CC1=NOC(COC2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=N2)=N1	REAL300020145806	0	44	-1.0	-47.22	370.27	0.76	-46.46
CC1=NOC(COC2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=N2)=N1	REAL300020145806	1	44	-1.0	-47.20	370.22	0.73	-46.47
O=C(CC1=CC=CC2=CN=CC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145809	0	41	-1.0	-50.63	332.52	5.83	-44.80
O=C(CC1=CC=CC2=CN=CC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145809	1	41	-1.0	-50.61	332.47	5.80	-44.81
O=C(C1=CN2CCOCC2=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145810	0	38	-1.0	-48.67	305.28	3.10	-45.57
O=C(C1=CN2CCOCC2=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145810	1	38	-1.0	-48.64	305.34	3.13	-45.51
CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C(C)N1C1CCCOC1	REAL300020145811	0	51	-1.0	-40.92	376.16	5.69	-35.23
CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C(C)N1C1CCCOC1	REAL300020145811	1	51	-1.0	-40.94	376.22	5.71	-35.23
CC1=C2C=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)NC2=C(F)C=C1	REAL300020145812	0	40	-1.0	-43.83	328.06	5.58	-38.25
CC1=C2C=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)NC2=C(F)C=C1	REAL300020145812	1	40	-1.0	-43.82	328.12	5.60	-38.22
O=C(C1=NC(C2CC2)=CS1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145813	0	36	-1.0	-39.46	306.10	3.54	-35.92
O=C(C1=NC(C2CC2)=CS1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145813	1	36	-1.0	-39.45	306.16	3.57	-35.88
CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C(C)N1CC1CCCOC1	REAL300020145814	0	54	-1.0	-45.59	401.95	6.52	-39.07
CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C(C)N1CC1CCCOC1	REAL300020145814	1	54	-1.0	-45.59	402.01	6.54	-39.05
CC1=NOC(C2(C(=O)N3CCCC(C4=N[N-]N=N4)C3)CCOCC2)=C1	REAL300020145815	0	46	-1.0	-42.17	348.47	3.52	-38.65
CC1=NOC(C2(C(=O)N3CCCC(C4=NN=N[N-]4)C3)CCOCC2)=C1	REAL300020145815	1	46	-1.0	-42.17	348.53	3.54	-38.63
CCN1C(=O)CO[C@H](C(=O)N2CCCC(C3=N[N-]N=N3)C2)[C@H]1C1=NC=CN1C	REAL300020145816	0	51	-1.0	-44.51	385.21	3.69	-40.82
CCN1C(=O)CO[C@H](C(=O)N2CCCC(C3=NN=N[N-]3)C2)[C@H]1C1=NC=CN1C	REAL300020145816	1	51	-1.0	-44.54	385.26	3.72	-40.82
CC1=CC(C)=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C)=C1Br	REAL300020145817	0	42	-1.0	-44.33	349.51	6.75	-37.58
CC1=CC(C)=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C)=C1Br	REAL300020145817	1	42	-1.0	-44.32	349.57	6.78	-37.54
O=C(C1=CC=CC=C1COCC1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145818	0	50	-1.0	-46.73	402.57	8.32	-38.41
O=C(C1=CC=CC=C1COCC1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145818	1	50	-1.0	-46.74	402.63	8.35	-38.39
O=C(C1=CC=CC(F)=C1OC(F)(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145819	0	37	-1.0	-52.37	325.10	4.61	-47.76
O=C(C1=CC=CC(F)=C1OC(F)(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145819	1	37	-1.0	-52.35	325.15	4.64	-47.71
O=C(C1=C(C2CC2)NC(C2CC2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145820	0	45	-1.0	-47.85	357.18	6.67	-41.18
O=C(C1=C(C2CC2)NC(C2CC2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145820	1	45	-1.0	-47.84	357.23	6.69	-41.15
CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145821	0	51	-1.0	-49.13	391.82	2.97	-46.16
CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145821	1	51	-1.0	-49.13	391.88	3.00	-46.13
O=C(C=CC1=CC(C(F)(F)F)=CC=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145822	0	40	-1.0	-46.84	356.41	7.36	-39.48
O=C(C=CC1=CC(C(F)(F)F)=CC=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145822	1	40	-1.0	-46.76	356.47	7.38	-39.38
O=C(C1C[N@H+](CC2=CC=CC=C2)CC12CCC2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145823	0	56	0.0	-70.06	412.25	8.88	-61.18
O=C(C1C[N@@H+](CC2=CC=CC=C2)CC12CCC2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145823	1	56	0.0	-69.85	411.97	8.89	-60.96
O=C(C1C[N@H+](CC2=CC=CC=C2)CC12CCC2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145823	1	56	0.0	-70.00	412.30	8.91	-61.09
O=C(C1C[N@@H+](CC2=CC=CC=C2)CC12CCC2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145823	1	56	0.0	-69.87	412.02	8.92	-60.95
CC(C)(C)OC1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL300020145824	0	45	-1.0	-44.79	327.28	4.50	-40.29
CC(C)(C)OC1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL300020145824	1	45	-1.0	-44.71	327.22	4.48	-40.23
CC(C)(C)OC(=O)C1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCSCC1	REAL300020145825	0	52	-1.0	-41.08	385.24	6.37	-34.71
CC(C)(C)OC(=O)C1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCSCC1	REAL300020145825	1	52	-1.0	-41.11	385.30	6.40	-34.71
COC1=CC=CC(C2=NOC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C2)=C1	REAL300020145826	0	43	-1.0	-45.47	355.49	4.95	-40.52
COC1=CC=CC(C2=NOC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C2)=C1	REAL300020145826	1	43	-1.0	-45.44	355.43	4.93	-40.51
O=C(CC1=CC2=CC=NC=C2C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145827	0	41	-1.0	-50.23	335.68	5.91	-44.32
O=C(CC1=CC2=CC=NC=C2C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145827	1	41	-1.0	-50.28	335.73	5.94	-44.34
N#CC1=CC=C(C2(C(=O)N3CCCC(C4=N[N-]N=N4)C3)CCCC2)C=C1	REAL300020145828	0	47	-1.0	-48.64	358.98	7.73	-40.91
N#CC1=CC=C(C2(C(=O)N3CCCC(C4=NN=N[N-]4)C3)CCCC2)C=C1	REAL300020145828	1	47	-1.0	-48.62	359.03	7.75	-40.87
N#CC1=CC=C(COCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020145829	0	41	-1.0	-53.31	350.00	6.24	-47.07
N#CC1=CC=C(COCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020145829	1	41	-1.0	-53.36	350.06	6.27	-47.09
COC1=CC(COCC(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=N1	REAL300020145830	0	43	-1.0	-54.15	356.27	2.58	-51.57
COC1=CC(COCC(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=N1	REAL300020145830	1	43	-1.0	-54.23	356.33	2.60	-51.63
COC1=CC=C(COCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=N1	REAL300020145831	0	43	-1.0	-53.94	356.28	2.58	-51.36
COC1=CC=C(COCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=N1	REAL300020145831	1	43	-1.0	-53.99	356.22	2.55	-51.44
O=C(COCC1=CC(=O)NC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145832	0	40	-1.0	-68.78	331.74	2.87	-65.91
O=C(COCC1=CC(=O)NC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145832	1	40	-1.0	-68.75	331.80	2.90	-65.85
O=C([C@@H]1CC=CC[C@H]1C(F)(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145833	0	40	-1.0	-46.94	319.85	5.59	-41.35
O=C([C@@H]1CC=CC[C@H]1C(F)(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145833	1	40	-1.0	-46.96	319.91	5.61	-41.35
CC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(F)=C1F	REAL300020145834	0	36	-1.0	-51.79	303.31	5.21	-46.58
CC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(F)=C1F	REAL300020145834	1	36	-1.0	-51.80	303.37	5.23	-46.57
O=C(C1=NC2=C(Br)C=NC=C2C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145835	0	37	-1.0	-46.34	326.65	4.55	-41.79
O=C(C1=NC2=C(Br)C=NC=C2C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145835	1	37	-1.0	-46.35	326.59	4.52	-41.83
CC(C)(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C(O)C1=CC(Cl)=CC(Cl)=C1	REAL300020145836	0	46	-1.0	-46.96	372.82	5.77	-41.19
CC(C)(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C(O)C1=CC(Cl)=CC(Cl)=C1	REAL300020145836	1	46	-1.0	-46.90	372.88	5.80	-41.10
O=C(CC1=CC(Cl)=CC(Cl)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145837	0	36	-1.0	-47.02	328.14	6.45	-40.57
O=C(CC1=CC(Cl)=CC(Cl)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145837	1	36	-1.0	-46.99	328.19	6.47	-40.52
O=C(C1=NN(C2=CC=C([N+](=O)[O-])C=C2F)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145838	0	42	-1.0	-39.83	360.01	6.83	-33.00
O=C(C1=NN(C2=CC=C([N+](=O)[O-])C=C2F)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145838	1	42	-1.0	-39.80	359.96	6.81	-32.99
CSC1=CC=C(C=CC(=O)N2CCCC(C3=N[N-]N=N3)C2)S1	REAL300020145839	0	38	-1.0	-38.21	336.30	6.21	-32.00
CSC1=CC=C(C=CC(=O)N2CCCC(C3=NN=N[N-]3)C2)S1	REAL300020145839	1	38	-1.0	-38.23	336.35	6.23	-32.00
CC(=O)N[C@H](CC(C)C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145840	0	45	-1.0	-55.12	342.97	4.11	-51.01
CC(=O)N[C@H](CC(C)C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145840	1	45	-1.0	-55.17	343.02	4.13	-51.04
CC1CC(=O)NC2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C2N1	REAL300020145841	0	46	-1.0	-39.01	361.99	2.44	-36.57
CC1CC(=O)NC2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C2N1	REAL300020145841	1	46	-1.0	-38.97	362.05	2.46	-36.51
CNC1=NC(C)=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145842	0	40	-1.0	-45.35	321.02	3.41	-41.94
CNC1=NC(C)=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145842	1	40	-1.0	-45.36	321.07	3.44	-41.92
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145842	1	41	0.0	-58.75	322.33	3.77	-54.98
O=C(C1CCCN1CC1=CC=C(Cl)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145843	0	48	-1.0	-49.26	385.06	5.84	-43.42
O=C(C1CCCN1CC1=CC=C(Cl)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145843	1	48	-1.0	-49.31	385.12	5.87	-43.44
CC(C)(C)OC(=O)NC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=N1	REAL300020145844	0	49	-1.0	-53.52	386.37	4.31	-49.21
CC(C)(C)OC(=O)NC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=N1	REAL300020145844	1	49	-1.0	-53.56	386.42	4.34	-49.22
O=C(C1=NOC(C2=CC=C(Cl)C=C2Cl)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145845	0	39	-1.0	-41.90	358.98	7.08	-34.82
O=C(C1=NOC(C2=CC=C(Cl)C=C2Cl)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145845	1	39	-1.0	-41.93	358.92	7.05	-34.88
CC1=CN2C=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)N=C2C=C1	REAL300020145846	0	39	-1.0	-47.35	318.63	6.42	-40.93
CC1=CN2C=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)N=C2C=C1	REAL300020145846	1	39	-1.0	-47.36	318.58	6.40	-40.96
O=C(C1=C(Br)C2=CC=CC=C2O1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145847	0	36	-1.0	-44.24	316.98	5.78	-38.46
O=C(C1=C(Br)C2=CC=CC=C2O1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145847	1	36	-1.0	-44.22	317.03	5.80	-38.42
O=C(C1=CN=CC(N2CCCC2)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145848	0	43	-1.0	-40.85	338.21	3.12	-37.73
O=C(C1=CN=CC(N2CCCC2)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145848	1	43	-1.0	-40.91	338.15	3.09	-37.82
CN1C=C(I)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL300020145849	0	33	-1.0	-47.76	297.96	3.93	-43.83
CN1C=C(I)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL300020145849	1	33	-1.0	-47.74	297.90	3.91	-43.83
CC1=NC2=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=NN2C(C(F)(F)F)=C1	REAL300020145850	0	41	-1.0	-48.06	354.20	5.32	-42.74
CC1=NC2=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=NN2C(C(F)(F)F)=C1	REAL300020145850	1	41	-1.0	-48.07	354.25	5.35	-42.72
O=C(COC1=CC=C(Br)C=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145851	0	36	-1.0	-46.68	322.47	3.39	-43.29
O=C(COC1=CC=C(Br)C=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145851	1	36	-1.0	-46.70	322.41	3.37	-43.33
O=C(C1=CC2=NC=CC=C2S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145852	0	35	-1.0	-41.14	302.31	3.99	-37.15
O=C(C1=CC2=NC=CC=C2S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145852	1	35	-1.0	-41.19	302.25	3.96	-37.23
O=C(C1CCCN2C=C(C(F)(F)F)N=C12)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145853	0	43	-1.0	-50.35	348.77	6.21	-44.14
O=C(C1CCCN2C=C(C(F)(F)F)N=C12)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145853	1	43	-1.0	-50.31	348.83	6.24	-44.07
O=C(CC1=CC(Cl)=CC2=CC=CC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145854	0	42	-1.0	-48.65	354.03	8.07	-40.58
O=C(CC1=CC(Cl)=CC2=CC=CC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145854	1	42	-1.0	-48.66	354.09	8.09	-40.57
COC1=CC=C(C2=C(CC(=O)N3CCCC(C4=NN=N[N-]4)C3)SC(C)=N2)C=C1	REAL300020145855	0	49	-1.0	-49.20	402.09	5.88	-43.32
COC1=CC=C(C2=C(CC(=O)N3CCCC(C4=N[N-]N=N4)C3)SC(C)=N2)C=C1	REAL300020145855	1	49	-1.0	-49.16	402.03	5.85	-43.31
CC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1N1CCOCC1	REAL300020145856	0	49	-1.0	-48.55	378.26	4.67	-43.88
CC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1N1CCOCC1	REAL300020145856	1	49	-1.0	-48.57	378.31	4.69	-43.88
O=C(C1=CC(Cl)=CC(Cl)=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145857	0	33	-1.0	-44.99	310.66	5.54	-39.45
O=C(C1=CC(Cl)=CC(Cl)=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145857	1	33	-1.0	-44.97	310.71	5.57	-39.40
O=C(C1=CC=NN1CC1CCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145858	0	43	-1.0	-43.03	331.63	5.09	-37.94
O=C(C1=CC=NN1CC1CCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145858	1	43	-1.0	-43.07	331.57	5.06	-38.01
COC1=CC=C2C=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)SC2=C1	REAL300020145859	0	40	-1.0	-42.37	336.83	5.17	-37.20
COC1=CC=C2C=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)SC2=C1	REAL300020145859	1	40	-1.0	-42.33	336.88	5.20	-37.13
COC1=CC=C2C(CC(=O)N3CCCC(C4=N[N-]N=N4)C3)=COC2=C1C	REAL300020145860	0	46	-1.0	-52.19	371.98	5.84	-46.35
COC1=CC=C2C(CC(=O)N3CCCC(C4=NN=N[N-]4)C3)=COC2=C1C	REAL300020145860	1	46	-1.0	-52.18	372.04	5.86	-46.32
CC1=CC(OC2=CC=CC=C2)=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145861	0	47	-1.0	-44.82	378.75	7.91	-36.91
CC1=CC(OC2=CC=CC=C2)=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145861	1	47	-1.0	-44.83	378.81	7.93	-36.90
CC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)OC2=CC=CC=C2NC1=O	REAL300020145862	0	42	-1.0	-42.63	333.58	4.09	-38.54
CC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)OC2=CC=CC=C2NC1=O	REAL300020145862	1	42	-1.0	-42.63	333.64	4.12	-38.51
O=C(CC1=CSC(COC2=CC=CC=C2)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145863	0	46	-1.0	-57.17	389.99	5.90	-51.27
O=C(CC1=CSC(COC2=CC=CC=C2)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145863	1	46	-1.0	-57.17	390.05	5.92	-51.25
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=NC2=C(Cl)C=CC=C12	REAL300020145864	0	41	-1.0	-45.43	342.67	5.82	-39.61
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=NC2=C(Cl)C=CC=C12	REAL300020145864	1	41	-1.0	-45.41	342.73	5.85	-39.56
CC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1C1=CN(C)N=C1	REAL300020145865	0	46	-1.0	-49.23	370.64	6.29	-42.94
CC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1C1=CN(C)N=C1	REAL300020145865	1	46	-1.0	-49.26	370.59	6.26	-43.00
CC(C)(C)C1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC(Cl)=N1	REAL300020145866	0	44	-1.0	-41.72	361.05	5.71	-36.01
CC(C)(C)C1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC(Cl)=N1	REAL300020145866	1	44	-1.0	-41.74	360.99	5.69	-36.05
O=C(C=CC1=CC=C(F)C2=CC=CC=C12)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145867	0	43	-1.0	-48.14	352.27	8.12	-40.02
O=C(C=CC1=CC=C(F)C2=CC=CC=C12)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145867	1	43	-1.0	-48.13	352.33	8.15	-39.98
O=C(C1=CC(Br)=CN=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145868	0	32	-1.0	-45.57	294.09	3.28	-42.29
O=C(C1=CC(Br)=CN=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145868	1	32	-1.0	-45.56	294.03	3.25	-42.31
CCC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(Cl)=NN1	REAL300020145869	0	36	-1.0	-46.22	314.70	2.83	-43.39
CCC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(Cl)=NN1	REAL300020145869	1	36	-1.0	-46.24	314.75	2.86	-43.38
CC(C)(C)OC(=O)N1CCC(C(F)C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020145870	0	53	-1.0	-41.18	406.68	5.51	-35.67
CC(C)(C)OC(=O)N1CCC(C(F)C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020145870	1	53	-1.0	-41.21	406.73	5.54	-35.67
CC1CN(C2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C2)CC(C)O1	REAL300020145871	0	52	-1.0	-46.11	396.69	4.75	-41.36
CC1CN(C2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C2)CC(C)O1	REAL300020145871	1	52	-1.0	-46.12	396.74	4.77	-41.35
O=C(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC(Cl)=CC(Cl)=C1	REAL300020145872	0	35	-1.0	-41.24	330.16	5.45	-35.79
O=C(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC(Cl)=CC(Cl)=C1	REAL300020145872	1	35	-1.0	-41.24	330.22	5.48	-35.76
O=C(C1=C2C(=O)CCC2=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145873	0	39	-1.0	-60.34	312.83	6.73	-53.61
O=C(C1=C2C(=O)CCC2=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145873	1	39	-1.0	-60.32	312.88	6.75	-53.57
CCOC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145874	0	50	-1.0	-44.36	396.74	4.49	-39.87
CCOC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145874	1	50	-1.0	-44.35	396.80	4.51	-39.84
CC1(C)CCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C2=CC=CC=C2)C1	REAL300020145875	0	55	-1.0	-47.43	391.83	8.96	-38.47
CC1(C)CCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C2=CC=CC=C2)C1	REAL300020145875	1	55	-1.0	-47.39	391.89	8.98	-38.41
O=C(C1=CC(C2=CNC3=NC=CC3=C2)=CC=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145876	0	45	-1.0	-46.75	372.58	6.51	-40.24
O=C(C1=CC(C2=CNC3=NC=CC3=C2)=CC=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145876	1	45	-1.0	-46.73	372.64	6.53	-40.20
O=C(C1=CC(C2=CN=C3NC=CC3=C2)=CC=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145876	1	45	-1.0	-45.83	365.77	6.19	-39.64
O=C(C1=CC(C2=CN=C3NC=CC3=C2)=CC=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145876	1	45	-1.0	-45.80	365.82	6.22	-39.58
CC1=NC2=C(Cl)C=CC=C2C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145877	0	41	-1.0	-47.31	346.43	6.00	-41.31
CC1=NC2=C(Cl)C=CC=C2C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145877	1	41	-1.0	-47.30	346.48	6.03	-41.27
O=C(C1=CNN=C1C1=CC=CO1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145878	0	37	-1.0	-53.66	312.44	3.18	-50.48
O=C(C1=CNN=C1C1=CC=CO1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145878	1	37	-1.0	-53.66	312.49	3.21	-50.45
CN1C(=O)COC2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C21	REAL300020145879	0	42	-1.0	-48.36	337.71	3.42	-44.94
CN1C(=O)COC2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C21	REAL300020145879	1	42	-1.0	-48.40	337.77	3.44	-44.96
O=C(C1=CC=CC(C(F)F)=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145881	0	36	-1.0	-53.20	304.53	5.30	-47.90
O=C(C1=CC=CC(C(F)F)=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145881	1	36	-1.0	-53.22	304.59	5.32	-47.90
CC1(Br)CC1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145882	0	33	-1.0	-47.98	282.40	4.47	-43.51
CC1(Br)CC1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145882	1	33	-1.0	-47.95	282.46	4.50	-43.45
O=C(C1=CN(CC2CCOC2)N=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145883	0	43	-1.0	-48.60	345.72	2.30	-46.30
O=C(C1=CN(CC2CCOC2)N=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145883	1	43	-1.0	-48.58	345.67	2.27	-46.31
O=C(C1CC(C2=CC=CC(Cl)=C2F)=NO1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145884	0	41	-1.0	-60.13	355.43	6.56	-53.57
O=C(C1CC(C2=CC=CC(Cl)=C2F)=NO1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145884	1	41	-1.0	-60.09	355.49	6.59	-53.50
O=C(C1=CC(F)=C(Br)C=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145885	0	33	-1.0	-43.76	303.73	5.16	-38.60
O=C(C1=CC(F)=C(Br)C=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145885	1	33	-1.0	-43.78	303.79	5.19	-38.59
O=C(CCC1=NN=C(C(F)F)O1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145886	0	37	-1.0	-47.51	321.35	-0.56	-48.07
O=C(CCC1=NN=C(C(F)F)O1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145886	1	37	-1.0	-47.49	321.41	-0.53	-48.02
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C2=CC=CC=C2)CC2(CCC2)C1	REAL300020145887	0	50	-1.0	-47.50	375.83	8.41	-39.09
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C2=CC=CC=C2)CC2(CCC2)C1	REAL300020145887	1	50	-1.0	-47.44	375.89	8.43	-39.01
CC1=CN(C(C)(C)C(=O)N2CCCC(C3=NN=N[N-]3)C2)N=C1C(F)(F)F	REAL300020145888	0	45	-1.0	-58.41	358.64	5.02	-53.39
CC1=CN(C(C)(C)C(=O)N2CCCC(C3=N[N-]N=N3)C2)N=C1C(F)(F)F	REAL300020145888	1	45	-1.0	-58.35	358.58	5.00	-53.35
CC(C)(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1CCCCO1	REAL300020145889	0	46	-1.0	-37.46	330.37	4.87	-32.59
CC(C)(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1CCCCO1	REAL300020145889	1	46	-1.0	-37.45	330.43	4.90	-32.55
CN1N=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C2=CC=CC=C21	REAL300020145890	0	39	-1.0	-44.34	318.47	5.00	-39.34
CN1N=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C2=CC=CC=C21	REAL300020145890	1	39	-1.0	-44.34	318.41	4.98	-39.36
O=C(C1CCC1C1=CC=C(F)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145891	0	43	-1.0	-49.49	335.97	7.12	-42.37
O=C(C1CCC1C1=CC=C(F)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145891	1	43	-1.0	-49.46	336.03	7.15	-42.31
CC1=CC(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C(C)N1C1=CC(C)=CC(C)=C1	REAL300020145892	0	56	-1.0	-51.02	445.06	10.81	-40.21
CC1=CC(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)=C(C)N1C1=CC(C)=CC(C)=C1	REAL300020145892	1	56	-1.0	-51.05	445.12	10.83	-40.22
CN1C(=O)CN(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C1=O	REAL300020145893	0	38	-1.0	-55.27	317.45	2.34	-52.93
CN1C(=O)CN(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C1=O	REAL300020145893	1	38	-1.0	-55.26	317.50	2.37	-52.89
O=C([C@@H]1CCO[C@H]1C1=CC=C(Cl)C(F)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145894	0	44	-1.0	-48.93	366.97	5.99	-42.94
O=C([C@@H]1CCO[C@H]1C1=CC=C(Cl)C(F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145894	1	44	-1.0	-48.94	367.03	6.01	-42.93
CC(C)(C)OC(=O)N1CCOC(C)(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020145895	0	54	-1.0	-52.62	400.48	4.32	-48.30
CC(C)(C)OC(=O)N1CCOC(C)(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020145895	1	54	-1.0	-52.71	400.54	4.34	-48.37
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C2=CC=C(Cl)C=C2Cl)CCCC1	REAL300020145896	0	46	-1.0	-41.69	354.02	7.93	-33.76
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C2=CC=C(Cl)C=C2Cl)CCCC1	REAL300020145896	1	46	-1.0	-41.69	354.07	7.95	-33.74
CC(C)C(C)(CC1=CC=CC=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145897	0	51	-1.0	-48.03	360.59	7.36	-40.67
CC(C)C(C)(CC1=CC=CC=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145897	1	51	-1.0	-47.97	360.65	7.38	-40.59
C[C@@H]1C[C@@]1(C(=O)OC(C)(C)C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145898	0	48	-1.0	-43.16	369.44	6.22	-36.94
C[C@@H]1C[C@@]1(C(=O)OC(C)(C)C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145898	1	48	-1.0	-43.18	369.50	6.25	-36.93
CSCCCCCCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145899	0	45	-1.0	-47.01	365.39	6.80	-40.21
CSCCCCCCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145899	1	45	-1.0	-46.99	365.44	6.83	-40.16
O=C([C@@H]1C[C@H]1C1=CSC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145900	0	37	-1.0	-46.08	312.80	5.72	-40.36
O=C([C@@H]1C[C@H]1C1=CSC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145900	1	37	-1.0	-46.10	312.86	5.74	-40.36
O=C(C1=C2CCCCN2C(C(F)(F)F)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145901	0	43	-1.0	-44.55	349.43	6.21	-38.34
O=C(C1=C2CCCCN2C(C(F)(F)F)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145901	1	43	-1.0	-44.53	349.37	6.18	-38.35
CCC1=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C2=CC=CC=C2O1	REAL300020145902	0	45	-1.0	-51.24	361.43	7.32	-43.92
CCC1=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C2=CC=CC=C2O1	REAL300020145902	1	45	-1.0	-51.25	361.49	7.35	-43.90
O=C(C=CSC1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145903	0	38	-1.0	-39.10	329.11	6.50	-32.60
O=C(C=CSC1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145903	1	38	-1.0	-39.10	329.17	6.52	-32.58
CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C(C)N1C1=CN=CC=N1	REAL300020145904	0	45	-1.0	-49.63	361.98	5.49	-44.14
CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C(C)N1C1=CN=CC=N1	REAL300020145904	1	45	-1.0	-49.66	361.92	5.46	-44.20
O=C([N-]CC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)O1)C(F)(F)F	REAL300020145905	0	39	-2.0	-76.60	350.31	0.74	-75.86
O=C([N-]CC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)O1)C(F)(F)F	REAL300020145905	1	39	-2.0	-76.62	350.36	0.77	-75.85
C=C(Cl)CC(NC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145906	0	50	-1.0	-41.64	399.98	3.76	-37.88
C=C(Cl)CC(NC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145906	1	50	-1.0	-41.70	400.04	3.79	-37.91
CC1=CN(C2CCOCC2)N=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145907	0	47	-1.0	-47.11	363.59	4.35	-42.76
CC1=CN(C2CCOCC2)N=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145907	1	47	-1.0	-47.14	363.54	4.32	-42.82
COC1=CC=C(Cl)C(C2=NOC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C2)=C1	REAL300020145908	0	43	-1.0	-43.88	367.93	5.62	-38.26
COC1=CC=C(Cl)C(C2=NOC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C2)=C1	REAL300020145908	1	43	-1.0	-43.89	367.87	5.60	-38.29
CCN1C(=O)CO[C@H](C(=O)N2CCCC(C3=N[N-]N=N3)C2)[C@H]1C1=CC=NN1C	REAL300020145909	0	51	-1.0	-46.14	385.19	3.55	-42.59
CCN1C(=O)CO[C@H](C(=O)N2CCCC(C3=NN=N[N-]3)C2)[C@H]1C1=CC=NN1C	REAL300020145909	1	51	-1.0	-46.13	385.25	3.57	-42.56
O=C(C1=CC=NC(Cl)=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145910	0	32	-1.0	-46.62	295.95	3.56	-43.06
O=C(C1=CC=NC(Cl)=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145910	1	32	-1.0	-46.63	295.89	3.53	-43.10
O=C(CC(O)C(Cl)(Cl)Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145911	0	33	-1.0	-45.10	309.46	2.58	-42.52
O=C(CC(O)C(Cl)(Cl)Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145911	1	33	-1.0	-45.12	309.52	2.60	-42.52
O=C(C1=CN=C(C2CC2)NC1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145912	0	39	-1.0	-54.72	325.85	2.97	-51.75
O=C(C1=CN=C(C2CC2)NC1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145912	1	39	-1.0	-54.72	325.90	3.00	-51.72
O=C(CC1C(=O)N=CNC1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145913	0	36	-1.0	-62.25	297.55	1.50	-60.75
O=C(CC1C(=O)N=CNC1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145913	1	36	-1.0	-62.24	297.61	1.52	-60.72
O=C(C1=CC(Cl)=C(F)C([N+](=O)[O-])=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145914	0	35	-1.0	-43.68	319.43	5.63	-38.05
O=C(C1=CC(Cl)=C(F)C([N+](=O)[O-])=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145914	1	35	-1.0	-43.64	319.49	5.65	-37.99
CC(C)(C)OC(=O)N1CCCC(O)(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020145915	0	57	-1.0	-53.00	425.05	4.31	-48.69
CC(C)(C)OC(=O)N1CCCC(O)(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020145915	1	57	-1.0	-53.00	425.11	4.33	-48.67
O=C(C1=CC([N+](=O)[O-])=CC=C1N1C=NN=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145916	0	40	-1.0	-61.59	342.49	5.51	-56.08
O=C(C1=CC([N+](=O)[O-])=CC=C1N1C=NN=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145916	1	40	-1.0	-61.67	342.43	5.48	-56.19
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C2=NC=CC3=CC=CC=C32)CC1	REAL300020145917	0	45	-1.0	-46.30	358.42	7.13	-39.17
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C2=NC=CC3=CC=CC=C32)CC1	REAL300020145917	1	45	-1.0	-46.31	358.37	7.11	-39.20
CC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1C(F)(F)F	REAL300020145918	0	39	-1.0	-47.05	324.83	5.96	-41.09
CC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1C(F)(F)F	REAL300020145918	1	39	-1.0	-47.02	324.89	5.99	-41.03
O=C(C1=CC(OCC2=CC=CC=C2)=CS1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145919	0	44	-1.0	-38.78	372.43	6.71	-32.07
O=C(C1=CC(OCC2=CC=CC=C2)=CS1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145919	1	44	-1.0	-38.81	372.49	6.74	-32.07
CCOC1=CC=CC(CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020145920	0	46	-1.0	-47.11	367.43	6.47	-40.64
CCOC1=CC=CC(CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020145920	1	46	-1.0	-47.11	367.49	6.49	-40.62
CCN(C(=O)OC(C)(C)C)C(C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145921	0	52	-1.0	-44.09	389.87	5.43	-38.66
CCN(C(=O)OC(C)(C)C)C(C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145921	1	52	-1.0	-44.08	389.93	5.46	-38.62
CC1=CN2CCC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)CC2=N1	REAL300020145922	0	43	-1.0	-51.67	336.42	5.39	-46.28
CC1=CN2CCC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)CC2=N1	REAL300020145922	1	43	-1.0	-51.68	336.47	5.42	-46.26
CC1=C(F)C=C(S(N)(=O)=O)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145923	0	41	-1.0	-47.26	349.59	0.03	-47.23
CC1=C(F)C=C(S(N)(=O)=O)C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145923	1	41	-1.0	-47.26	349.64	0.06	-47.20
O=C(CC1=C2CCCCN2N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145924	0	43	-1.0	-52.05	338.41	4.83	-47.22
O=C(CC1=C2CCCCN2N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145924	1	43	-1.0	-52.05	338.46	4.86	-47.19
CC1=CN2C=C(CC(=O)N3CCCC(C4=N[N-]N=N4)C3)N=C2S1	REAL300020145925	0	39	-1.0	-59.53	333.13	6.07	-53.46
CC1=CN2C=C(CC(=O)N3CCCC(C4=NN=N[N-]4)C3)N=C2S1	REAL300020145925	1	39	-1.0	-59.53	333.18	6.10	-53.43
C[N@@H+]1CCCC(O)(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020145926	0	46	0.0	-67.17	337.76	3.63	-63.54
C[N@H+]1CCCC(O)(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020145926	1	46	0.0	-67.93	328.01	3.46	-64.47
C[N@@H+]1CCCC(O)(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020145926	1	46	0.0	-67.20	337.82	3.65	-63.55
C[N@H+]1CCCC(O)(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020145926	1	46	0.0	-67.91	328.07	3.48	-64.43
COC1=CC(F)=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(Cl)=C1	REAL300020145927	0	37	-1.0	-46.55	325.77	4.38	-42.17
COC1=CC(F)=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(Cl)=C1	REAL300020145927	1	37	-1.0	-46.53	325.83	4.41	-42.12
CC1(C)OC(=O)C2=CC=CC=C2C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145928	0	46	-1.0	-56.43	356.87	6.62	-49.81
CC1(C)OC(=O)C2=CC=CC=C2C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145928	1	46	-1.0	-56.45	356.92	6.65	-49.80
O=C(C1=C(C(F)F)N=C2C=CC=CN21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145929	0	39	-1.0	-50.76	336.02	5.77	-44.99
O=C(C1=C(C(F)F)N=C2C=CC=CN21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145929	1	39	-1.0	-50.74	336.07	5.79	-44.95
O=C(C1=CC(C2=CC=CC(Cl)=C2F)=NO1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145930	0	39	-1.0	-47.83	346.66	6.28	-41.55
O=C(C1=CC(C2=CC=CC(Cl)=C2F)=NO1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145930	1	39	-1.0	-47.85	346.61	6.25	-41.60
CC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)COC2=CC=CC=C2O1	REAL300020145931	0	42	-1.0	-40.51	330.27	4.86	-35.65
CC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)COC2=CC=CC=C2O1	REAL300020145931	1	42	-1.0	-40.55	330.33	4.88	-35.67
COC(=O)C=CC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020145932	0	43	-1.0	-48.71	357.46	6.36	-42.35
COC(=O)C=CC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020145932	1	43	-1.0	-48.75	357.52	6.38	-42.37
COC1=CN=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1C	REAL300020145933	0	39	-1.0	-44.53	311.72	2.53	-42.00
COC1=CN=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1C	REAL300020145933	1	39	-1.0	-44.54	311.78	2.55	-41.99
O=C(CC1CC2=CC=CC=C2O1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145934	0	41	-1.0	-53.47	329.49	5.85	-47.62
O=C(CC1CC2=CC=CC=C2O1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145934	1	41	-1.0	-53.44	329.54	5.87	-47.57
CSC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=C1Br	REAL300020145935	0	37	-1.0	-44.00	329.25	5.97	-38.03
CSC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=C1Br	REAL300020145935	1	37	-1.0	-44.01	329.31	6.00	-38.01
CC(C)CC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCNC1=O	REAL300020145936	0	46	-1.0	-53.97	332.63	2.04	-51.93
CC(C)CC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCNC1=O	REAL300020145936	1	46	-1.0	-53.97	332.69	2.07	-51.90
CC(C)(C)OC(=O)CN1C=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N=N1	REAL300020145937	0	47	-1.0	-53.64	377.64	4.37	-49.27
CC(C)(C)OC(=O)CN1C=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N=N1	REAL300020145937	1	47	-1.0	-53.58	377.59	4.35	-49.23
CC(C)(C)OC(=O)C1=CC=CC=C1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145938	0	51	-1.0	-50.70	396.93	7.85	-42.85
CC(C)(C)OC(=O)C1=CC=CC=C1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145938	1	51	-1.0	-50.70	396.98	7.88	-42.82
O=C(CC1=CC=C(O)C(Cl)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145939	0	37	-1.0	-49.91	321.75	3.15	-46.76
O=C(CC1=CC=C(O)C(Cl)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145939	1	37	-1.0	-49.90	321.81	3.17	-46.73
O=C(C=CC1=CC=CC=C1OCC1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145940	0	51	-1.0	-52.37	413.62	9.29	-43.08
O=C(C=CC1=CC=CC=C1OCC1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145940	1	51	-1.0	-52.31	413.68	9.32	-42.99
CC1=CC(C)=C(C=CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1C	REAL300020145941	0	46	-1.0	-38.88	359.40	7.65	-31.23
CC1=CC(C)=C(C=CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1C	REAL300020145941	1	46	-1.0	-38.92	359.45	7.68	-31.24
CC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCC(F)(F)CC1	REAL300020145942	0	42	-1.0	-46.07	310.46	4.91	-41.16
CC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCC(F)(F)CC1	REAL300020145942	1	42	-1.0	-46.09	310.51	4.93	-41.16
O=C(C=CC1=CSC(C(F)(F)F)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145943	0	37	-1.0	-36.33	334.10	6.07	-30.26
O=C(C=CC1=CSC(C(F)(F)F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145943	1	37	-1.0	-36.36	334.15	6.10	-30.26
O=C([C@@H]1CCCC[C@@H]1C(F)(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145944	0	42	-1.0	-47.04	319.70	5.58	-41.46
O=C([C@@H]1CCCC[C@@H]1C(F)(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145944	1	42	-1.0	-47.06	319.76	5.60	-41.46
O=C(CC1=CSC(CCC(F)(F)F)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145945	0	41	-1.0	-51.42	361.24	5.23	-46.19
O=C(CC1=CSC(CCC(F)(F)F)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145945	1	41	-1.0	-51.45	361.30	5.26	-46.19
O=C(C1C2CC3=CC(Br)=CC=C3C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145946	0	41	-1.0	-49.17	342.26	7.82	-41.35
O=C(C1C2CC3=CC(Br)=CC=C3C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145946	1	41	-1.0	-49.16	342.32	7.85	-41.31
O=C([C@@H]1C[C@H]1C1=C(F)C=CC=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145947	0	40	-1.0	-47.39	338.78	7.13	-40.26
O=C([C@@H]1C[C@H]1C1=C(F)C=CC=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145947	1	40	-1.0	-47.44	338.84	7.15	-40.29
CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)N1C=CC(C(F)(F)F)=N1	REAL300020145948	0	39	-1.0	-48.81	334.30	4.06	-44.75
CC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)N1C=CC(C(F)(F)F)=N1	REAL300020145948	1	39	-1.0	-48.82	334.24	4.04	-44.78
CC1=CC=CC(COC(C)C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020145949	0	46	-1.0	-51.23	365.92	6.97	-44.26
CC1=CC=CC(COC(C)C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020145949	1	46	-1.0	-51.18	365.98	6.99	-44.19
O=C(C=CC1=CC=CC=C1C(F)(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145950	0	40	-1.0	-38.73	337.03	6.75	-31.98
O=C(C=CC1=CC=CC=C1C(F)(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145950	1	40	-1.0	-38.71	337.09	6.78	-31.93
O=C(C=CC1=CC=C2NC=CC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145951	0	41	-1.0	-50.48	334.79	5.97	-44.51
O=C(C=CC1=CC=C2NC=CC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145951	1	41	-1.0	-50.48	334.85	6.00	-44.48
CC(C)(C)OC(=O)N1CCCC(C=CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020145952	0	57	-1.0	-43.41	433.44	6.99	-36.42
CC(C)(C)OC(=O)N1CCCC(C=CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020145952	1	57	-1.0	-43.40	433.50	7.02	-36.38
COC(=O)C1=COC(C=CC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020145953	0	40	-1.0	-50.42	342.88	4.82	-45.60
COC(=O)C1=COC(C=CC(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020145953	1	40	-1.0	-50.42	342.94	4.84	-45.58
O=C(C1=CN(CC2CCCC2)N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145954	0	46	-1.0	-49.44	358.90	5.71	-43.73
O=C(C1=CN(CC2CCCC2)N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145954	1	46	-1.0	-49.39	358.84	5.69	-43.70
COCCN1C=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=N1	REAL300020145955	0	40	-1.0	-48.82	327.44	2.09	-46.73
COCCN1C=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=N1	REAL300020145955	1	40	-1.0	-48.83	327.38	2.07	-46.76
COCCN1N=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1C	REAL300020145956	0	43	-1.0	-45.27	347.76	2.63	-42.64
COCCN1N=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1C	REAL300020145956	1	43	-1.0	-45.26	347.82	2.66	-42.60
CCN1C(=O)CO[C@H](C(=O)N2CCCC(C3=N[N-]N=N3)C2)[C@H]1C1=CC=CC=C1	REAL300020145957	0	51	-1.0	-47.26	386.04	5.18	-42.08
CCN1C(=O)CO[C@H](C(=O)N2CCCC(C3=NN=N[N-]3)C2)[C@H]1C1=CC=CC=C1	REAL300020145957	1	51	-1.0	-47.24	386.10	5.21	-42.03
CCOC(=O)N[C@H](CC1=CC=CC=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145958	0	50	-1.0	-44.27	397.94	4.55	-39.72
CCOC(=O)N[C@H](CC1=CC=CC=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145958	1	50	-1.0	-44.30	398.00	4.57	-39.73
CC1(C)[C@H](C(=O)N2CCCC(C3=N[N-]N=N3)C2)[C@H]1C1=CC=CC=C1	REAL300020145959	0	46	-1.0	-46.72	357.50	7.64	-39.08
CC1(C)[C@H](C(=O)N2CCCC(C3=NN=N[N-]3)C2)[C@H]1C1=CC=CC=C1	REAL300020145959	1	46	-1.0	-46.74	357.56	7.66	-39.08
COC1=CC(C)=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1C	REAL300020145960	0	43	-1.0	-46.92	337.63	5.10	-41.82
COC1=CC(C)=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1C	REAL300020145960	1	43	-1.0	-46.97	337.68	5.12	-41.85
O=C(CCC1=CC=C(F)C2=C1CCCC2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145961	0	49	-1.0	-45.20	377.64	8.52	-36.68
O=C(CCC1=CC=C(F)C2=C1CCCC2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145961	1	49	-1.0	-45.23	377.70	8.55	-36.68
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)OC(CNC(=O)OC(C)(C)C)=C1	REAL300020145962	0	53	-1.0	-45.17	417.47	4.00	-41.17
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)OC(CNC(=O)OC(C)(C)C)=C1	REAL300020145962	1	53	-1.0	-45.20	417.53	4.03	-41.17
CC(C)(C)OC(=O)NCC1=NC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=N1	REAL300020145963	0	51	-1.0	-44.76	408.49	2.01	-42.75
CC(C)(C)OC(=O)NCC1=NC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=N1	REAL300020145963	1	51	-1.0	-44.82	408.55	2.03	-42.79
O=C(CC1(C2=CC=CC=C2)CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145964	0	43	-1.0	-48.01	338.84	7.22	-40.79
O=C(CC1(C2=CC=CC=C2)CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145964	1	43	-1.0	-48.03	338.89	7.24	-40.79
O=C(CC1=COC2=CC(Cl)=CC=C12)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145965	0	39	-1.0	-49.77	339.22	6.31	-43.46
O=C(CC1=COC2=CC(Cl)=CC=C12)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145965	1	39	-1.0	-49.76	339.28	6.34	-43.42
CCC1=C2C=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)NC2=CC=C1	REAL300020145966	0	43	-1.0	-45.33	343.28	6.29	-39.04
CCC1=C2C=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)NC2=CC=C1	REAL300020145966	1	43	-1.0	-45.29	343.34	6.31	-38.98
O=C([C@@H]1OCCO[C@@H]1C(F)(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145967	0	38	-1.0	-47.58	293.71	2.70	-44.88
O=C([C@@H]1OCCO[C@@H]1C(F)(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145967	1	38	-1.0	-47.59	293.77	2.73	-44.86
O=C(CCC1=CC=C(F)C2=CC=CC=C12)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145968	0	45	-1.0	-45.97	364.14	8.41	-37.56
O=C(CCC1=CC=C(F)C2=CC=CC=C12)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145968	1	45	-1.0	-45.97	364.20	8.44	-37.53
CC(C)(C)OC(=O)NCC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCCOC1	REAL300020145969	0	57	-1.0	-50.52	416.08	3.38	-47.14
CC(C)(C)OC(=O)NCC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCCOC1	REAL300020145969	1	57	-1.0	-50.54	416.14	3.40	-47.14
CCOC(=O)C1(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)CCOCC1	REAL300020145970	0	49	-1.0	-54.46	371.49	5.25	-49.21
CCOC(=O)C1(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)CCOCC1	REAL300020145970	1	49	-1.0	-54.46	371.55	5.27	-49.19
O=C(C1=CC(O)=CC(Br)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145971	0	34	-1.0	-45.89	302.26	2.18	-43.71
O=C(C1=CC(O)=CC(Br)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145971	1	34	-1.0	-45.87	302.32	2.21	-43.66
CCC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=C(Br)C=C1	REAL300020145972	0	42	-1.0	-46.33	352.32	7.12	-39.21
CCC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=C(Br)C=C1	REAL300020145972	1	42	-1.0	-46.30	352.38	7.14	-39.16
O=C(C1C2CC3=CC(Cl)=CC=C3C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145973	0	41	-1.0	-49.20	337.69	7.72	-41.48
O=C(C1C2CC3=CC(Cl)=CC=C3C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145973	1	41	-1.0	-49.22	337.75	7.75	-41.47
O=C(CCCC1=CC=C2OCCCOC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145974	0	51	-1.0	-51.79	400.44	6.99	-44.80
O=C(CCCC1=CC=C2OCCCOC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145974	1	51	-1.0	-51.79	400.50	7.02	-44.77
COC1=CC=C(C2=CN=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C2)C(C)=C1	REAL300020145975	0	49	-1.0	-39.77	390.40	5.98	-33.79
COC1=CC=C(C2=CN=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C2)C(C)=C1	REAL300020145975	1	49	-1.0	-39.77	390.34	5.95	-33.82
O=C(C1CC2=CC=C(Cl)C=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145976	0	37	-1.0	-44.94	313.23	6.33	-38.61
O=C(C1CC2=CC=C(Cl)C=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145976	1	37	-1.0	-44.97	313.29	6.35	-38.62
O=C(C1=CC=C(C2CCOCC2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145977	0	47	-1.0	-46.01	363.00	5.82	-40.19
O=C(C1=CC=C(C2CCOCC2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145977	1	47	-1.0	-45.99	363.06	5.85	-40.14
CN1CC(=O)NC2=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=CN=C21	REAL300020145978	0	42	-1.0	-39.66	339.33	0.35	-39.31
CN1CC(=O)NC2=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CN=C21	REAL300020145978	1	42	-1.0	-39.63	339.27	0.33	-39.30
CC1=CC(Br)=C(F)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020145979	0	36	-1.0	-49.62	316.07	5.71	-43.91
CC1=CC(Br)=C(F)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020145979	1	36	-1.0	-49.68	316.13	5.74	-43.94
O=C(C1=CC=C(C2=CC=CC(Cl)=C2)NC1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145980	0	43	-1.0	-61.23	369.69	5.59	-55.64
O=C(C1=CC=C(C2=CC=CC(Cl)=C2)NC1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145980	1	43	-1.0	-61.23	369.63	5.56	-55.67
CN(C1=NC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CS1)C1=CC=CC=C1	REAL300020145981	0	44	-1.0	-45.32	371.48	7.65	-37.67
CN(C1=NC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CS1)C1=CC=CC=C1	REAL300020145981	1	44	-1.0	-45.29	371.42	7.63	-37.66
COC1=CC=C(C=CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1O	REAL300020145982	0	42	-1.0	-50.39	343.62	3.09	-47.30
COC1=CC=C(C=CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1O	REAL300020145982	1	42	-1.0	-50.39	343.68	3.12	-47.27
O=C(C=CC1=C(C(F)(F)F)SC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145983	0	37	-1.0	-37.55	329.20	5.90	-31.65
O=C(C=CC1=C(C(F)(F)F)SC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145983	1	37	-1.0	-37.55	329.26	5.92	-31.63
O=C(C1=CC2=NC=CC=C2C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145984	0	38	-1.0	-51.92	311.74	4.84	-47.08
O=C(C1=CC2=NC=CC=C2C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145984	1	38	-1.0	-51.92	311.69	4.81	-47.11
O=C(CCC1=CC=C(C(F)F)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145985	0	42	-1.0	-47.42	350.27	7.19	-40.23
O=C(CCC1=CC=C(C(F)F)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145985	1	42	-1.0	-47.44	350.33	7.22	-40.22
O=C(C1=CN=CC(C(F)F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145986	0	35	-1.0	-45.27	297.69	3.44	-41.83
O=C(C1=CN=CC(C(F)F)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145986	1	35	-1.0	-45.28	297.64	3.41	-41.87
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)SC(C2CCOC2)=N1	REAL300020145987	0	43	-1.0	-37.79	351.77	2.99	-34.80
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)SC(C2CCOC2)=N1	REAL300020145987	1	43	-1.0	-37.77	351.82	3.01	-34.76
CN1C=C(CNC2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C2)C=N1	REAL300020145988	0	48	-1.0	-50.82	389.64	4.88	-45.94
CN1C=C(CNC2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C2)C=N1	REAL300020145988	1	48	-1.0	-50.88	389.58	4.86	-46.02
CN1C=CN=C1CNC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020145989	0	48	-1.0	-50.60	386.41	5.39	-45.21
CN1C=CN=C1CNC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020145989	1	48	-1.0	-50.65	386.47	5.42	-45.23
NC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)SC2=NC=CC=C12	REAL300020145990	0	37	-1.0	-46.14	314.24	2.00	-44.14
NC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)SC2=NC=CC=C12	REAL300020145990	1	37	-1.0	-46.18	314.18	1.97	-44.21
O=C(C1=CN=C(NC2CC2)S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145991	0	38	-1.0	-38.50	324.29	3.39	-35.11
O=C(C1=CN=C(NC2CC2)S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145991	1	38	-1.0	-38.46	324.23	3.37	-35.09
O=C(C1=CC=C(NCCC2=CC=CC=N2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145992	0	50	-1.0	-50.42	402.43	6.05	-44.37
O=C(C1=CC=C(NCCC2=CC=CC=N2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145992	1	50	-1.0	-50.39	402.49	6.08	-44.31
O=C(C1=CC=C(NCCN2C=CN=C2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145993	0	48	-1.0	-53.68	388.74	6.64	-47.04
O=C(C1=CC=C(NCCN2C=CN=C2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145993	1	48	-1.0	-53.66	388.79	6.67	-46.99
O=C(C1=CC=C(NCC2=CSC=C2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145994	0	45	-1.0	-46.97	376.75	6.00	-40.97
O=C(C1=CC=C(NCC2=CSC=C2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145994	1	45	-1.0	-46.95	376.81	6.02	-40.93
CC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=C(C#N)C=C1	REAL300020145995	0	40	-1.0	-36.92	329.70	6.21	-30.71
CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=C(C#N)C=C1	REAL300020145995	1	40	-1.0	-36.98	329.76	6.24	-30.74
CCOC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1CCOC1	REAL300020145996	0	44	-1.0	-50.33	332.35	2.95	-47.38
CCOC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1CCOC1	REAL300020145996	1	44	-1.0	-50.35	332.41	2.97	-47.38
O=C(C1=CC2=CC(Br)=CC=C2C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145997	0	39	-1.0	-39.37	337.99	7.30	-32.07
O=C(C1=CC2=CC(Br)=CC=C2C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145997	1	39	-1.0	-39.36	338.05	7.33	-32.03
CN1C=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C2=CC(F)=CC=C2F)=N1	REAL300020145998	0	43	-1.0	-53.08	365.85	5.88	-47.20
CN1C=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C2=CC(F)=CC=C2F)=N1	REAL300020145998	1	43	-1.0	-53.09	365.79	5.86	-47.23
COC1=CC=CC(C(C)(C)C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020145999	0	46	-1.0	-44.94	342.09	5.24	-39.70
COC1=CC=CC(C(C)(C)C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020145999	1	46	-1.0	-44.96	342.15	5.27	-39.69
COC1=CC=CC=C1C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)S1	REAL300020146000	0	44	-1.0	-42.06	370.16	6.65	-35.41
COC1=CC=CC=C1C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)S1	REAL300020146000	1	44	-1.0	-42.11	370.22	6.68	-35.43
CC(C)(C)CC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020146001	0	48	-1.0	-45.37	367.02	7.47	-37.90
CC(C)(C)CC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020146001	1	48	-1.0	-45.36	367.08	7.49	-37.87
CCOC1COCCC1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146002	0	47	-1.0	-45.65	359.12	3.38	-42.27
CCOC1COCCC1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146002	1	47	-1.0	-45.63	359.18	3.41	-42.22
CC(C)(C)OC(=O)NC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1(F)F	REAL300020146003	0	47	-1.0	-58.19	381.21	3.36	-54.83
CC(C)(C)OC(=O)NC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1(F)F	REAL300020146003	1	47	-1.0	-58.25	381.27	3.38	-54.87
O=C(C=CCCC1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146004	0	43	-1.0	-38.08	349.69	7.61	-30.47
O=C(C=CCCC1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146004	1	43	-1.0	-38.09	349.75	7.64	-30.45
O=C(C=CCOC1CCOCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146005	0	45	-1.0	-50.00	355.42	3.33	-46.67
O=C(C=CCOC1CCOCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146005	1	45	-1.0	-49.97	355.48	3.36	-46.61
O=C(C=CC1=CC=C(Cl)N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146006	0	36	-1.0	-47.09	315.22	4.59	-42.50
O=C(C=CC1=CC=C(Cl)N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146006	1	36	-1.0	-47.08	315.27	4.61	-42.47
COC(=O)C1=CC=C(C=CC(=O)N2CCCC(C3=N[N-]N=N3)C2)O1	REAL300020146007	0	40	-1.0	-41.61	344.41	4.97	-36.64
COC(=O)C1=CC=C(C=CC(=O)N2CCCC(C3=NN=N[N-]3)C2)O1	REAL300020146007	1	40	-1.0	-41.63	344.46	5.00	-36.63
N#CCC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)SC=C1	REAL300020146008	0	34	-1.0	-42.87	299.53	4.64	-38.23
N#CCC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)SC=C1	REAL300020146008	1	34	-1.0	-42.87	299.59	4.67	-38.20
CN1C(=O)C[C@H](C(=O)N2CCCC(C3=N[N-]N=N3)C2)[C@H]1C1=CC=CC(F)=C1	REAL300020146009	0	47	-1.0	-49.18	375.43	6.03	-43.15
CN1C(=O)C[C@H](C(=O)N2CCCC(C3=NN=N[N-]3)C2)[C@H]1C1=CC=CC(F)=C1	REAL300020146009	1	47	-1.0	-49.14	375.49	6.06	-43.08
CN1C=C(C2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C2)C=N1	REAL300020146010	0	43	-1.0	-51.01	350.58	5.75	-45.26
CN1C=C(C2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C2)C=N1	REAL300020146010	1	43	-1.0	-50.97	350.53	5.73	-45.24
CC1=NN(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C(F)F)=C1	REAL300020146011	0	39	-1.0	-54.66	327.60	3.97	-50.69
CC1=NN(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C(F)F)=C1	REAL300020146011	1	39	-1.0	-54.68	327.66	3.99	-50.69
CC(C)C1=CC=C(OC2=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=CC=N2)C=C1	REAL300020146012	0	52	-1.0	-48.57	414.48	6.69	-41.88
CC(C)C1=CC=C(OC2=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CC=N2)C=C1	REAL300020146012	1	52	-1.0	-48.52	414.42	6.66	-41.86
O=C(CC1=CN2C=C(F)C=CC2=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146013	0	39	-1.0	-55.86	327.21	6.11	-49.75
O=C(CC1=CN2C=C(F)C=CC2=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146013	1	39	-1.0	-55.83	327.27	6.14	-49.69
O=C(C1=CC=CC=N1)N1CCC[C@H]1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146014	0	46	-1.0	-60.14	364.95	5.01	-55.13
O=C(C1=CC=CC=N1)N1CCC[C@H]1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146014	1	46	-1.0	-60.15	364.91	4.99	-55.16
CCOC(=O)[C@@H]1CC[C@H](C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020146015	0	45	-1.0	-53.86	353.85	5.83	-48.03
CCOC(=O)[C@@H]1CC[C@H](C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020146015	1	45	-1.0	-53.84	353.90	5.86	-47.98
COC(=O)C1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=C1C	REAL300020146016	0	42	-1.0	-48.68	338.12	5.54	-43.14
COC(=O)C1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=C1C	REAL300020146016	1	42	-1.0	-48.64	338.18	5.56	-43.08
COC1=CN=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(F)=C1	REAL300020146017	0	36	-1.0	-40.07	298.44	2.89	-37.18
COC1=CN=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(F)=C1	REAL300020146017	1	36	-1.0	-40.08	298.39	2.86	-37.22
CC(C)(C)N1C=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1=O	REAL300020146018	0	45	-1.0	-61.65	350.16	5.22	-56.43
CC(C)(C)N1C=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1=O	REAL300020146018	1	45	-1.0	-61.63	350.21	5.24	-56.39
CC1=NC2=CC=CC(Cl)=C2C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146019	0	41	-1.0	-44.32	346.22	5.86	-38.46
CC1=NC2=CC=CC(Cl)=C2C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146019	1	41	-1.0	-44.30	346.28	5.88	-38.42
CC1=CSC2=NC(CC(=O)N3CCCC(C4=N[N-]N=N4)C3)=CN12	REAL300020146020	0	39	-1.0	-59.48	332.57	5.81	-53.67
CC1=CSC2=NC(CC(=O)N3CCCC(C4=NN=N[N-]4)C3)=CN12	REAL300020146020	1	39	-1.0	-59.49	332.62	5.83	-53.66
O=C(CN1C=NC=C1C1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146021	0	43	-1.0	-52.17	346.34	7.46	-44.71
O=C(CN1C=NC=C1C1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146021	1	43	-1.0	-52.18	346.40	7.48	-44.70
O=C(C1=CC(Br)=CN2C=CN=C12)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146022	0	36	-1.0	-52.41	322.66	5.84	-46.57
O=C(C1=CC(Br)=CN2C=CN=C12)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146022	1	36	-1.0	-52.39	322.60	5.81	-46.58
CC1=NN(CC(C)C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020146023	0	42	-1.0	-38.96	331.43	4.61	-34.35
CC1=NN(CC(C)C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020146023	1	42	-1.0	-38.93	331.48	4.64	-34.29
O=C(C1=CC=CN(C2CC2)C1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146024	0	40	-1.0	-53.18	319.45	4.68	-48.50
O=C(C1=CC=CN(C2CC2)C1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146024	1	40	-1.0	-53.12	319.51	4.71	-48.41
O=C(CN1CCCCC(=O)C1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146025	0	42	-1.0	-51.87	331.65	3.56	-48.31
O=C(CN1CCCCC(=O)C1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146025	1	42	-1.0	-51.91	331.71	3.59	-48.32
O=C(C1CC2CCCCC(C1)C2=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146026	0	48	-1.0	-48.46	344.32	5.70	-42.76
O=C(C1CC2CCCCC(C1)C2=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146026	1	48	-1.0	-48.46	344.37	5.73	-42.73
C[C@@H]1C[C@H](C(F)(F)F)N2N=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C2N1	REAL300020146027	0	45	-1.0	-48.19	368.85	3.77	-44.42
C[C@@H]1C[C@H](C(F)(F)F)N2N=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C2N1	REAL300020146027	1	45	-1.0	-48.21	368.79	3.75	-44.46
CC(C)(C)OC(=O)NC(CO)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146028	0	47	-1.0	-40.50	367.95	-1.08	-41.58
CC(C)(C)OC(=O)NC(CO)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146028	1	47	-1.0	-40.52	368.01	-1.05	-41.57
O=C(CC1=NC(F)=C(F)C=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146029	0	35	-1.0	-48.01	307.72	3.58	-44.43
O=C(CC1=NC(F)=C(F)C=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146029	1	35	-1.0	-47.98	307.77	3.61	-44.37
C=CC(=O)NC1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020146030	0	41	-1.0	-48.85	336.11	3.81	-45.04
C=CC(=O)NC1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020146030	1	41	-1.0	-48.88	336.17	3.83	-45.05
O=C(C1=CC=CC=C1NCC(F)(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146031	0	41	-1.0	-48.19	344.59	4.72	-43.47
O=C(C1=CC=CC=C1NCC(F)(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146031	1	41	-1.0	-48.19	344.65	4.74	-43.45
O=C(C1=CC=C(Cl)C=C1NCC(F)(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146032	0	41	-1.0	-45.78	360.13	5.19	-40.59
O=C(C1=CC=C(Cl)C=C1NCC(F)(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146032	1	41	-1.0	-45.79	360.19	5.21	-40.58
CCOC1CC2(CC2C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020146033	0	44	-1.0	-48.84	347.09	5.09	-43.75
CCOC1CC2(CC2C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020146033	1	44	-1.0	-48.86	347.15	5.12	-43.74
NC(=O)[C@@H]1CC[C@H](CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)O1	REAL300020146034	0	44	-1.0	-56.43	350.64	1.44	-54.99
NC(=O)[C@@H]1CC[C@H](CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)O1	REAL300020146034	1	44	-1.0	-56.42	350.70	1.47	-54.95
CCC1=CC2=C(SC=C2CC(=O)N2CCCC(C3=N[N-]N=N3)C2)S1	REAL300020146035	0	42	-1.0	-48.61	365.68	7.48	-41.13
CCC1=CC2=C(SC=C2CC(=O)N2CCCC(C3=NN=N[N-]3)C2)S1	REAL300020146035	1	42	-1.0	-48.60	365.74	7.50	-41.10
O=C(C1=CC(C(F)(F)F)=NC=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146036	0	34	-1.0	-42.18	300.40	4.44	-37.74
O=C(C1=CC(C(F)(F)F)=NC=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146036	1	34	-1.0	-42.22	300.34	4.42	-37.80
O=C(C1C2CC3=CC=C(Br)C=C3C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146037	0	41	-1.0	-48.01	341.81	7.80	-40.21
O=C(C1C2CC3=CC=C(Br)C=C3C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146037	1	41	-1.0	-48.00	341.87	7.82	-40.18
O=C(CC1=COC2=C(Cl)C(Cl)=CC=C12)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146038	0	39	-1.0	-50.56	354.37	6.77	-43.79
O=C(CC1=COC2=C(Cl)C(Cl)=CC=C12)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146038	1	39	-1.0	-50.57	354.43	6.79	-43.78
CCCC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)S1	REAL300020146039	0	39	-1.0	-37.42	324.07	5.74	-31.68
CCCC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)S1	REAL300020146039	1	39	-1.0	-37.45	324.13	5.76	-31.69
O=C(CCCOC1CCOCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146040	0	47	-1.0	-50.63	364.81	3.55	-47.08
O=C(CCCOC1CCOCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146040	1	47	-1.0	-50.63	364.87	3.58	-47.05
CC1(C)CNC(=O)C2=C(C1)OC=C2C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146041	0	47	-1.0	-59.48	369.22	2.89	-56.59
CC1(C)CNC(=O)C2=C(C1)OC=C2C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146041	1	47	-1.0	-59.48	369.28	2.92	-56.56
O=C(C1=NC=C2CCCCN21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146042	0	40	-1.0	-44.40	311.26	5.38	-39.02
O=C(C1=NC=C2CCCCN21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146042	1	40	-1.0	-44.39	311.20	5.35	-39.04
CC(C)(C)C(=O)NCC(=O)OCCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146043	0	51	-1.0	-50.71	409.41	3.94	-46.77
CC(C)(C)C(=O)NCC(=O)OCCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146043	1	51	-1.0	-50.71	409.47	3.97	-46.74
CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020146044	0	56	-1.0	-47.54	416.84	5.22	-42.32
CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020146044	1	56	-1.0	-47.49	416.89	5.24	-42.25
CCN1C=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C2CC2)=N1	REAL300020146045	0	43	-1.0	-40.01	347.67	5.28	-34.73
CCN1C=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C2CC2)=N1	REAL300020146045	1	43	-1.0	-40.01	347.73	5.30	-34.71
CC1=CC2=C(SC=C2CC(=O)N2CCCC(C3=N[N-]N=N3)C2)S1	REAL300020146046	0	39	-1.0	-48.83	344.19	6.70	-42.13
CC1=CC2=C(SC=C2CC(=O)N2CCCC(C3=NN=N[N-]3)C2)S1	REAL300020146046	1	39	-1.0	-48.86	344.25	6.72	-42.14
CC(C)(C)OC(=O)NC1CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020146047	0	50	-1.0	-47.51	386.98	3.46	-44.05
CC(C)(C)OC(=O)NC1CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020146047	1	50	-1.0	-47.52	387.03	3.49	-44.03
C[C@H](CC(=O)N1CCCC(C2=N[N-]N=N2)C1)NC(=O)OC(C)(C)C	REAL300020146048	0	49	-1.0	-54.00	380.56	3.52	-50.48
C[C@H](CC(=O)N1CCCC(C2=NN=N[N-]2)C1)NC(=O)OC(C)(C)C	REAL300020146048	1	49	-1.0	-54.00	380.62	3.54	-50.46
CC(C)(C)OC(=O)N(CCC(=O)N1CCCC(C2=N[N-]N=N2)C1)CC1CC1	REAL300020146049	0	56	-1.0	-47.36	433.06	7.35	-40.01
CC(C)(C)OC(=O)N(CCC(=O)N1CCCC(C2=NN=N[N-]2)C1)CC1CC1	REAL300020146049	1	56	-1.0	-47.33	433.12	7.37	-39.96
CC(C)(C)OC(=O)N1CC2CC1(CCC(=O)N1CCCC(C3=N[N-]N=N3)C1)C2	REAL300020146050	0	57	-1.0	-60.20	428.11	6.54	-53.66
CC(C)(C)OC(=O)N1CC2CC1(CCC(=O)N1CCCC(C3=NN=N[N-]3)C1)C2	REAL300020146050	1	57	-1.0	-60.21	428.17	6.56	-53.65
CC(C)(C)OC(=O)NC1=CC(F)=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146051	0	50	-1.0	-46.17	396.46	5.04	-41.13
CC(C)(C)OC(=O)NC1=CC(F)=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146051	1	50	-1.0	-46.17	396.51	5.07	-41.10
O=C([C@@H]1CCCC[C@H]1C1=CC=CC(Cl)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146052	0	49	-1.0	-49.80	386.87	8.66	-41.14
O=C([C@@H]1CCCC[C@H]1C1=CC=CC(Cl)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146052	1	49	-1.0	-49.85	386.93	8.68	-41.17
O=C(C1=CC=C(I)C=C1O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146053	0	34	-1.0	-37.45	308.81	2.93	-34.52
O=C(C1=CC=C(I)C=C1O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146053	1	34	-1.0	-37.48	308.86	2.96	-34.52
O=C(C1=CC=C(I)C=C1[O-])N1CCCC(C2=N[N-]N=N2)C1	REAL300020146053	1	33	-2.0	-95.49	304.92	4.25	-91.24
O=C(C1=CC=C(I)C=C1[O-])N1CCCC(C2=NN=N[N-]2)C1	REAL300020146053	1	33	-2.0	-95.50	304.97	4.27	-91.23
O=C(C1=CNN=C1C1CCCO1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146054	0	41	-1.0	-49.82	327.43	1.67	-48.15
O=C(C1=CNN=C1C1CCCO1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146054	1	41	-1.0	-49.82	327.49	1.70	-48.12
O=C(C1=C(C2CC2)NN=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146055	0	37	-1.0	-45.83	323.20	3.65	-42.18
O=C(C1=C(C2CC2)NN=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146055	1	37	-1.0	-45.83	323.25	3.68	-42.15
COC(C(=O)OC(C)(C)C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146056	0	45	-1.0	-49.43	346.33	4.77	-44.66
COC(C(=O)OC(C)(C)C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146056	1	45	-1.0	-49.40	346.39	4.79	-44.61
O=C(CCC1=CC=CC2=CC=CC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146057	0	45	-1.0	-46.48	358.55	8.36	-38.12
O=C(CCC1=CC=CC2=CC=CC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146057	1	45	-1.0	-46.42	358.61	8.39	-38.03
CC(CCC1=CC=C(F)C=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146058	0	45	-1.0	-37.17	359.43	7.43	-29.74
CC(CCC1=CC=C(F)C=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146058	1	45	-1.0	-37.14	359.49	7.46	-29.68
CC(C)(CC(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=C(F)C=C1	REAL300020146059	0	45	-1.0	-45.48	346.49	7.10	-38.38
CC(C)(CC(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=C(F)C=C1	REAL300020146059	1	45	-1.0	-45.49	346.55	7.12	-38.37
O=C(C1=CC2=C(Cl)N=CC=C2S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146060	0	35	-1.0	-37.86	317.67	4.45	-33.41
O=C(C1=CC2=C(Cl)N=CC=C2S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146060	1	35	-1.0	-37.85	317.61	4.42	-33.43
COCC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1F	REAL300020146061	0	40	-1.0	-43.46	329.21	4.38	-39.08
COCC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1F	REAL300020146061	1	40	-1.0	-43.43	329.27	4.41	-39.02
CCN1N=CN=C1C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020146062	0	45	-1.0	-50.05	358.17	6.89	-43.16
CCN1N=CN=C1C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020146062	1	45	-1.0	-50.01	358.12	6.86	-43.15
O=C(CN1C=CC(Br)=CC1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146063	0	36	-1.0	-55.80	320.17	4.63	-51.17
O=C(CN1C=CC(Br)=CC1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146063	1	36	-1.0	-55.75	320.22	4.65	-51.10
O=C(C(CC1=CC=CN=C1)C1CCCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146064	0	51	-1.0	-45.34	371.31	6.56	-38.78
O=C(C(CC1=CC=CN=C1)C1CCCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146064	1	51	-1.0	-45.34	371.25	6.53	-38.81
O=C(C1=CC2=CC=NC(Cl)=C2S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146065	0	35	-1.0	-41.05	318.02	4.47	-36.58
O=C(C1=CC2=CC=NC(Cl)=C2S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146065	1	35	-1.0	-41.04	317.96	4.44	-36.60
CCS(=O)(=O)C1=CC=C(OC)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020146066	0	46	-1.0	-57.18	381.66	2.43	-54.75
CCS(=O)(=O)C1=CC=C(OC)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020146066	1	46	-1.0	-57.19	381.72	2.46	-54.73
O=C(C1=CC=NC(N2C=CC=C2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146067	0	40	-1.0	-38.63	327.97	6.55	-32.08
O=C(C1=CC=NC(N2C=CC=C2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146067	1	40	-1.0	-38.69	327.91	6.52	-32.17
O=C(C1=CC=CC2=C(Br)C=CC=C12)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146068	0	39	-1.0	-45.36	333.99	7.21	-38.15
O=C(C1=CC=CC2=C(Br)C=CC=C12)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146068	1	39	-1.0	-45.35	334.04	7.24	-38.11
O=C(C1CCC12CCOCC2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146069	0	44	-1.0	-46.66	316.55	3.84	-42.82
O=C(C1CCC12CCOCC2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146069	1	44	-1.0	-46.68	316.61	3.87	-42.81
O=C(C1=CC=CC(OC2=CC=CC=N2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146070	0	43	-1.0	-46.33	356.34	4.81	-41.52
O=C(C1=CC=CC(OC2=CC=CC=N2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146070	1	43	-1.0	-46.34	356.28	4.78	-41.56
CCOC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1CCOCC1	REAL300020146071	0	47	-1.0	-49.92	353.40	4.00	-45.92
CCOC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1CCOCC1	REAL300020146071	1	47	-1.0	-49.86	353.46	4.03	-45.83
CCOC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1CCCC1	REAL300020146072	0	46	-1.0	-47.94	347.93	5.97	-41.97
CCOC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1CCCC1	REAL300020146072	1	46	-1.0	-47.96	347.99	5.99	-41.97
CC1(C)CC2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C2O1	REAL300020146073	0	44	-1.0	-42.51	347.31	5.66	-36.85
CC1(C)CC2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C2O1	REAL300020146073	1	44	-1.0	-42.55	347.37	5.69	-36.86
O=C(C1=C(F)C=CC=C1[N+](=O)[O-])N1CCCC(C2=N[N-]N=N2)C1	REAL300020146074	0	35	-1.0	-58.02	305.40	5.57	-52.45
O=C(C1=C(F)C=CC=C1[N+](=O)[O-])N1CCCC(C2=NN=N[N-]2)C1	REAL300020146074	1	35	-1.0	-58.03	305.46	5.60	-52.43
COC(=O)C1=CC=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=N1	REAL300020146075	0	41	-1.0	-52.92	345.33	4.29	-48.63
COC(=O)C1=CC=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=N1	REAL300020146075	1	41	-1.0	-52.87	345.27	4.26	-48.61
CC(=O)NC1=CC=CN=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146076	0	39	-1.0	-41.63	314.38	2.89	-38.74
CC(=O)NC1=CC=CN=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146076	1	39	-1.0	-41.63	314.32	2.87	-38.76
O=C(C1=CC=NC=C1N1CCOCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146077	0	45	-1.0	-46.76	347.44	1.63	-45.13
O=C(C1=CC=NC=C1N1CCOCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146077	1	45	-1.0	-46.77	347.38	1.61	-45.16
O=C(C1=CC(Br)=CC(F)=C1[O-])N1CCCC(C2=N[N-]N=N2)C1	REAL300020146078	0	33	-2.0	-98.83	306.02	3.43	-95.40
O=C(C1=CC(Br)=CC(F)=C1[O-])N1CCCC(C2=NN=N[N-]2)C1	REAL300020146078	1	33	-2.0	-98.82	306.08	3.45	-95.37
O=C(C1=CON=C1C1CCCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146079	0	42	-1.0	-37.63	332.08	5.23	-32.40
O=C(C1=CON=C1C1CCCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146079	1	42	-1.0	-37.63	332.14	5.25	-32.38
COC1CCN(CC2=CN(C)N=C2C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020146080	0	52	-1.0	-46.25	391.04	1.59	-44.66
COC1CCN(CC2=CN(C)N=C2C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020146080	1	52	-1.0	-46.27	391.09	1.61	-44.66
COC1CC[N@H+](CC2=CN(C)N=C2C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020146080	1	53	0.0	-61.49	408.57	4.97	-56.52
COC1CC[N@@H+](CC2=CN(C)N=C2C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020146080	1	53	0.0	-63.57	414.38	4.66	-58.91
CN1C=C(CN2CCC(O)C2)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL300020146081	0	49	-1.0	-46.99	369.01	-0.77	-47.76
CN1C=C(CN2CCC(O)C2)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL300020146081	1	49	-1.0	-46.95	369.07	-0.75	-47.70
CN1C=C(C[N@@H+]2CCC(O)C2)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL300020146081	1	50	0.0	-61.72	385.13	2.64	-59.08
CN1C=C(C[N@H+]2CCC(O)C2)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL300020146081	1	50	0.0	-54.70	386.98	2.67	-52.03
CN1C=C(CN2CCC([NH+](C)C)C2)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL300020146082	0	57	0.0	-66.99	429.32	4.62	-62.37
CN1C=C(CN2CCC([NH+](C)C)C2)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL300020146082	1	57	0.0	-66.95	429.27	4.59	-62.36
CN1CC(N2CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)CC2=O)C1	REAL300020146083	0	46	-1.0	-47.69	354.06	0.65	-47.04
CN1CC(N2CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)CC2=O)C1	REAL300020146083	1	46	-1.0	-47.70	354.12	0.68	-47.02
CC(C)N1N=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1Br	REAL300020146084	0	39	-1.0	-44.73	336.06	4.25	-40.48
CC(C)N1N=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1Br	REAL300020146084	1	39	-1.0	-44.75	336.00	4.22	-40.53
CC(CC(=O)C1=CC=C(F)C=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146085	0	44	-1.0	-39.76	357.15	6.57	-33.19
CC(CC(=O)C1=CC=C(F)C=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146085	1	44	-1.0	-39.80	357.21	6.59	-33.21
CC1NC2=CC=NN2C(C)C1CCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146086	0	51	-1.0	-56.89	377.71	4.59	-52.30
CC1NC2=CC=NN2C(C)C1CCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146086	1	51	-1.0	-56.90	377.65	4.57	-52.33
O=C(C1=CC=C([O-])C(F)=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146087	0	33	-2.0	-88.77	290.28	2.51	-86.26
O=C(C1=CC=C([O-])C(F)=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146087	1	33	-2.0	-88.74	290.34	2.53	-86.21
CC1(C)[C@@H]2CC[C@@]1(C(=O)N1CCCC(C3=N[N-]N=N3)C1)C(=O)C2	REAL300020146088	0	45	-1.0	-49.45	324.29	4.84	-44.61
CC1(C)[C@@H]2CC[C@@]1(C(=O)N1CCCC(C3=NN=N[N-]3)C1)C(=O)C2	REAL300020146088	1	45	-1.0	-49.41	324.35	4.86	-44.55
CSC1=NC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(=O)N1	REAL300020146089	0	36	-1.0	-46.53	308.97	1.75	-44.78
CSC1=NC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(=O)N1	REAL300020146089	1	36	-1.0	-46.55	309.02	1.78	-44.77
CSC1=NC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(=O)[N-]1	REAL300020146089	1	35	-2.0	-99.39	307.19	0.68	-98.71
CSC1=NC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(=O)[N-]1	REAL300020146089	1	35	-2.0	-99.39	307.24	0.70	-98.69
CC(C)(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CC(O)=C1	REAL300020146090	0	43	-1.0	-45.54	323.61	3.09	-42.45
CC(C)(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC(O)=C1	REAL300020146090	1	43	-1.0	-45.51	323.67	3.11	-42.40
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(Cl)CC2CCC1O2	REAL300020146091	0	38	-1.0	-45.66	298.91	2.96	-42.70
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(Cl)CC2CCC1O2	REAL300020146091	1	38	-1.0	-45.65	298.97	2.98	-42.67
N#CC1=C2C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CNC2=CC=C1	REAL300020146092	0	38	-1.0	-64.72	318.88	4.73	-59.99
N#CC1=C2C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=CNC2=CC=C1	REAL300020146092	1	38	-1.0	-64.70	318.94	4.75	-59.95
C=CC(=O)NC1=CC=C(O)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020146093	0	42	-1.0	-57.13	349.25	1.38	-55.75
C=CC(=O)NC1=CC=C(O)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020146093	1	42	-1.0	-57.14	349.31	1.41	-55.73
O=CC1=CN(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)N=C1C1=CC=CC=C1	REAL300020146094	0	45	-1.0	-64.41	372.99	6.20	-58.21
O=CC1=CN(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)N=C1C1=CC=CC=C1	REAL300020146094	1	45	-1.0	-64.45	372.93	6.17	-58.28
COC1=CC=C(C2=NN(CC(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C2C=O)C=C1	REAL300020146095	0	49	-1.0	-64.88	402.48	5.48	-59.40
COC1=CC=C(C2=NN(CC(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C2C=O)C=C1	REAL300020146095	1	49	-1.0	-64.86	402.42	5.46	-59.40
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)[N-]C(=O)C(C#N)=C1	REAL300020146096	0	36	-2.0	-88.26	316.32	1.21	-87.05
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)[N-]C(=O)C(C#N)=C1	REAL300020146096	1	36	-2.0	-88.24	316.37	1.24	-87.00
CC(C)(CC1=CC=C(O)C=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146097	0	46	-1.0	-46.79	348.05	3.64	-43.15
CC(C)(CC1=CC=C(O)C=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146097	1	46	-1.0	-46.83	348.10	3.67	-43.16
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(CC2=CC=C(O)C=C2)CC1	REAL300020146098	0	44	-1.0	-52.34	354.70	4.35	-47.99
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(CC2=CC=C(O)C=C2)CC1	REAL300020146098	1	44	-1.0	-52.37	354.76	4.38	-47.99
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C2=CC=CC=C2)CC1Br	REAL300020146099	0	40	-1.0	-46.82	335.56	6.82	-40.00
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C2=CC=CC=C2)CC1Br	REAL300020146099	1	40	-1.0	-46.86	335.62	6.85	-40.01
CN1C2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C2N=C1CO	REAL300020146100	0	43	-1.0	-51.93	349.77	2.13	-49.80
CN1C2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C2N=C1CO	REAL300020146100	1	43	-1.0	-51.95	349.82	2.15	-49.80
CC1=NC2=CC=C(O)C=C2C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146101	0	42	-1.0	-45.73	341.32	2.60	-43.13
CC1=NC2=CC=C(O)C=C2C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146101	1	42	-1.0	-45.69	341.38	2.63	-43.06
CN1C=C([C@@H]2[C@@H](C(=O)N3CCCC(C4=NN=N[N-]4)C3)[C@@H](O)C(=O)N2C)C=N1	REAL300020146102	0	48	-1.0	-52.53	383.61	1.58	-50.95
CN1C=C([C@@H]2[C@@H](C(=O)N3CCCC(C4=N[N-]N=N4)C3)[C@@H](O)C(=O)N2C)C=N1	REAL300020146102	1	48	-1.0	-52.48	383.55	1.56	-50.92
O=C(C(CCCO)C1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146103	0	46	-1.0	-47.59	363.72	3.91	-43.68
O=C(C(CCCO)C1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146103	1	46	-1.0	-47.61	363.77	3.93	-43.68
COC1=CC=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1O	REAL300020146104	0	41	-1.0	-52.04	334.96	2.59	-49.45
COC1=CC=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1O	REAL300020146104	1	41	-1.0	-52.03	335.02	2.61	-49.42
CN1N=C(C(=O)OC(C)(C)C)C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146105	0	48	-1.0	-42.89	378.67	4.79	-38.10
CN1N=C(C(=O)OC(C)(C)C)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146105	1	48	-1.0	-42.87	378.61	4.76	-38.11
CC(C1=CC=CC=C1F)C(O)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146106	0	43	-1.0	-48.86	333.58	4.26	-44.60
CC(C1=CC=CC=C1F)C(O)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146106	1	43	-1.0	-48.89	333.64	4.28	-44.61
O=C(C1=C(C(F)F)N=CS1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146107	0	32	-1.0	-48.28	290.69	2.60	-45.68
O=C(C1=C(C(F)F)N=CS1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146107	1	32	-1.0	-48.25	290.75	2.63	-45.62
CS(C)(=O)=NC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020146108	0	43	-1.0	-60.89	351.69	2.81	-58.08
CS(C)(=O)=NC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020146108	1	43	-1.0	-60.90	351.75	2.84	-58.06
CC(C)(C)C1=CSC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL300020146109	0	41	-1.0	-39.63	336.12	4.11	-35.52
CC(C)(C)C1=CSC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL300020146109	1	41	-1.0	-39.62	336.06	4.09	-35.53
O=C(CC1=CC=C(Br)C=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146110	0	36	-1.0	-46.99	329.85	6.47	-40.52
O=C(CC1=CC=C(Br)C=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146110	1	36	-1.0	-47.02	329.91	6.50	-40.52
O=C(C1=CC2=C(C3CC3)C=CC=C2N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146111	0	44	-1.0	-45.77	349.70	6.96	-38.81
O=C(C1=CC2=C(C3CC3)C=CC=C2N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146111	1	44	-1.0	-45.75	349.76	6.98	-38.77
O=C(C1=CN(CC2CC2)N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146112	0	40	-1.0	-45.86	326.06	4.64	-41.22
O=C(C1=CN(CC2CC2)N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146112	1	40	-1.0	-45.84	326.00	4.62	-41.22
CC1=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C(=O)NC(=O)N1	REAL300020146113	0	39	-1.0	-57.39	320.54	0.11	-57.28
CC1=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C(=O)NC(=O)N1	REAL300020146113	1	39	-1.0	-57.41	320.60	0.14	-57.27
O=C(CC1C(=O)NC2=CC=C(F)C=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146114	0	41	-1.0	-54.13	337.79	5.27	-48.86
O=C(CC1C(=O)NC2=CC=C(F)C=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146114	1	41	-1.0	-54.15	337.85	5.30	-48.85
O=CC1=CC=C(C2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C([O-])=C2)O1	REAL300020146115	0	42	-2.0	-112.57	357.85	5.77	-106.80
O=CC1=CC=C(C2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C([O-])=C2)O1	REAL300020146115	1	42	-2.0	-112.56	357.79	5.75	-106.81
O=CC1=CC=C(C2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C(O)=C2)O1	REAL300020146115	1	43	-1.0	-47.56	364.63	4.02	-43.54
O=CC1=CC=C(C2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C(O)=C2)O1	REAL300020146115	1	43	-1.0	-47.56	364.58	4.00	-43.56
CCC(O)CN1C=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N=N1	REAL300020146116	0	42	-1.0	-50.57	342.57	0.44	-50.13
CCC(O)CN1C=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N=N1	REAL300020146116	1	42	-1.0	-50.58	342.51	0.42	-50.16
O=C(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CNC2=CC(F)=CC=C12	REAL300020146117	0	39	-1.0	-40.96	327.13	4.59	-36.37
O=C(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CNC2=CC(F)=CC=C12	REAL300020146117	1	39	-1.0	-40.96	327.19	4.62	-36.34
N#CCS(=O)(=O)C1=CC=C(F)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020146118	0	40	-1.0	-63.69	355.70	2.63	-61.06
N#CCS(=O)(=O)C1=CC=C(F)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020146118	1	40	-1.0	-63.67	355.76	2.66	-61.01
CS(C)(=O)=NC1=CC=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146119	0	43	-1.0	-57.65	351.27	2.88	-54.77
CS(C)(=O)=NC1=CC=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146119	1	43	-1.0	-57.66	351.33	2.91	-54.75
O=C(CC1=NC(C2CC2)=CS1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146120	0	39	-1.0	-49.80	330.35	4.62	-45.18
O=C(CC1=NC(C2CC2)=CS1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146120	1	39	-1.0	-49.78	330.40	4.64	-45.14
O=C(C1CCCN2N=CN=C12)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146121	0	39	-1.0	-47.24	302.68	5.11	-42.13
O=C(C1CCCN2N=CN=C12)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146121	1	39	-1.0	-47.29	302.74	5.13	-42.16
CCCCCCC(O)CCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146122	0	51	-1.0	-45.14	394.75	4.67	-40.47
CCCCCCC(O)CCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146122	1	51	-1.0	-45.17	394.81	4.70	-40.47
COC1=CN=NC(OC)=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146123	0	39	-1.0	-48.72	325.77	-0.56	-49.28
COC1=CN=NC(OC)=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146123	1	39	-1.0	-48.73	325.71	-0.58	-49.31
O=C(CS(=O)C1=CC=C(Cl)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146124	0	38	-1.0	-54.86	341.95	4.10	-50.76
O=C(CS(=O)C1=CC=C(Cl)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146124	1	38	-1.0	-54.86	342.00	4.13	-50.73
O=C(C1=CC(Br)=CC=C1C1CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146125	0	40	-1.0	-44.44	338.69	7.04	-37.40
O=C(C1=CC(Br)=CC=C1C1CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146125	1	40	-1.0	-44.40	338.75	7.06	-37.34
CC1CCC2=NNC=C2C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146126	0	43	-1.0	-47.87	332.24	3.81	-44.06
CC1CCC2=NNC=C2C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146126	1	43	-1.0	-47.86	332.29	3.84	-44.02
O=C(C1=CN=C(CC2CC2)S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146127	0	39	-1.0	-44.25	330.01	4.64	-39.61
O=C(C1=CN=C(CC2CC2)S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146127	1	39	-1.0	-44.24	330.07	4.66	-39.58
O=C(C1=C(Cl)C2=C(F)C=CC=C2S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146128	0	36	-1.0	-40.89	326.49	6.33	-34.56
O=C(C1=C(Cl)C2=C(F)C=CC=C2S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146128	1	36	-1.0	-40.86	326.54	6.36	-34.50
CSC1=NC=CN=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146129	0	35	-1.0	-41.62	300.66	2.74	-38.88
CSC1=NC=CN=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146129	1	35	-1.0	-41.66	300.60	2.72	-38.94
CC1=CC2=C(S1)C(CC(=O)N1CCCC(C3=N[N-]N=N3)C1)=CS2	REAL300020146130	0	39	-1.0	-48.60	343.44	6.67	-41.93
CC1=CC2=C(S1)C(CC(=O)N1CCCC(C3=NN=N[N-]3)C1)=CS2	REAL300020146130	1	39	-1.0	-48.62	343.50	6.69	-41.93
CN1N=C2CCSCC2=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146131	0	41	-1.0	-44.46	339.91	4.38	-40.08
CN1N=C2CCSCC2=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146131	1	41	-1.0	-44.47	339.97	4.41	-40.06
O=C(C1=CC2=C(C=C1[N+](=O)[O-])OCCCO2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146132	0	44	-1.0	-53.52	357.31	5.87	-47.65
O=C(C1=CC2=C(C=C1[N+](=O)[O-])OCCCO2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146132	1	44	-1.0	-53.49	357.37	5.90	-47.59
CC1=CC=C(NC2CC2)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020146133	0	45	-1.0	-45.68	354.94	5.75	-39.93
CC1=CC=C(NC2CC2)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020146133	1	45	-1.0	-45.67	355.00	5.78	-39.89
CCCCNC1=NC(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)=CS1	REAL300020146134	0	46	-1.0	-51.90	379.52	4.87	-47.03
CCCCNC1=NC(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)=CS1	REAL300020146134	1	46	-1.0	-51.87	379.58	4.90	-46.97
CC1(NC2=NC(CC(=O)N3CCCC(C4=N[N-]N=N4)C3)=CS2)CCCC1	REAL300020146135	0	50	-1.0	-52.85	391.75	5.33	-47.52
CC1(NC2=NC(CC(=O)N3CCCC(C4=NN=N[N-]4)C3)=CS2)CCCC1	REAL300020146135	1	50	-1.0	-52.82	391.81	5.35	-47.47
O=C(CCCC(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020146136	0	44	-1.0	-58.28	357.82	6.87	-51.41
O=C(CCCC(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020146136	1	44	-1.0	-58.24	357.88	6.89	-51.35
O=C(C1=CC2=CC(F)=CC=C2NC1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146137	0	39	-1.0	-50.11	326.39	3.64	-46.47
O=C(C1=CC2=CC(F)=CC=C2NC1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146137	1	39	-1.0	-50.15	326.45	3.66	-46.49
O=C(C1=CC=C(CN2CCOCC2)O1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146138	0	46	-1.0	-44.76	361.32	2.08	-42.68
O=C(C1=CC=C(CN2CCOCC2)O1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146138	1	46	-1.0	-44.81	361.37	2.11	-42.70
O=C(C1=CN(CC2CNC(=O)O2)N=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146139	0	41	-1.0	-57.51	342.77	-0.70	-58.21
O=C(C1=CN(CC2CNC(=O)O2)N=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146139	1	41	-1.0	-57.47	342.72	-0.73	-58.20
O=C(N1CCCC(C2=N[N-]N=N2)C1)[C@@]1(C2=CC=CC=C2)C[C@H](F)C1	REAL300020146140	0	43	-1.0	-45.46	335.67	6.66	-38.80
O=C(N1CCCC(C2=NN=N[N-]2)C1)[C@@]1(C2=CC=CC=C2)C[C@H](F)C1	REAL300020146140	1	43	-1.0	-45.45	335.72	6.69	-38.76
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C2=CC=CN=C2)CC2(CCC2)C1	REAL300020146141	0	49	-1.0	-45.71	370.68	6.57	-39.14
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C2=CC=CN=C2)CC2(CCC2)C1	REAL300020146141	1	49	-1.0	-45.72	370.62	6.55	-39.17
CC1=CC=NC(OC2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C2)=C1	REAL300020146142	0	46	-1.0	-47.57	376.65	5.41	-42.16
CC1=CC=NC(OC2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C2)=C1	REAL300020146142	1	46	-1.0	-47.63	376.71	5.43	-42.20
O=C(C1=CSC(C2=NC=CN2)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146143	0	36	-1.0	-50.80	316.23	2.79	-48.01
O=C(C1=CSC(C2=NC=CN2)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146143	1	36	-1.0	-50.80	316.28	2.82	-47.98
CC(SC1=NC(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)=CS1)C(N)=O	REAL300020146144	0	43	-1.0	-62.85	372.56	0.83	-62.02
CC(SC1=NC(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)=CS1)C(N)=O	REAL300020146144	1	43	-1.0	-62.85	372.61	0.85	-62.00
O=C(C1=C(C2CC2)SC=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146145	0	36	-1.0	-42.24	301.33	4.56	-37.68
O=C(C1=C(C2CC2)SC=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146145	1	36	-1.0	-42.32	301.27	4.54	-37.78
CC1=CC(C)=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)S1	REAL300020146146	0	39	-1.0	-47.53	325.18	5.90	-41.63
CC1=CC(C)=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)S1	REAL300020146146	1	39	-1.0	-47.55	325.24	5.93	-41.62
CC(C)(C)OC(=O)CCC1CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CO1	REAL300020146147	0	55	-1.0	-47.39	417.29	6.02	-41.37
CC(C)(C)OC(=O)CCC1CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CO1	REAL300020146147	1	55	-1.0	-47.33	417.35	6.05	-41.28
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@@H]2C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146148	0	51	-1.0	-54.66	388.93	5.50	-49.16
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@@H]2C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146148	1	51	-1.0	-54.70	388.99	5.52	-49.18
COCCC(NC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146149	0	53	-1.0	-39.45	405.27	1.83	-37.62
COCCC(NC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146149	1	53	-1.0	-39.44	405.33	1.86	-37.58
CC(C)(C)OC(=O)N1CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C)(C)C1	REAL300020146150	0	56	-1.0	-50.98	416.77	5.69	-45.29
CC(C)(C)OC(=O)N1CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C)(C)C1	REAL300020146150	1	56	-1.0	-50.99	416.83	5.72	-45.27
CC(C)(C)OC(=O)NC1=CC=NC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020146151	0	49	-1.0	-45.15	387.06	3.69	-41.46
CC(C)(C)OC(=O)NC1=CC=NC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020146151	1	49	-1.0	-45.10	387.11	3.72	-41.38
CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146152	0	50	-1.0	-49.88	389.46	2.15	-47.73
CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146152	1	50	-1.0	-49.88	389.52	2.18	-47.70
CC(C)C[C@@H](C(=O)N1CCCC(C2=N[N-]N=N2)C1)N(C)C(=O)OC(C)(C)C	REAL300020146153	0	58	-1.0	-44.95	429.53	6.93	-38.02
CC(C)C[C@@H](C(=O)N1CCCC(C2=NN=N[N-]2)C1)N(C)C(=O)OC(C)(C)C	REAL300020146153	1	58	-1.0	-44.97	429.59	6.95	-38.02
CC(C)C(NC(=O)OC(C)(C)C)C(C)(C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146154	0	61	-1.0	-44.32	424.30	5.30	-39.02
CC(C)C(NC(=O)OC(C)(C)C)C(C)(C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146154	1	61	-1.0	-44.35	424.36	5.32	-39.03
CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@@H]1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146155	0	59	-1.0	-47.12	429.26	5.49	-41.63
CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@@H]1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146155	1	59	-1.0	-47.13	429.31	5.52	-41.61
O=C(C(O)C1=CC=CC=C1C(F)(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146156	0	40	-1.0	-43.21	330.65	3.74	-39.47
O=C(C(O)C1=CC=CC=C1C(F)(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146156	1	40	-1.0	-43.20	330.70	3.76	-39.44
CCN1C(=O)CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1C1=CC=CC(C)=C1	REAL300020146157	0	53	-1.0	-58.58	399.17	7.25	-51.33
CCN1C(=O)CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1C1=CC=CC(C)=C1	REAL300020146157	1	53	-1.0	-58.62	399.22	7.28	-51.34
CCN1N=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1C1CC1	REAL300020146158	0	43	-1.0	-45.40	341.36	5.01	-40.39
CCN1N=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1C1CC1	REAL300020146158	1	43	-1.0	-45.45	341.41	5.03	-40.42
CC(C)(C)C1=CC=C(C(F)(F)C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020146159	0	48	-1.0	-41.17	378.12	7.73	-33.44
CC(C)(C)C1=CC=C(C(F)(F)C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020146159	1	48	-1.0	-41.17	378.18	7.75	-33.42
O=C(C1=CC2=CC=CC(C(F)(F)F)=C2NC1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146160	0	42	-1.0	-57.66	359.68	4.87	-52.79
O=C(C1=CC2=CC=CC(C(F)(F)F)=C2NC1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146160	1	42	-1.0	-57.69	359.73	4.89	-52.80
CC1=CN=C(Cl)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020146161	0	35	-1.0	-47.85	302.95	3.78	-44.07
CC1=CN=C(Cl)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020146161	1	35	-1.0	-47.85	302.90	3.76	-44.09
O=C(C=CC1=CC=CC=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146162	0	37	-1.0	-50.75	309.02	5.98	-44.77
O=C(C=CC1=CC=CC=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146162	1	37	-1.0	-50.73	309.08	6.01	-44.72
O=C(C=CC1=CC=C2OCOC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146163	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	REAL300020146163	1	40	-1.0	-49.80	329.57	4.63	-45.17
O=C(C=CC1=CC=CC(C2=CC=C(Cl)C=C2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146164	0	47	-1.0	-38.38	394.40	9.86	-28.52
O=C(C=CC1=CC=CC(C2=CC=C(Cl)C=C2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146164	1	47	-1.0	-38.38	394.46	9.89	-28.49
CN(C(=O)OC(C)(C)C)C1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020146165	0	53	-1.0	-53.78	414.40	6.92	-46.86
CN(C(=O)OC(C)(C)C)C1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020146165	1	53	-1.0	-53.73	414.46	6.94	-46.79
CC(C)(C)OC(=O)NC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=N1	REAL300020146166	0	49	-1.0	-48.55	385.84	4.32	-44.23
CC(C)(C)OC(=O)NC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=N1	REAL300020146166	1	49	-1.0	-48.57	385.89	4.35	-44.22
O=C(C=CC1=CC=C(F)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146167	0	37	-1.0	-37.54	309.91	6.00	-31.54
O=C(C=CC1=CC=C(F)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146167	1	37	-1.0	-37.55	309.96	6.02	-31.53
CC(C)C1=CC=C(C2=NC(CC(=O)N3CCCC(C4=NN=N[N-]4)C3)=CS2)C=C1	REAL300020146168	0	51	-1.0	-53.83	418.58	8.35	-45.48
CC(C)C1=CC=C(C2=NC(CC(=O)N3CCCC(C4=N[N-]N=N4)C3)=CS2)C=C1	REAL300020146168	1	51	-1.0	-53.82	418.52	8.32	-45.50
O=C(CC1=CSC(C2CCS(=O)(=O)C2)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146169	0	45	-1.0	-58.38	384.86	1.68	-56.70
O=C(CC1=CSC(C2CCS(=O)(=O)C2)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146169	1	45	-1.0	-58.38	384.92	1.71	-56.67
C[C@H]1CC[C@H](C2=NC(CC(=O)N3CCCC(C4=N[N-]N=N4)C3)=CS2)CC1	REAL300020146170	0	51	-1.0	-49.02	404.94	6.94	-42.08
C[C@H]1CC[C@H](C2=NC(CC(=O)N3CCCC(C4=NN=N[N-]4)C3)=CS2)CC1	REAL300020146170	1	51	-1.0	-49.03	405.00	6.97	-42.06
COC1=CC=C(C2=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=NO2)C=C1	REAL300020146171	0	43	-1.0	-43.50	355.08	5.34	-38.16
COC1=CC=C(C2=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=NO2)C=C1	REAL300020146171	1	43	-1.0	-43.49	355.03	5.31	-38.18
CCC1=CC=C(C2=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=NO2)C=C1	REAL300020146172	0	45	-1.0	-42.47	368.59	7.49	-34.98
CCC1=CC=C(C2=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=NO2)C=C1	REAL300020146172	1	45	-1.0	-42.52	368.53	7.47	-35.05
CC(C)(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=C(C(F)(F)F)C=C1	REAL300020146173	0	45	-1.0	-46.01	350.98	6.90	-39.11
CC(C)(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=C(C(F)(F)F)C=C1	REAL300020146173	1	45	-1.0	-46.03	351.04	6.92	-39.11
CC(C)(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=C(F)C=C1F	REAL300020146174	0	42	-1.0	-50.49	324.37	5.84	-44.65
CC(C)(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=C(F)C=C1F	REAL300020146174	1	42	-1.0	-50.51	324.42	5.87	-44.64
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)SC(C2=CC=C(C)C=C2F)=N1	REAL300020146175	0	45	-1.0	-42.36	379.43	6.66	-35.70
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)SC(C2=CC=C(C)C=C2F)=N1	REAL300020146175	1	45	-1.0	-42.38	379.38	6.63	-35.75
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)SC(C2=CC=C(F)C(C)=C2)=N1	REAL300020146176	0	45	-1.0	-37.86	379.98	6.73	-31.13
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)SC(C2=CC=C(F)C(C)=C2)=N1	REAL300020146176	1	45	-1.0	-37.83	379.92	6.70	-31.13
COC(=O)C1=NN(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020146177	0	39	-1.0	-59.70	331.01	3.53	-56.17
COC(=O)C1=NN(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020146177	1	39	-1.0	-59.69	330.95	3.50	-56.19
COC(=O)C1=NN(CCCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020146178	0	45	-1.0	-60.25	374.59	4.93	-55.32
COC(=O)C1=NN(CCCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020146178	1	45	-1.0	-60.24	374.53	4.91	-55.33
CCCCC1=NC(C)=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)S1	REAL300020146179	0	47	-1.0	-48.72	385.45	6.27	-42.45
CCCCC1=NC(C)=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)S1	REAL300020146179	1	47	-1.0	-48.72	385.51	6.29	-42.43
CC1=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)SC(C2CCC2)=N1	REAL300020146180	0	45	-1.0	-49.04	368.79	6.09	-42.95
CC1=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)SC(C2CCC2)=N1	REAL300020146180	1	45	-1.0	-49.04	368.85	6.11	-42.93
CC1=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)SC(C2=NN(C)C=C2)=N1	REAL300020146181	0	45	-1.0	-56.37	383.27	4.65	-51.72
CC1=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)SC(C2=NN(C)C=C2)=N1	REAL300020146181	1	45	-1.0	-56.36	383.33	4.68	-51.68
CC(C)(CC1=CC=C(Br)C=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146182	0	45	-1.0	-44.41	358.34	7.12	-37.29
CC(C)(CC1=CC=C(Br)C=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146182	1	45	-1.0	-44.35	358.40	7.15	-37.20
NC1=CC(C(F)(F)F)=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146183	0	38	-1.0	-42.41	321.43	3.47	-38.94
NC1=CC(C(F)(F)F)=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146183	1	38	-1.0	-42.42	321.48	3.50	-38.92
NC1=CC(Cl)=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146184	0	35	-1.0	-42.45	299.48	2.99	-39.46
NC1=CC(Cl)=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146184	1	35	-1.0	-42.42	299.54	3.01	-39.41
NC1=CC([N+](=O)[O-])=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146185	0	37	-1.0	-42.97	310.91	3.14	-39.83
NC1=CC([N+](=O)[O-])=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146185	1	37	-1.0	-42.96	310.97	3.16	-39.80
COC(=O)C1=CC=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146186	0	39	-1.0	-56.92	321.44	5.93	-50.99
COC(=O)C1=CC=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146186	1	39	-1.0	-56.90	321.49	5.95	-50.95
CS(=O)(=O)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(N)=C1	REAL300020146187	0	41	-1.0	-51.90	343.38	0.01	-51.89
CS(=O)(=O)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(N)=C1	REAL300020146187	1	41	-1.0	-51.90	343.44	0.03	-51.87
C=CC(=O)NC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020146188	0	41	-1.0	-53.84	337.96	3.84	-50.00
C=CC(=O)NC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020146188	1	41	-1.0	-53.81	338.01	3.86	-49.95
NC1=CC(Br)=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146189	0	35	-1.0	-42.24	304.05	3.09	-39.15
NC1=CC(Br)=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146189	1	35	-1.0	-42.25	304.10	3.12	-39.13
O=C(C1=CC=C(N2C=CC=C2)C=C1O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146190	0	42	-1.0	-40.02	341.76	4.63	-35.39
O=C(C1=CC=C(N2C=CC=C2)C=C1O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146190	1	42	-1.0	-39.98	341.81	4.65	-35.33
NC1=CC(I)=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146191	0	35	-1.0	-42.09	310.53	3.56	-38.53
NC1=CC(I)=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146191	1	35	-1.0	-42.09	310.59	3.58	-38.51
CCS(=O)(=O)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(N)=C1	REAL300020146192	0	44	-1.0	-50.88	364.84	0.90	-49.98
CCS(=O)(=O)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(N)=C1	REAL300020146192	1	44	-1.0	-50.86	364.90	0.93	-49.93
[N-]=[N+]=NCC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020146193	0	38	-1.0	-46.99	322.02	1.73	-45.26
[N-]=[N+]=NCC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020146193	1	38	-1.0	-47.00	322.08	1.76	-45.24
COC(=O)CCC1=CC=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146194	0	45	-1.0	-51.43	363.96	6.55	-44.88
COC(=O)CCC1=CC=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146194	1	45	-1.0	-51.45	364.02	6.57	-44.88
O=C(C1=CC=C(C2CCC(=O)N2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146195	0	44	-1.0	-51.26	353.81	3.96	-47.30
O=C(C1=CC=C(C2CCC(=O)N2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146195	1	44	-1.0	-51.27	353.87	3.98	-47.29
CC1=NC(C(C)C)=NC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146196	0	43	-1.0	-42.22	342.44	4.20	-38.02
CC1=NC(C(C)C)=NC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146196	1	43	-1.0	-42.22	342.50	4.23	-37.99
CCC(SC1=NC(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)=CS1)C(N)=O	REAL300020146197	0	46	-1.0	-56.43	390.69	1.77	-54.66
CCC(SC1=NC(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)=CS1)C(N)=O	REAL300020146197	1	46	-1.0	-56.40	390.75	1.79	-54.61
O=C([C@@H]1C[C@H]2CC[C@@H](C1)S2(=O)=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146198	0	43	-1.0	-40.86	325.23	1.74	-39.12
O=C([C@@H]1C[C@H]2CC[C@@H](C1)S2(=O)=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146198	1	43	-1.0	-40.82	325.29	1.77	-39.05
O=C(C1=CC=C2C(=O)N=CNC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146199	0	38	-1.0	-47.26	316.36	2.73	-44.53
O=C(C1=CC=C2C(=O)N=CNC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146199	1	38	-1.0	-47.26	316.42	2.76	-44.50
O=C(CNC(=O)N1CCCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146200	0	42	-1.0	-45.94	333.04	2.09	-43.85
O=C(CNC(=O)N1CCCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146200	1	42	-1.0	-45.93	333.10	2.11	-43.82
O=C(CC1=CC=CC=C1N1CCCC1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146201	0	47	-1.0	-59.87	374.11	8.18	-51.69
O=C(CC1=CC=CC=C1N1CCCC1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146201	1	47	-1.0	-59.88	374.17	8.20	-51.68
O=C(C1CCC2=NN=CN2CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146202	0	42	-1.0	-56.49	325.05	5.99	-50.50
O=C(C1CCC2=NN=CN2CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146202	1	42	-1.0	-56.45	325.11	6.02	-50.43
O=C(C1CCCN(C2=NC3=CC=CC=C3S2)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146203	0	50	-1.0	-49.76	400.75	6.55	-43.21
O=C(C1CCCN(C2=NC3=CC=CC=C3S2)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146203	1	50	-1.0	-49.79	400.69	6.52	-43.27
C=CCCCC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020146204	0	49	-1.0	-46.83	386.61	8.58	-38.25
C=CCCCC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020146204	1	49	-1.0	-46.78	386.66	8.61	-38.17
CC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)OCCC2=CC=CC=C21	REAL300020146205	0	44	-1.0	-45.47	334.59	5.35	-40.12
CC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)OCCC2=CC=CC=C21	REAL300020146205	1	44	-1.0	-45.50	334.65	5.38	-40.12
COC1=CC=CC=C1C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(=O)N1	REAL300020146206	0	47	-1.0	-59.21	388.44	4.56	-54.65
COC1=CC=CC=C1C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(=O)N1	REAL300020146206	1	47	-1.0	-59.27	388.38	4.54	-54.73
CC1=CC=C(OC2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C2)N=C1	REAL300020146207	0	46	-1.0	-47.60	376.62	5.40	-42.20
CC1=CC=C(OC2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C2)N=C1	REAL300020146207	1	46	-1.0	-47.55	376.57	5.38	-42.17
CC(=O)N(CC(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020146208	0	43	-1.0	-53.28	340.98	5.33	-47.95
CC(=O)N(CC(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020146208	1	43	-1.0	-53.32	341.04	5.36	-47.96
CCNC1=NC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020146209	0	40	-1.0	-43.30	338.20	4.04	-39.26
CCNC1=NC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1Cl	REAL300020146209	1	40	-1.0	-43.27	338.14	4.01	-39.26
O=C(C1=C(Br)C=NN1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146210	0	30	-1.0	-41.23	275.04	1.66	-39.57
O=C(C1=C(Br)C=NN1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146210	1	30	-1.0	-41.25	275.10	1.68	-39.57
O=C(C1=CC=CC2=NSN=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146211	0	34	-1.0	-54.47	295.98	2.86	-51.61
O=C(C1=CC=CC2=NSN=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146211	1	34	-1.0	-54.42	295.92	2.83	-51.59
O=C(C1=COC2=CC(O)=CC=C12)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146212	0	37	-1.0	-40.45	310.29	2.09	-38.36
O=C(C1=COC2=CC(O)=CC=C12)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146212	1	37	-1.0	-40.48	310.34	2.12	-38.36
COC1=CNC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC1=O	REAL300020146213	0	37	-1.0	-56.33	303.93	2.69	-53.64
COC1=CNC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC1=O	REAL300020146213	1	37	-1.0	-56.30	303.98	2.71	-53.59
O=C(C1=C(F)C=CN=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146214	0	32	-1.0	-47.50	291.46	3.25	-44.25
O=C(C1=C(F)C=CN=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146214	1	32	-1.0	-47.50	291.40	3.23	-44.27
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(=S)NC(=O)N1	REAL300020146215	0	36	-1.0	-60.16	313.03	1.26	-58.90
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(=S)NC(=O)N1	REAL300020146215	1	36	-1.0	-60.14	313.09	1.29	-58.85
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(=S)[N-]C(=O)N1	REAL300020146215	1	35	-2.0	-101.70	309.65	0.55	-101.15
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(=S)[N-]C(=O)N1	REAL300020146215	1	35	-2.0	-101.72	309.70	0.58	-101.14
CC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CC(O)=C1	REAL300020146216	0	40	-1.0	-46.90	320.66	2.95	-43.95
CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC(O)=C1	REAL300020146216	1	40	-1.0	-46.95	320.71	2.97	-43.98
O=C(C1=C(Br)C(=O)[N-]C=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146217	0	31	-2.0	-84.52	281.68	1.56	-82.96
O=C(C1=C(Br)C(=O)NC=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146217	1	32	-1.0	-42.28	285.07	2.71	-39.57
O=C(C1=C(Br)C(=O)[N-]C=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146217	1	31	-2.0	-84.55	281.74	1.59	-82.96
O=C(C1=C(Br)C(=O)NC=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146217	1	32	-1.0	-42.32	285.13	2.74	-39.58
C[NH+](C)CCSC1=NC(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)=CS1	REAL300020146218	0	48	0.0	-79.15	399.72	5.79	-73.36
C[NH+](C)CCSC1=NC(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)=CS1	REAL300020146218	1	48	0.0	-79.12	399.78	5.82	-73.30
O=C(C1=NC=CC=C1C1=CC=CC=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146219	0	41	-1.0	-55.73	337.03	5.07	-50.66
O=C(C1=NC=CC=C1C1=CC=CC=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146219	1	41	-1.0	-55.70	336.97	5.05	-50.65
CCSC1=NC(C)=C(C(CC)C(=O)N2CCCC(C3=N[N-]N=N3)C2)S1	REAL300020146220	0	48	-1.0	-47.32	398.02	6.30	-41.02
CCSC1=NC(C)=C(C(CC)C(=O)N2CCCC(C3=NN=N[N-]3)C2)S1	REAL300020146220	1	48	-1.0	-47.35	398.07	6.32	-41.03
CN(C)C1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)COC2=CC=CC=C2C1	REAL300020146221	0	49	-1.0	-49.68	361.73	5.28	-44.40
CN(C)C1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)COC2=CC=CC=C2C1	REAL300020146221	1	49	-1.0	-49.66	361.79	5.31	-44.35
C[NH+](C)C1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)COC2=CC=CC=C2C1	REAL300020146221	1	50	0.0	-73.92	356.31	5.46	-68.46
CC(C)(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC(C(F)(F)F)=CC=N1	REAL300020146222	0	44	-1.0	-46.97	353.68	5.79	-41.18
CC(C)(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC(C(F)(F)F)=CC=N1	REAL300020146222	1	44	-1.0	-46.91	353.63	5.76	-41.15
O=C(C1=NC=CC=C1NCC1CCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146223	0	47	-1.0	-47.41	372.89	4.45	-42.96
O=C(C1=NC=CC=C1NCC1CCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146223	1	47	-1.0	-47.37	372.83	4.43	-42.94
CC1CNC2=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=NN2C1	REAL300020146224	0	42	-1.0	-45.89	330.18	2.53	-43.36
CC1CNC2=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=NN2C1	REAL300020146224	1	42	-1.0	-45.91	330.13	2.50	-43.41
CCNC1=CC=CN=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146225	0	40	-1.0	-47.33	324.78	2.38	-44.95
CCNC1=CC=CN=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146225	1	40	-1.0	-47.34	324.72	2.35	-44.99
COCCNC1=NC(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)=CS1	REAL300020146226	0	44	-1.0	-54.75	370.12	2.41	-52.34
COCCNC1=NC(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)=CS1	REAL300020146226	1	44	-1.0	-54.75	370.18	2.44	-52.31
CC1=CC=C(Cl)C=C1OCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146227	0	40	-1.0	-48.20	340.39	6.59	-41.61
CC1=CC=C(Cl)C=C1OCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146227	1	40	-1.0	-48.23	340.45	6.62	-41.61
CC1=CC(C(F)(F)F)=NC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL300020146228	0	37	-1.0	-48.92	324.03	3.99	-44.93
CC1=CC(C(F)(F)F)=NC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL300020146228	1	37	-1.0	-48.94	324.08	4.02	-44.92
O=C(C1=C(C(F)F)C=CS1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146229	0	33	-1.0	-41.55	290.23	4.39	-37.16
O=C(C1=C(C(F)F)C=CS1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146229	1	33	-1.0	-41.59	290.28	4.41	-37.18
O=C([C@@H]1C[C@H]1C1=CC=CC(C(F)(F)F)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146230	0	43	-1.0	-49.79	360.56	7.75	-42.04
O=C([C@@H]1C[C@H]1C1=CC=CC(C(F)(F)F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146230	1	43	-1.0	-49.80	360.61	7.77	-42.03
CCOC(=O)C(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C(C)C	REAL300020146231	0	44	-1.0	-49.09	343.90	5.16	-43.93
CCOC(=O)C(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C(C)C	REAL300020146231	1	44	-1.0	-49.07	343.96	5.19	-43.88
O=C(C1=CSC(NC2CCCCC2)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146232	0	47	-1.0	-39.78	375.55	5.80	-33.98
O=C(C1=CSC(NC2CCCCC2)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146232	1	47	-1.0	-39.77	375.49	5.77	-34.00
CC1(C)CCC(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)OC1	REAL300020146233	0	46	-1.0	-48.86	345.66	5.45	-43.41
CC1(C)CCC(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)OC1	REAL300020146233	1	46	-1.0	-48.89	345.72	5.47	-43.42
CC(C)(CC(=O)N1CCCC(C2=N[N-]N=N2)C1)CC(F)F	REAL300020146234	0	41	-1.0	-46.76	312.44	5.08	-41.68
CC(C)(CC(=O)N1CCCC(C2=NN=N[N-]2)C1)CC(F)F	REAL300020146234	1	41	-1.0	-46.75	312.50	5.10	-41.65
O=C(CN1CCCCS1(=O)=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146235	0	41	-1.0	-60.57	332.17	1.07	-59.50
O=C(CN1CCCCS1(=O)=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146235	1	41	-1.0	-60.54	332.23	1.09	-59.45
O=C(C1=CC=C(OC(F)F)C(Cl)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146236	0	37	-1.0	-46.14	325.11	4.56	-41.58
O=C(C1=CC=C(OC(F)F)C(Cl)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146236	1	37	-1.0	-46.13	325.16	4.59	-41.54
CC1=CC2=CC=CC=C2N=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146237	0	41	-1.0	-48.66	335.19	5.44	-43.22
CC1=CC2=CC=CC=C2N=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146237	1	41	-1.0	-48.64	335.13	5.41	-43.23
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C2=CNN=C2C=C1	REAL300020146238	0	39	-1.0	-46.48	320.70	3.83	-42.65
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C2=CNN=C2C=C1	REAL300020146238	1	39	-1.0	-46.45	320.76	3.86	-42.59
O=C(C1CCOC2=C(F)C=CC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146239	0	41	-1.0	-48.52	328.36	5.13	-43.39
O=C(C1CCOC2=C(F)C=CC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146239	1	41	-1.0	-48.51	328.42	5.16	-43.35
CS(=O)(=O)C1CCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300020146240	0	45	-1.0	-46.47	345.05	1.93	-44.54
CS(=O)(=O)C1CCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020146240	1	45	-1.0	-46.53	345.11	1.96	-44.57
O=C(CN1N=CC2=CC=CN=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146241	0	38	-1.0	-55.40	318.34	4.21	-51.19
O=C(CN1N=CC2=CC=CN=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146241	1	38	-1.0	-55.40	318.28	4.19	-51.21
CC(C)N1C(=O)CC[C@H]1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146242	0	43	-1.0	-52.83	329.05	4.12	-48.71
CC(C)N1C(=O)CC[C@H]1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146242	1	43	-1.0	-52.89	329.10	4.15	-48.74
O=C(CN1N=C(C(F)F)C=C1C1CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146243	0	43	-1.0	-51.59	361.32	5.61	-45.98
O=C(CN1N=C(C(F)F)C=C1C1CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146243	1	43	-1.0	-51.57	361.38	5.64	-45.93
O=C(C1=CC=C(C2=CC=CC(F)=C2)S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146244	0	40	-1.0	-42.71	343.89	7.18	-35.53
O=C(C1=CC=C(C2=CC=CC(F)=C2)S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146244	1	40	-1.0	-42.76	343.95	7.20	-35.56
CCC(CC1=CC=CC(C)=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146245	0	48	-1.0	-45.32	371.32	7.86	-37.46
CCC(CC1=CC=CC(C)=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146245	1	48	-1.0	-45.36	371.38	7.89	-37.47
CC(C)(C)OC1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020146246	0	46	-1.0	-45.79	349.24	5.53	-40.26
CC(C)(C)OC1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020146246	1	46	-1.0	-45.78	349.29	5.55	-40.23
CC1=CC=C([N+](=O)[O-])C(C)=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146247	0	41	-1.0	-46.41	335.85	6.17	-40.24
CC1=CC=C([N+](=O)[O-])C(C)=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146247	1	41	-1.0	-46.40	335.90	6.20	-40.20
CO[C@]12CCC[C@@]1(C(=O)N1CCCC(C3=N[N-]N=N3)C1)CCO2	REAL300020146248	0	45	-1.0	-50.44	327.58	4.17	-46.27
CO[C@]12CCC[C@@]1(C(=O)N1CCCC(C3=NN=N[N-]3)C1)CCO2	REAL300020146248	1	45	-1.0	-50.47	327.64	4.19	-46.28
COC1=CC(C2(C(=O)N3CCCC(C4=N[N-]N=N4)C3)CCCC2)=CC(OC)=C1	REAL300020146249	0	54	-1.0	-49.06	399.43	6.25	-42.81
COC1=CC(C2(C(=O)N3CCCC(C4=NN=N[N-]4)C3)CCCC2)=CC(OC)=C1	REAL300020146249	1	54	-1.0	-49.06	399.49	6.28	-42.78
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C2CCCCO2)CCOCC1	REAL300020146250	0	51	-1.0	-44.07	357.64	3.37	-40.70
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C2CCCCO2)CCOCC1	REAL300020146250	1	51	-1.0	-44.11	357.70	3.40	-40.71
CC(C)(C)OC(=O)NCC12CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)(C1)C2	REAL300020146251	0	54	-1.0	-49.06	414.31	4.49	-44.57
CC(C)(C)OC(=O)NCC12CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)(C1)C2	REAL300020146251	1	54	-1.0	-49.07	414.37	4.52	-44.55
CC(C)(C)OC(=O)NC1CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1(C)C	REAL300020146252	0	56	-1.0	-48.53	415.73	4.67	-43.86
CC(C)(C)OC(=O)NC1CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1(C)C	REAL300020146252	1	56	-1.0	-48.55	415.78	4.70	-43.85
CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300020146253	0	56	-1.0	-50.76	417.24	5.19	-45.57
CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020146253	1	56	-1.0	-50.77	417.30	5.22	-45.55
CC(C)(C)OC(=O)NC[C@@H]1[C@H](C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1(F)F	REAL300020146254	0	50	-1.0	-54.15	398.35	3.69	-50.46
CC(C)(C)OC(=O)NC[C@@H]1[C@H](C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1(F)F	REAL300020146254	1	50	-1.0	-54.21	398.40	3.72	-50.49
CC(C)(C)OC(=O)N1CC[C@]2(C(=O)N3CCCC(C4=N[N-]N=N4)C3)CCC[C@H]12	REAL300020146255	0	57	-1.0	-53.76	416.98	6.14	-47.62
CC(C)(C)OC(=O)N1CC[C@]2(C(=O)N3CCCC(C4=NN=N[N-]4)C3)CCC[C@H]12	REAL300020146255	1	57	-1.0	-53.74	417.04	6.16	-47.58
CN1N=CC(CNC(=O)OC(C)(C)C)=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146256	0	53	-1.0	-46.58	424.36	2.76	-43.82
CN1N=CC(CNC(=O)OC(C)(C)C)=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146256	1	53	-1.0	-46.59	424.30	2.73	-43.86
CC1=CC=C2OCC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CC2=C1	REAL300020146257	0	42	-1.0	-43.89	341.54	5.74	-38.15
CC1=CC=C2OCC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=CC2=C1	REAL300020146257	1	42	-1.0	-43.87	341.59	5.77	-38.10
O=C(C1CNC(=O)CC1C(F)(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146258	0	40	-1.0	-46.93	318.90	1.35	-45.58
O=C(C1CNC(=O)CC1C(F)(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146258	1	40	-1.0	-46.97	318.96	1.38	-45.59
COC1=CC=C(C=CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1OC	REAL300020146259	0	45	-1.0	-50.17	362.09	5.15	-45.02
COC1=CC=C(C=CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020146259	1	45	-1.0	-50.16	362.15	5.17	-44.99
O=C(C=CC1=CC=C(SC(F)F)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146260	0	41	-1.0	-39.10	353.07	7.19	-31.91
O=C(C=CC1=CC=C(SC(F)F)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146260	1	41	-1.0	-39.11	353.13	7.22	-31.89
O=C(C=CC1=CC=C(I)O1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146261	0	34	-1.0	-39.43	314.34	5.32	-34.11
O=C(C=CC1=CC=C(I)O1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146261	1	34	-1.0	-39.46	314.40	5.34	-34.12
CC=C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146262	0	57	-1.0	-46.94	438.99	6.71	-40.23
CC=C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146262	1	57	-1.0	-46.98	439.05	6.74	-40.24
COC(=O)CC[C@@H]1CC[C@H](C(=O)N2CCCC(C3=N[N-]N=N3)C2)O1	REAL300020146263	0	46	-1.0	-54.30	364.92	5.18	-49.12
COC(=O)CC[C@@H]1CC[C@H](C(=O)N2CCCC(C3=NN=N[N-]3)C2)O1	REAL300020146263	1	46	-1.0	-54.29	364.98	5.21	-49.08
COC(=O)[C@@H]1CO[C@H](CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020146264	0	46	-1.0	-51.17	367.12	4.25	-46.92
COC(=O)[C@@H]1CO[C@H](CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020146264	1	46	-1.0	-51.14	367.18	4.28	-46.86
CC(C)(C)OC(=O)C=CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CO1	REAL300020146265	0	49	-1.0	-46.14	394.99	6.65	-39.49
CC(C)(C)OC(=O)C=CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CO1	REAL300020146265	1	49	-1.0	-46.13	395.05	6.68	-39.45
COC1=CC=C(OC)C(C=CC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020146266	0	45	-1.0	-43.06	361.30	4.59	-38.47
COC1=CC=C(OC)C(C=CC(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020146266	1	45	-1.0	-43.05	361.36	4.61	-38.44
CC(C)(C)OC(=O)C1=CC=C(C=CC(=O)N2CCCC(C3=N[N-]N=N3)C2)O1	REAL300020146267	0	49	-1.0	-41.77	399.29	7.01	-34.76
CC(C)(C)OC(=O)C1=CC=C(C=CC(=O)N2CCCC(C3=NN=N[N-]3)C2)O1	REAL300020146267	1	49	-1.0	-41.83	399.34	7.04	-34.79
CC(C)(C)OC(=O)[C@@H]1CC[C@H]1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146268	0	48	-1.0	-48.92	370.06	6.33	-42.59
CC(C)(C)OC(=O)[C@@H]1CC[C@H]1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146268	1	48	-1.0	-48.94	370.12	6.36	-42.58
O=C(CC1=CC=C(Cl)C=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146269	0	35	-1.0	-51.86	304.92	4.32	-47.54
O=C(CC1=CC=C(Cl)C=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146269	1	35	-1.0	-51.89	304.98	4.35	-47.54
O=C(CC1=CC=CC2=NC=CC=C12)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146270	0	41	-1.0	-51.28	332.43	5.67	-45.61
O=C(CC1=CC=CC2=NC=CC=C12)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146270	1	41	-1.0	-51.32	332.49	5.70	-45.62
O=C(CC1=CC2=NC=CC=C2C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146271	0	41	-1.0	-52.75	335.78	5.80	-46.95
O=C(CC1=CC2=NC=CC=C2C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146271	1	41	-1.0	-52.72	335.84	5.82	-46.90
O=C(CC1=CSC(C2CCCC2)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146272	0	45	-1.0	-49.24	365.14	5.66	-43.58
O=C(CC1=CSC(C2CCCC2)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146272	1	45	-1.0	-49.27	365.20	5.69	-43.58
CC1(C)CCC2=C(C1)C(C(=O)N1CCCC(C3=N[N-]N=N3)C1)=NO2	REAL300020146273	0	45	-1.0	-42.94	343.30	5.95	-36.99
CC1(C)CCC2=C(C1)C(C(=O)N1CCCC(C3=NN=N[N-]3)C1)=NO2	REAL300020146273	1	45	-1.0	-42.93	343.36	5.98	-36.95
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)SC(C2=CC=C(C)C=C2)=N1	REAL300020146274	0	45	-1.0	-39.87	375.75	6.67	-33.20
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)SC(C2=CC=C(C)C=C2)=N1	REAL300020146274	1	45	-1.0	-39.85	375.69	6.64	-33.21
O=C(C(O)C1=CC=C(C(F)(F)F)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146275	0	40	-1.0	-46.80	335.09	4.17	-42.63
O=C(C(O)C1=CC=C(C(F)(F)F)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146275	1	40	-1.0	-46.80	335.15	4.19	-42.61
O=C(C1CC(=O)N(OCC2=CC=CC=C2)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146276	0	48	-1.0	-50.17	389.14	6.32	-43.85
O=C(C1CC(=O)N(OCC2=CC=CC=C2)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146276	1	48	-1.0	-50.19	389.20	6.35	-43.84
O=C(N1CCCC(C2=N[N-]N=N2)C1)C(F)(F)C1=CC(F)=CC(F)=C1	REAL300020146277	0	36	-1.0	-36.73	314.76	5.53	-31.20
O=C(N1CCCC(C2=NN=N[N-]2)C1)C(F)(F)C1=CC(F)=CC(F)=C1	REAL300020146277	1	36	-1.0	-36.75	314.82	5.55	-31.20
CCN1N=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1Br	REAL300020146278	0	36	-1.0	-44.89	314.66	3.51	-41.38
CCN1N=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1Br	REAL300020146278	1	36	-1.0	-44.90	314.60	3.49	-41.41
O=C(CC1=CSC(C2CC2)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146279	0	39	-1.0	-49.82	331.20	4.62	-45.20
O=C(CC1=CSC(C2CC2)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146279	1	39	-1.0	-49.86	331.25	4.64	-45.22
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=CN1CC1=CC=CC=C1	REAL300020146280	0	47	-1.0	-49.92	376.82	8.48	-41.44
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=CN1CC1=CC=CC=C1	REAL300020146280	1	47	-1.0	-49.94	376.87	8.51	-41.43
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C(F)(F)F)=CO1	REAL300020146281	0	36	-1.0	-47.63	318.05	4.54	-43.09
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C(F)(F)F)=CO1	REAL300020146281	1	36	-1.0	-47.62	318.11	4.56	-43.06
CC(C)(C)C1=NC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CO1	REAL300020146282	0	41	-1.0	-43.80	329.71	2.93	-40.87
CC(C)(C)C1=NC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CO1	REAL300020146282	1	41	-1.0	-43.84	329.65	2.90	-40.94
C=CCNS(=O)(=O)C1=CC=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)S1	REAL300020146283	0	45	-1.0	-54.74	397.56	2.19	-52.55
C=CCNS(=O)(=O)C1=CC=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)S1	REAL300020146283	1	45	-1.0	-54.72	397.62	2.21	-52.51
O=C(CCC1CCC2=CC=CC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146284	0	46	-1.0	-49.28	358.47	7.98	-41.30
O=C(CCC1CCC2=CC=CC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146284	1	46	-1.0	-49.29	358.53	8.00	-41.29
O=C(C1=CC(C(F)(F)F)=CC=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146285	0	35	-1.0	-38.22	303.49	4.51	-33.71
O=C(C1=CC(C(F)(F)F)=CC=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146285	1	35	-1.0	-38.21	303.43	4.48	-33.73
CC1(C)COC(CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020146286	0	46	-1.0	-46.01	353.31	4.72	-41.29
CC1(C)COC(CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020146286	1	46	-1.0	-45.97	353.37	4.74	-41.23
CC1=NN(C2CCOCC2)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146287	0	47	-1.0	-47.54	366.70	3.66	-43.88
CC1=NN(C2CCOCC2)C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146287	1	47	-1.0	-47.49	366.76	3.69	-43.80
CC(C)(CC(=O)N1CCCC(C2=N[N-]N=N2)C1)CC(F)(F)F	REAL300020146288	0	41	-1.0	-48.25	316.27	5.16	-43.09
CC(C)(CC(=O)N1CCCC(C2=NN=N[N-]2)C1)CC(F)(F)F	REAL300020146288	1	41	-1.0	-48.30	316.33	5.18	-43.12
COC1=CC=C(CCCCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1OC	REAL300020146289	0	53	-1.0	-50.45	417.84	7.02	-43.43
COC1=CC=C(CCCCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020146289	1	53	-1.0	-50.49	417.90	7.04	-43.45
COC1=CC=C2CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)CCC2=C1	REAL300020146290	0	47	-1.0	-38.16	362.61	6.24	-31.92
COC1=CC=C2CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)CCC2=C1	REAL300020146290	1	47	-1.0	-38.19	362.67	6.26	-31.93
CC(C)(C)C12CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)(C1)C2	REAL300020146291	0	46	-1.0	-45.35	350.58	6.58	-38.77
CC(C)(C)C12CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)(C1)C2	REAL300020146291	1	46	-1.0	-45.35	350.64	6.61	-38.74
CN1N=C(C(F)(F)F)C2=C1SC(C(=O)N1CCCC(C3=NN=N[N-]3)C1)=C2	REAL300020146292	0	39	-1.0	-37.32	350.05	4.42	-32.90
CN1N=C(C(F)(F)F)C2=C1SC(C(=O)N1CCCC(C3=N[N-]N=N3)C1)=C2	REAL300020146292	1	39	-1.0	-37.30	349.99	4.39	-32.91
CC1=CC(C)=NC(N2CCC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)CC2)=N1	REAL300020146293	0	52	-1.0	-50.70	401.34	6.64	-44.06
CC1=CC(C)=NC(N2CCC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)CC2)=N1	REAL300020146293	1	52	-1.0	-50.73	401.40	6.67	-44.06
O=C(C1=NC=C2C=CSC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146294	0	35	-1.0	-40.96	301.84	4.88	-36.08
O=C(C1=NC=C2C=CSC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146294	1	35	-1.0	-40.97	301.78	4.85	-36.12
O=C(CCN1CC2=CC=CC=C2C1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146295	0	44	-1.0	-53.45	359.50	5.62	-47.83
O=C(CCN1CC2=CC=CC=C2C1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146295	1	44	-1.0	-53.43	359.56	5.65	-47.78
CC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)N1C=CC(C2CC2)=N1	REAL300020146296	0	43	-1.0	-49.94	344.42	5.19	-44.75
CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)N1C=CC(C2CC2)=N1	REAL300020146296	1	43	-1.0	-49.95	344.48	5.21	-44.74
CC1=NN2C=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)N=C2S1	REAL300020146297	0	35	-1.0	-47.03	304.97	3.94	-43.09
CC1=NN2C=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)N=C2S1	REAL300020146297	1	35	-1.0	-46.99	305.02	3.97	-43.02
CC(C)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(=O)N1	REAL300020146298	0	42	-1.0	-59.09	339.15	3.50	-55.59
CC(C)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(=O)N1	REAL300020146298	1	42	-1.0	-59.07	339.21	3.53	-55.54
O=C(C1=C(C(F)F)N2N=CC=C2N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146299	0	38	-1.0	-45.31	320.60	3.93	-41.38
O=C(C1=C(C(F)F)N2N=CC=C2N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146299	1	38	-1.0	-45.36	320.65	3.96	-41.40
O=C(C1=CC=CC=C1C1=NC=CN1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146300	0	40	-1.0	-57.46	324.66	5.70	-51.76
O=C(C1=CC=CC=C1C1=NC=CN1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146300	1	40	-1.0	-57.46	324.72	5.73	-51.73
O=C(C1=CN2CCCCC2=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146301	0	40	-1.0	-46.44	314.04	5.41	-41.03
O=C(C1=CN2CCCCC2=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146301	1	40	-1.0	-46.44	314.09	5.44	-41.00
CN1N=CC2=CC(CC(=O)N3CCCC(C4=NN=N[N-]4)C3)=CC=C21	REAL300020146302	0	42	-1.0	-51.87	344.08	5.44	-46.43
CN1N=CC2=CC(CC(=O)N3CCCC(C4=N[N-]N=N4)C3)=CC=C21	REAL300020146302	1	42	-1.0	-51.86	344.03	5.42	-46.44
COC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C2=CN=CC=C12	REAL300020146303	0	42	-1.0	-50.29	338.10	4.26	-46.03
COC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C2=CN=CC=C12	REAL300020146303	1	42	-1.0	-50.29	338.04	4.24	-46.05
COC1=CC=C(Cl)C=C1C(F)(F)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146304	0	40	-1.0	-42.92	345.78	5.30	-37.62
COC1=CC=C(Cl)C=C1C(F)(F)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146304	1	40	-1.0	-42.92	345.83	5.33	-37.59
O=C([C@H]1CC[C@H](OC(F)F)CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146305	0	43	-1.0	-47.61	337.18	4.13	-43.48
O=C([C@H]1CC[C@H](OC(F)F)CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146305	1	43	-1.0	-47.62	337.24	4.16	-43.46
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C(C(C)(C)C)O1	REAL300020146306	0	45	-1.0	-44.30	354.84	6.10	-38.20
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C(C(C)(C)C)O1	REAL300020146306	1	45	-1.0	-44.27	354.89	6.12	-38.15
O=C(C1=CN=C(F)C(Cl)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146307	0	32	-1.0	-41.48	288.09	3.15	-38.33
O=C(C1=CN=C(F)C(Cl)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146307	1	32	-1.0	-41.45	288.03	3.12	-38.33
CN1N=C(C2CC2)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146308	0	40	-1.0	-43.59	320.80	4.27	-39.32
CN1N=C(C2CC2)C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146308	1	40	-1.0	-43.59	320.86	4.30	-39.29
CCC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC(Cl)=N1	REAL300020146309	0	38	-1.0	-42.11	323.01	4.47	-37.64
CCC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC(Cl)=N1	REAL300020146309	1	38	-1.0	-42.13	323.07	4.50	-37.63
CC1=CC(C#N)=CC(C)=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146310	0	40	-1.0	-44.92	334.00	6.02	-38.90
CC1=CC(C#N)=CC(C)=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146310	1	40	-1.0	-44.93	334.06	6.05	-38.88
CCC1=C(C)C=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(=O)N1	REAL300020146311	0	42	-1.0	-48.63	332.90	3.28	-45.35
CCC1=C(C)C=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(=O)N1	REAL300020146311	1	42	-1.0	-48.62	332.96	3.31	-45.31
COC1=CC=CN2N=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C12	REAL300020146312	0	40	-1.0	-52.97	326.03	4.19	-48.78
COC1=CC=CN2N=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C12	REAL300020146312	1	40	-1.0	-52.94	325.97	4.16	-48.78
O=C(C1=CN(C2CCC2)N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146313	0	40	-1.0	-45.58	318.56	4.20	-41.38
O=C(C1=CN(C2CCC2)N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146313	1	40	-1.0	-45.60	318.50	4.18	-41.42
CC1=CN2N=NC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C2C(=O)N1	REAL300020146314	0	38	-1.0	-55.90	314.82	2.28	-53.62
CC1=CN2N=NC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C2C(=O)N1	REAL300020146314	1	38	-1.0	-55.89	314.88	2.31	-53.58
O=C(C1=CC=NN1C1CCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146315	0	40	-1.0	-44.81	314.42	4.43	-40.38
O=C(C1=CC=NN1C1CCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146315	1	40	-1.0	-44.82	314.36	4.40	-40.42
O=C(C1=CC(C(F)F)=NC=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146316	0	34	-1.0	-39.07	292.82	4.23	-34.84
O=C(C1=CC(C(F)F)=NC=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146316	1	34	-1.0	-39.05	292.88	4.26	-34.79
O=C(C1=C(C2CC2)OC(C2CC2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146317	0	44	-1.0	-45.43	358.77	7.33	-38.10
O=C(C1=C(C2CC2)OC(C2CC2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146317	1	44	-1.0	-45.50	358.83	7.35	-38.15
O=C(C1=CC(S(=O)(=O)F)=CN1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146318	0	34	-1.0	-51.82	302.12	-0.10	-51.92
O=C(C1=CC(S(=O)(=O)F)=CN1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146318	1	34	-1.0	-51.84	302.18	-0.08	-51.92
N#CC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC2CCC1C2	REAL300020146319	0	41	-1.0	-42.87	310.43	4.69	-38.18
N#CC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC2CCC1C2	REAL300020146319	1	41	-1.0	-42.89	310.49	4.71	-38.18
CCOC(=O)N(C)CCCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146320	0	46	-1.0	-54.57	369.32	4.51	-50.06
CCOC(=O)N(C)CCCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146320	1	46	-1.0	-54.53	369.38	4.53	-50.00
O=C(CC1CCC2(CCC2)CO1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146321	0	47	-1.0	-49.37	353.77	6.05	-43.32
O=C(CC1CCC2(CCC2)CO1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146321	1	47	-1.0	-49.33	353.83	6.08	-43.25
O=C(CC1CCC2(CCOCC2)CO1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146322	0	51	-1.0	-50.21	371.77	4.69	-45.52
O=C(CC1CCC2(CCOCC2)CO1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146322	1	51	-1.0	-50.16	371.82	4.71	-45.45
O=C(C1CC2CCC(C1)S2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146323	0	41	-1.0	-47.93	308.64	5.31	-42.62
O=C(C1CC2CCC(C1)S2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146323	1	41	-1.0	-47.95	308.70	5.33	-42.62
CC1=CC(C)=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C)=C1Br	REAL300020146324	0	45	-1.0	-47.87	365.08	7.56	-40.31
CC1=CC(C)=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C)=C1Br	REAL300020146324	1	45	-1.0	-47.89	365.14	7.59	-40.30
O=C(C1=CSC=C1C(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146325	0	33	-1.0	-53.29	291.77	4.37	-48.92
O=C(C1=CSC=C1C(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146325	1	33	-1.0	-53.34	291.83	4.40	-48.94
COC1=CC=C(CCCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1OC	REAL300020146326	0	50	-1.0	-52.92	396.34	6.24	-46.68
COC1=CC=C(CCCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020146326	1	50	-1.0	-52.92	396.40	6.26	-46.66
O=C([C@@H]1[C@@H](C2=CC=CC=C2)C1(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146327	0	40	-1.0	-45.31	332.10	6.80	-38.51
O=C([C@@H]1[C@@H](C2=CC=CC=C2)C1(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146327	1	40	-1.0	-45.32	332.16	6.83	-38.49
CCOC1=CC=C(CCCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1OCC	REAL300020146328	0	56	-1.0	-52.74	440.05	8.08	-44.66
CCOC1=CC=C(CCCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1OCC	REAL300020146328	1	56	-1.0	-52.77	440.11	8.10	-44.67
O=C(CCC1=CC=CC(O)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146329	0	40	-1.0	-46.89	327.09	3.39	-43.50
O=C(CCC1=CC=CC(O)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146329	1	40	-1.0	-46.93	327.14	3.42	-43.51
O=C(C1=CN=C(Cl)C=C1C(F)(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146330	0	35	-1.0	-36.77	316.11	3.98	-32.79
O=C(C1=CN=C(Cl)C=C1C(F)(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146330	1	35	-1.0	-36.80	316.06	3.95	-32.85
O=C(C1=CC=CC2=C1C(=O)N=CN2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146331	0	38	-1.0	-77.84	312.23	4.15	-73.69
O=C(C1=CC=CC2=C1C(=O)N=CN2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146331	1	38	-1.0	-77.78	312.29	4.18	-73.60
CC1=CC(O)=CC=C1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146332	0	40	-1.0	-48.16	322.44	3.08	-45.08
CC1=CC(O)=CC=C1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146332	1	40	-1.0	-48.16	322.50	3.10	-45.06
C[NH+](C)CCC1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020146333	0	48	0.0	-72.56	370.78	7.17	-65.39
C[NH+](C)CCC1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020146333	1	48	0.0	-72.58	370.84	7.19	-65.39
O=C(C1=CNC2=CC(=O)C=CC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146334	0	39	-1.0	-55.65	320.31	4.21	-51.44
O=C(C1=CNC2=CC(=O)C=CC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146334	1	39	-1.0	-55.58	320.36	4.23	-51.35
CC1(C)OC[C@H](C=CC(=O)N2CCCC(C3=N[N-]N=N3)C2)O1	REAL300020146335	0	42	-1.0	-47.46	337.11	3.40	-44.06
CC1(C)OC[C@H](C=CC(=O)N2CCCC(C3=NN=N[N-]3)C2)O1	REAL300020146335	1	42	-1.0	-47.42	337.16	3.43	-43.99
O=C(C1=C(Cl)C=CN=C1Br)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146336	0	32	-1.0	-45.88	305.35	3.70	-42.18
O=C(C1=C(Cl)C=CN=C1Br)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146336	1	32	-1.0	-45.86	305.29	3.68	-42.18
CS(=O)(=O)CC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)COC1	REAL300020146337	0	40	-1.0	-68.00	323.28	-1.34	-69.34
CS(=O)(=O)CC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)COC1	REAL300020146337	1	40	-1.0	-67.94	323.34	-1.31	-69.25
O=C([C@@H]1CC[C@H](CN2C=CN=C2)O1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146338	0	44	-1.0	-56.94	350.46	6.16	-50.78
O=C([C@@H]1CC[C@H](CN2C=CN=C2)O1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146338	1	44	-1.0	-56.96	350.52	6.19	-50.77
O=CC1=CC=C(C2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C2)C=C1	REAL300020146339	0	45	-1.0	-50.24	367.81	7.58	-42.66
O=CC1=CC=C(C2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C2)C=C1	REAL300020146339	1	45	-1.0	-50.23	367.87	7.61	-42.62
CC(C)CN1C=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL300020146340	0	42	-1.0	-48.29	328.79	5.11	-43.18
CC(C)CN1C=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL300020146340	1	42	-1.0	-48.30	328.74	5.09	-43.21
O=C(CCCC1=CC=C(Br)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146341	0	42	-1.0	-48.65	358.86	7.65	-41.00
O=C(CCCC1=CC=C(Br)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146341	1	42	-1.0	-48.64	358.92	7.68	-40.96
O=C(C1=NN(C2=CC(F)=CC(F)=C2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146342	0	40	-1.0	-46.12	341.25	6.33	-39.79
O=C(C1=NN(C2=CC(F)=CC(F)=C2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146342	1	40	-1.0	-46.11	341.20	6.31	-39.80
O=C(CCCCC1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146343	0	45	-1.0	-46.90	359.09	7.82	-39.08
O=C(CCCCC1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146343	1	45	-1.0	-46.91	359.15	7.85	-39.06
O=C(C1=NN2CCCC2=C1Br)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146344	0	37	-1.0	-44.80	315.87	4.28	-40.52
O=C(C1=NN2CCCC2=C1Br)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146344	1	37	-1.0	-44.82	315.93	4.30	-40.52
C=CCC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CN(C(=O)OC(C)(C)C)C1	REAL300020146345	0	54	-1.0	-55.68	413.18	5.30	-50.38
C=CCC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CN(C(=O)OC(C)(C)C)C1	REAL300020146345	1	54	-1.0	-55.70	413.23	5.32	-50.38
O=C(CC1=CN=C2NC=CC(Cl)=C12)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146346	0	39	-1.0	-59.06	333.74	5.14	-53.92
O=C(CC1=CN=C2NC=CC(Cl)=C12)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146346	1	39	-1.0	-59.09	333.80	5.17	-53.92
O=C(C1=CC(Br)=CN(C2CC2)C1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146347	0	40	-1.0	-50.38	340.74	5.29	-45.09
O=C(C1=CC(Br)=CN(C2CC2)C1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146347	1	40	-1.0	-50.40	340.80	5.32	-45.08
COC(=O)C1=NC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CS1	REAL300020146348	0	35	-1.0	-50.25	311.86	3.06	-47.19
COC(=O)C1=NC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CS1	REAL300020146348	1	35	-1.0	-50.22	311.81	3.04	-47.18
CCNC1=CC=C(C)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146349	0	44	-1.0	-44.87	345.50	4.91	-39.96
CCNC1=CC=C(C)C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146349	1	44	-1.0	-44.83	345.56	4.94	-39.89
O=C(C1=C(Cl)C=CC=C1C(F)(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146350	0	36	-1.0	-49.43	322.87	5.98	-43.45
O=C(C1=C(Cl)C=CC=C1C(F)(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146350	1	36	-1.0	-49.44	322.92	6.01	-43.43
CC1=C2OC=C(CC(=O)N3CCCC(C4=N[N-]N=N4)C3)C2=CC=C1Cl	REAL300020146351	0	42	-1.0	-50.15	357.91	6.89	-43.26
CC1=C2OC=C(CC(=O)N3CCCC(C4=NN=N[N-]4)C3)C2=CC=C1Cl	REAL300020146351	1	42	-1.0	-50.16	357.96	6.91	-43.25
NC1=C([N+](=O)[O-])C2=CC=CC=C2C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146352	0	43	-1.0	-47.37	357.61	5.74	-41.63
NC1=C([N+](=O)[O-])C2=CC=CC=C2C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146352	1	43	-1.0	-47.36	357.67	5.76	-41.60
CN(C)CC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)O1	REAL300020146353	0	41	-1.0	-43.86	328.20	2.30	-41.56
CN(C)CC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)O1	REAL300020146353	1	41	-1.0	-43.88	328.26	2.33	-41.55
C[NH+](C)CC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)O1	REAL300020146353	1	42	0.0	-51.59	330.55	4.79	-46.80
CC(C)[N@@H+]1CCCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020146354	0	48	0.0	-65.63	348.57	5.85	-59.78
CC(C)[N@H+]1CCCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020146354	1	48	0.0	-65.81	348.78	5.85	-59.96
CC(C)[N@@H+]1CCCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020146354	1	48	0.0	-65.67	348.63	5.87	-59.80
CC(C)[N@H+]1CCCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020146354	1	48	0.0	-65.84	348.84	5.88	-59.96
O=C(C1=CC=C(CN2CCCC2)O1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146355	0	45	-1.0	-39.39	353.38	3.40	-35.99
O=C(C1=CC=C(C[NH+]2CCCC2)O1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146355	1	46	0.0	-50.65	357.01	6.01	-44.64
O=C(C1=CC=C(CN2CCCC2)O1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146355	1	45	-1.0	-39.43	353.44	3.42	-36.01
CC(=O)NC1=CN=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146356	0	39	-1.0	-45.31	318.63	1.79	-43.52
CC(=O)NC1=CN=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146356	1	39	-1.0	-45.32	318.57	1.76	-43.56
CCC[N@@H+]1CCCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020146357	0	48	0.0	-46.99	344.25	6.17	-40.82
CCC[N@H+]1CCCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020146357	1	48	0.0	-64.67	343.47	5.94	-58.73
CCC[N@@H+]1CCCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020146357	1	48	0.0	-47.01	344.31	6.20	-40.81
CCC[N@H+]1CCCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020146357	1	48	0.0	-64.73	343.53	5.96	-58.77
C[N@@H+]1CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C(F)(F)F)C1	REAL300020146358	0	42	0.0	-76.16	330.34	4.67	-71.49
C[N@H+]1CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C(F)(F)F)C1	REAL300020146358	1	42	0.0	-80.33	315.71	5.15	-75.18
C[N@@H+]1CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C(F)(F)F)C1	REAL300020146358	1	42	0.0	-76.20	330.40	4.69	-71.51
C[N@H+]1CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C(F)(F)F)C1	REAL300020146358	1	42	0.0	-80.33	315.76	5.17	-75.16
CC(C)(C(=O)N1CCCC(C2=N[N-]N=N2)C1)[C@@H]1CCC[C@H](C(F)(F)F)N1	REAL300020146359	0	50	-1.0	-47.24	369.63	4.16	-43.08
CC(C)(C(=O)N1CCCC(C2=NN=N[N-]2)C1)[C@@H]1CCC[C@H](C(F)(F)F)N1	REAL300020146359	1	50	-1.0	-47.22	369.69	4.19	-43.03
O=C(C1=NC=C(Br)C=C1[O-])N1CCCC(C2=N[N-]N=N2)C1	REAL300020146360	0	32	-2.0	-91.51	290.93	3.64	-87.87
O=C(C1=NC=C(Br)C=C1[O-])N1CCCC(C2=NN=N[N-]2)C1	REAL300020146360	1	32	-2.0	-91.46	290.99	3.66	-87.80
O=C(C1=NC=C(Br)C=C1O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146360	1	33	-1.0	-39.79	297.02	2.13	-37.66
O=C(C1=NC=C(Br)C=C1O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146360	1	33	-1.0	-39.77	297.07	2.16	-37.61
O=C(CC1=NC(C2CCCC2)=CS1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146361	0	45	-1.0	-49.14	363.31	5.64	-43.50
O=C(CC1=NC(C2CCCC2)=CS1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146361	1	45	-1.0	-49.15	363.36	5.66	-43.49
CN1N=C(C2=CC=CN=C2)C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146362	0	42	-1.0	-44.91	342.55	4.00	-40.91
CN1N=C(C2=CC=CN=C2)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146362	1	42	-1.0	-44.91	342.49	3.97	-40.94
CN1N=C(C2=CC=NC=C2)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146363	0	42	-1.0	-45.40	342.13	3.98	-41.42
CN1N=C(C2=CC=NC=C2)C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146363	1	42	-1.0	-45.36	342.19	4.00	-41.36
CN1N=C2CCS(=O)(=O)CC2=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146364	0	43	-1.0	-53.53	358.55	0.73	-52.80
CN1N=C2CCS(=O)(=O)CC2=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146364	1	43	-1.0	-53.54	358.61	0.75	-52.79
CCN1N=C(C2CC2)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146365	0	43	-1.0	-43.82	340.54	5.13	-38.69
CCN1N=C(C2CC2)C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146365	1	43	-1.0	-43.85	340.60	5.16	-38.69
CC1=CN2N=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C2N=C1	REAL300020146366	0	38	-1.0	-55.02	315.20	4.06	-50.96
CC1=CN2N=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C2N=C1	REAL300020146366	1	38	-1.0	-54.98	315.14	4.03	-50.95
CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146367	0	59	-1.0	-45.75	434.47	6.34	-39.41
CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146367	1	59	-1.0	-45.76	434.53	6.37	-39.39
O=C(CC1CCC2(CCC2)O1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146368	0	44	-1.0	-51.59	339.42	4.96	-46.63
O=C(CC1CCC2(CCC2)O1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146368	1	44	-1.0	-51.55	339.47	4.99	-46.56
O=C(C1CCOC2(CCC2)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146369	0	44	-1.0	-46.83	332.06	4.39	-42.44
O=C(C1CCOC2(CCC2)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146369	1	44	-1.0	-46.84	332.12	4.42	-42.42
O=C(C=CC1=CC(Br)=CC=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146370	0	37	-1.0	-47.37	330.27	6.59	-40.78
O=C(C=CC1=CC(Br)=CC=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146370	1	37	-1.0	-47.37	330.33	6.62	-40.75
COC1=CC2=CC=C(C=CC(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C2C=C1	REAL300020146371	0	47	-1.0	-48.90	379.03	7.49	-41.41
COC1=CC2=CC=C(C=CC(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C2C=C1	REAL300020146371	1	47	-1.0	-48.93	379.09	7.51	-41.42
O=C(CC1=NC(C2CCCCC2)=CS1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146372	0	48	-1.0	-49.16	382.30	6.29	-42.87
O=C(CC1=NC(C2CCCCC2)=CS1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146372	1	48	-1.0	-49.11	382.36	6.31	-42.80
O=C(CC1=NN=C(C2CCOCC2)N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146373	0	46	-1.0	-59.36	363.00	3.40	-55.96
O=C(CC1=NN=C(C2CCOCC2)N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146373	1	46	-1.0	-59.35	363.06	3.42	-55.93
O=C(CCC1=CC=CC(OCC2=CC=CC=C2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146374	0	53	-1.0	-48.29	427.34	9.52	-38.77
O=C(CCC1=CC=CC(OCC2=CC=CC=C2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146374	1	53	-1.0	-48.27	427.39	9.55	-38.72
O=C(C1=NC2=CC=CC=C2C=C1C1CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146375	0	45	-1.0	-49.18	362.78	6.97	-42.21
O=C(C1=NC2=CC=CC=C2C=C1C1CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146375	1	45	-1.0	-49.20	362.72	6.95	-42.25
CN1N=C2CCCC2=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146376	0	40	-1.0	-44.61	321.62	4.17	-40.44
CN1N=C2CCCC2=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146376	1	40	-1.0	-44.58	321.68	4.19	-40.39
CC1=CC=C([N+](=O)[O-])C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1C	REAL300020146377	0	41	-1.0	-55.64	335.54	6.58	-49.06
CC1=CC=C([N+](=O)[O-])C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1C	REAL300020146377	1	41	-1.0	-55.64	335.60	6.61	-49.03
CN1C=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(Br)=N1	REAL300020146378	0	33	-1.0	-50.55	294.29	2.70	-47.85
CN1C=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(Br)=N1	REAL300020146378	1	33	-1.0	-50.54	294.23	2.68	-47.86
O=C(C1CC2(C1)CC(F)(F)C2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146379	0	40	-1.0	-46.67	322.52	5.71	-40.96
O=C(C1CC2(C1)CC(F)(F)C2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146379	1	40	-1.0	-46.66	322.58	5.74	-40.92
C[C@H](C(=O)N1CCCC(C2=N[N-]N=N2)C1)N1CC2=CC=CC=C2C1=O	REAL300020146380	0	44	-1.0	-63.05	350.15	6.50	-56.55
C[C@H](C(=O)N1CCCC(C2=NN=N[N-]2)C1)N1CC2=CC=CC=C2C1=O	REAL300020146380	1	44	-1.0	-63.07	350.21	6.53	-56.54
O=C(C1=COC2=C1C(=O)NCCC2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146381	0	41	-1.0	-60.87	329.37	1.85	-59.02
O=C(C1=COC2=C1C(=O)NCCC2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146381	1	41	-1.0	-60.85	329.43	1.88	-58.97
CC1=NC(=O)C2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C2N1	REAL300020146382	0	41	-1.0	-45.75	337.33	2.66	-43.09
CC1=NC(=O)C2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C2N1	REAL300020146382	1	41	-1.0	-45.73	337.39	2.69	-43.04
CC1=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)SC(CC(F)(F)F)=N1	REAL300020146383	0	41	-1.0	-49.00	361.46	5.09	-43.91
CC1=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)SC(CC(F)(F)F)=N1	REAL300020146383	1	41	-1.0	-48.97	361.52	5.12	-43.85
C[C@H](NC(=O)CCC(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020146384	0	49	-1.0	-45.73	393.20	5.46	-40.27
C[C@H](NC(=O)CCC(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020146384	1	49	-1.0	-45.70	393.25	5.48	-40.22
O=C(C1=CC2=C(Cl)C=NC=C2S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146385	0	35	-1.0	-36.57	317.69	4.51	-32.06
O=C(C1=CC2=C(Cl)C=NC=C2S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146385	1	35	-1.0	-36.52	317.64	4.49	-32.03
N#CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)NC2=CC=CC=C21	REAL300020146386	0	38	-1.0	-46.42	327.33	4.88	-41.54
N#CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)NC2=CC=CC=C21	REAL300020146386	1	38	-1.0	-46.43	327.39	4.91	-41.52
NC1=C(Cl)C=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1[N+](=O)[O-]	REAL300020146387	0	37	-1.0	-45.93	321.91	3.68	-42.25
NC1=C(Cl)C=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1[N+](=O)[O-]	REAL300020146387	1	37	-1.0	-45.94	321.97	3.70	-42.24
CNC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(Cl)=C1	REAL300020146388	0	38	-1.0	-39.57	319.99	3.73	-35.84
CNC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(Cl)=C1	REAL300020146388	1	38	-1.0	-39.59	320.04	3.75	-35.84
O=C(CC1=COC2=C(F)C(F)=CC=C12)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146389	0	39	-1.0	-52.09	335.28	5.92	-46.17
O=C(CC1=COC2=C(F)C(F)=CC=C12)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146389	1	39	-1.0	-52.11	335.34	5.95	-46.16
CCSC1=CC=CC=C1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146390	0	43	-1.0	-48.04	353.60	7.20	-40.84
CCSC1=CC=CC=C1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146390	1	43	-1.0	-48.01	353.66	7.23	-40.78
C=CCOC1=CC=C(C=CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1OC	REAL300020146391	0	49	-1.0	-49.97	396.85	6.65	-43.32
C=CCOC1=CC=C(C=CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020146391	1	49	-1.0	-49.98	396.90	6.68	-43.30
CCCCC1=C(C=CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C2=CC=CC=C2O1	REAL300020146392	0	52	-1.0	-40.01	420.01	9.58	-30.43
CCCCC1=C(C=CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C2=CC=CC=C2O1	REAL300020146392	1	52	-1.0	-40.04	420.07	9.61	-30.43
CC1=CC(C=CC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C(C)N1C1CCCCC1	REAL300020146393	0	57	-1.0	-48.27	423.46	9.60	-38.67
CC1=CC(C=CC(=O)N2CCCC(C3=NN=N[N-]3)C2)=C(C)N1C1CCCCC1	REAL300020146393	1	57	-1.0	-48.22	423.52	9.62	-38.60
O=C(C(O)C1=CC=CC(Br)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146394	0	37	-1.0	-47.99	318.51	3.74	-44.25
O=C(C(O)C1=CC=CC(Br)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146394	1	37	-1.0	-47.99	318.56	3.77	-44.22
CC1=NC(C)=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)S1	REAL300020146395	0	38	-1.0	-49.32	320.97	3.96	-45.36
CC1=NC(C)=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)S1	REAL300020146395	1	38	-1.0	-49.34	321.03	3.98	-45.36
O=C(COCC1=CC=CC=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146396	0	39	-1.0	-51.11	321.91	4.15	-46.96
O=C(COCC1=CC=CC=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146396	1	39	-1.0	-51.14	321.97	4.18	-46.96
CC1=CC=C(C=CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C(Br)=C1	REAL300020146397	0	40	-1.0	-49.15	343.14	7.10	-42.05
CC1=CC=C(C=CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C(Br)=C1	REAL300020146397	1	40	-1.0	-49.12	343.20	7.12	-42.00
CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146398	0	50	-1.0	-55.88	386.90	3.58	-52.30
CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146398	1	50	-1.0	-55.88	386.95	3.60	-52.28
O=C(C1=CC=C2OCCCOC2=C1[N+](=O)[O-])N1CCCC(C2=N[N-]N=N2)C1	REAL300020146399	0	44	-1.0	-44.17	363.67	5.32	-38.85
O=C(C1=CC=C2OCCCOC2=C1[N+](=O)[O-])N1CCCC(C2=NN=N[N-]2)C1	REAL300020146399	1	44	-1.0	-44.13	363.73	5.34	-38.79
COC1=CC=C(CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=N1	REAL300020146400	0	42	-1.0	-47.04	343.20	2.98	-44.06
COC1=CC=C(CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=N1	REAL300020146400	1	42	-1.0	-47.07	343.14	2.95	-44.12
CN1N=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1NC(=O)OC(C)(C)C	REAL300020146401	0	50	-1.0	-45.38	393.41	3.75	-41.63
CN1N=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1NC(=O)OC(C)(C)C	REAL300020146401	1	50	-1.0	-45.36	393.47	3.78	-41.58
CC(C)(C)OC(=O)NC(CC1CC1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146402	0	53	-1.0	-42.82	403.68	4.26	-38.56
CC(C)(C)OC(=O)NC(CC1CC1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146402	1	53	-1.0	-42.80	403.74	4.29	-38.51
O=C(CC1CCC2=C(C=CS2)C1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146403	0	42	-1.0	-58.48	345.29	7.30	-51.18
O=C(CC1CCC2=C(C=CS2)C1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146403	1	42	-1.0	-58.44	345.35	7.33	-51.11
CCN1C=C(Cl)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146404	0	37	-1.0	-43.93	310.96	5.28	-38.65
CCN1C=C(Cl)C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146404	1	37	-1.0	-43.94	311.02	5.30	-38.64
CC(C)(C)OC(=O)N1CC[C@@H]2C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)[C@@H]2C1	REAL300020146405	0	54	-1.0	-46.03	408.97	6.36	-39.67
CC(C)(C)OC(=O)N1CC[C@@H]2C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)[C@@H]2C1	REAL300020146405	1	54	-1.0	-46.02	409.02	6.38	-39.64
CC(C)(C)OC(=O)NC1CC(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020146406	0	53	-1.0	-53.61	408.52	4.30	-49.31
CC(C)(C)OC(=O)NC1CC(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020146406	1	53	-1.0	-53.67	408.58	4.32	-49.35
CC1C2=CNN=C2CCC1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146407	0	43	-1.0	-39.74	331.14	3.84	-35.90
CC1C2=CNN=C2CCC1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146407	1	43	-1.0	-39.71	331.19	3.87	-35.84
COC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCS(=O)(=O)C1	REAL300020146408	0	40	-1.0	-50.58	314.85	-0.59	-51.17
COC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCS(=O)(=O)C1	REAL300020146408	1	40	-1.0	-50.61	314.91	-0.57	-51.18
O=C(C1=CC=CN=C1C(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146409	0	35	-1.0	-51.80	294.22	3.48	-48.32
O=C(C1=CC=CN=C1C(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146409	1	35	-1.0	-51.78	294.28	3.50	-48.28
CC(C)(C)OC(=O)NC1=NC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)S1	REAL300020146410	0	46	-1.0	-41.10	379.03	3.38	-37.72
CC(C)(C)OC(=O)NC1=NC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)S1	REAL300020146410	1	46	-1.0	-41.14	379.08	3.41	-37.73
CC(C)(C)OC(=O)NOCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146411	0	44	-1.0	-56.70	353.62	2.97	-53.73
CC(C)(C)OC(=O)NOCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146411	1	44	-1.0	-56.72	353.68	2.99	-53.73
CN(CCCCC(=O)N1CCCC(C2=N[N-]N=N2)C1)C(=O)OC(C)(C)C	REAL300020146412	0	55	-1.0	-50.74	424.08	6.38	-44.36
CN(CCCCC(=O)N1CCCC(C2=NN=N[N-]2)C1)C(=O)OC(C)(C)C	REAL300020146412	1	55	-1.0	-50.76	424.14	6.40	-44.36
CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146413	0	53	-1.0	-43.57	417.13	4.02	-39.55
CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146413	1	53	-1.0	-43.57	417.19	4.04	-39.53
CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146414	0	51	-1.0	-53.57	383.94	3.74	-49.83
CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146414	1	51	-1.0	-53.47	384.00	3.77	-49.70
CCOC(=O)[C@@H]1CC[C@@H]1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146415	0	42	-1.0	-54.55	330.71	5.77	-48.78
CCOC(=O)[C@@H]1CC[C@@H]1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146415	1	42	-1.0	-54.53	330.77	5.79	-48.74
CC12CC3CC(C1)CC(C(=O)N1CCCC(C4=N[N-]N=N4)C1)(C3)C2	REAL300020146416	0	50	-1.0	-46.62	345.60	6.59	-40.03
CC12CC3CC(C1)CC(C(=O)N1CCCC(C4=NN=N[N-]4)C1)(C3)C2	REAL300020146416	1	50	-1.0	-46.66	345.65	6.61	-40.05
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C2CCCCC2)CC1	REAL300020146417	0	46	-1.0	-36.51	337.42	6.43	-30.08
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C2CCCCC2)CC1	REAL300020146417	1	46	-1.0	-36.48	337.48	6.45	-30.03
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C2=CC=C3OCCOC3=C2)CC1	REAL300020146418	0	46	-1.0	-52.05	363.36	5.46	-46.59
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C2=CC=C3OCCOC3=C2)CC1	REAL300020146418	1	46	-1.0	-52.03	363.42	5.48	-46.55
COC1=CC=CC(C(F)F)=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146419	0	40	-1.0	-56.27	326.40	4.66	-51.61
COC1=CC=CC(C(F)F)=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146419	1	40	-1.0	-56.26	326.45	4.68	-51.58
CC1=CC=C(F)C(Br)=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146420	0	36	-1.0	-46.91	319.51	5.71	-41.20
CC1=CC=C(F)C(Br)=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146420	1	36	-1.0	-46.91	319.57	5.73	-41.18
CC(C)(C)CN1C(=O)NC2=CC=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C21	REAL300020146421	0	52	-1.0	-49.69	378.15	6.01	-43.68
CC(C)(C)CN1C(=O)NC2=CC=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C21	REAL300020146421	1	52	-1.0	-49.69	378.21	6.04	-43.65
CN1C(=O)C[C@H](C(=O)N2CCCC(C3=N[N-]N=N3)C2)[C@H]1C1=CC=C(F)C=C1	REAL300020146422	0	47	-1.0	-50.48	375.28	6.05	-44.43
CN1C(=O)C[C@H](C(=O)N2CCCC(C3=NN=N[N-]3)C2)[C@H]1C1=CC=C(F)C=C1	REAL300020146422	1	47	-1.0	-50.46	375.33	6.07	-44.39
CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146423	0	50	-1.0	-56.15	381.80	4.97	-51.18
CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146423	1	50	-1.0	-56.15	381.85	5.00	-51.15
CCN1C=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C2=CC=CC=C2)=N1	REAL300020146424	0	46	-1.0	-51.46	374.12	6.56	-44.90
CCN1C=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C2=CC=CC=C2)=N1	REAL300020146424	1	46	-1.0	-51.46	374.06	6.53	-44.93
CC(C)(C)OC(=O)NCC1=CC=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146425	0	53	-1.0	-53.23	414.97	4.83	-48.40
CC(C)(C)OC(=O)NCC1=CC=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146425	1	53	-1.0	-53.24	415.03	4.85	-48.39
CC(C)(C)OC(=O)CN1C=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1=O	REAL300020146426	0	51	-1.0	-67.69	410.14	6.69	-61.00
CC(C)(C)OC(=O)CN1C=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1=O	REAL300020146426	1	51	-1.0	-67.73	410.19	6.72	-61.01
N#CC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC2CCC1CC2	REAL300020146427	0	44	-1.0	-42.73	322.10	5.24	-37.49
N#CC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC2CCC1CC2	REAL300020146427	1	44	-1.0	-42.75	322.16	5.27	-37.48
COC1=CC=CC2=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=NN21	REAL300020146428	0	40	-1.0	-51.72	327.98	3.00	-48.72
COC1=CC=CC2=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=NN21	REAL300020146428	1	40	-1.0	-51.74	327.93	2.97	-48.77
COC(=O)C1=CC(C)=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)O1	REAL300020146429	0	39	-1.0	-39.91	326.51	4.30	-35.61
COC(=O)C1=CC(C)=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)O1	REAL300020146429	1	39	-1.0	-39.90	326.56	4.32	-35.58
CC1=CC=C(C2=NOC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C2)C=C1	REAL300020146430	0	44	-1.0	-56.21	355.08	6.59	-49.62
CC1=CC=C(C2=NOC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C2)C=C1	REAL300020146430	1	44	-1.0	-56.25	355.14	6.62	-49.63
CC1=CC=C(C)C(C2=NOC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C2)=C1	REAL300020146431	0	47	-1.0	-55.42	372.19	7.49	-47.93
CC1=CC=C(C)C(C2=NOC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C2)=C1	REAL300020146431	1	47	-1.0	-55.45	372.25	7.51	-47.94
CC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC(C2=CC=CC(Cl)=C2F)=NO1	REAL300020146432	0	44	-1.0	-49.80	372.55	6.19	-43.61
CC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC(C2=CC=CC(Cl)=C2F)=NO1	REAL300020146432	1	44	-1.0	-49.78	372.61	6.22	-43.56
CC1CCC2=C(C1)C(C(=O)N1CCCC(C3=N[N-]N=N3)C1)=NN2	REAL300020146433	0	43	-1.0	-42.77	332.32	4.48	-38.29
CC1CCC2=C(C1)C(C(=O)N1CCCC(C3=NN=N[N-]3)C1)=NN2	REAL300020146433	1	43	-1.0	-42.79	332.38	4.50	-38.29
O=C(C1=CC=CN2N=CC(Br)=C12)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146434	0	36	-1.0	-51.05	320.81	4.88	-46.17
O=C(C1=CC=CN2N=CC(Br)=C12)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146434	1	36	-1.0	-51.08	320.76	4.85	-46.23
COC(=O)[C@H]1C2C=CC(CC2)[C@H]1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146435	0	47	-1.0	-50.57	347.64	6.85	-43.72
COC(=O)[C@H]1C2C=CC(CC2)[C@H]1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146435	1	47	-1.0	-50.56	347.70	6.87	-43.69
O=C(C1=CC=C(CN2C=C(Cl)C=N2)S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146436	0	40	-1.0	-47.77	361.52	5.74	-42.03
O=C(C1=CC=C(CN2C=C(Cl)C=N2)S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146436	1	40	-1.0	-47.80	361.46	5.72	-42.08
CCC1=NC(C)=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C)=N1	REAL300020146437	0	46	-1.0	-51.69	362.63	5.02	-46.67
CCC1=NC(C)=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C)=N1	REAL300020146437	1	46	-1.0	-51.73	362.68	5.04	-46.69
O=C(C1=NSC2=CC=CC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146438	0	35	-1.0	-42.95	297.63	4.99	-37.96
O=C(C1=NSC2=CC=CC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146438	1	35	-1.0	-42.98	297.57	4.96	-38.02
CC(C)(C)N1CCCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1=O	REAL300020146439	0	49	-1.0	-56.36	361.49	5.71	-50.65
CC(C)(C)N1CCCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1=O	REAL300020146439	1	49	-1.0	-56.32	361.55	5.74	-50.58
O=C(C1=CN=NN1C1=CC(Cl)=CC=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146440	0	39	-1.0	-44.27	350.60	5.29	-38.98
O=C(C1=CN=NN1C1=CC(Cl)=CC=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146440	1	39	-1.0	-44.25	350.54	5.27	-38.98
O=C(C[C@@H]1C[C@H]1C1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146441	0	43	-1.0	-48.80	343.06	7.58	-41.22
O=C(C[C@@H]1C[C@H]1C1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146441	1	43	-1.0	-48.81	343.12	7.60	-41.21
CC(=O)C1=CN=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020146442	0	37	-1.0	-47.55	306.18	3.04	-44.51
CC(=O)C1=CN=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020146442	1	37	-1.0	-47.55	306.24	3.07	-44.48
O=C(COCCC1=CC=C(Br)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146443	0	43	-1.0	-49.01	371.97	7.27	-41.74
O=C(COCCC1=CC=C(Br)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146443	1	43	-1.0	-49.02	372.03	7.29	-41.73
O=C(CCCC1=CC=C(C2CC2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146444	0	49	-1.0	-48.73	386.79	9.13	-39.60
O=C(CCCC1=CC=C(C2CC2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146444	1	49	-1.0	-48.69	386.85	9.16	-39.53
O=C(C1=CC2=C(CCOC2)NC1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146445	0	41	-1.0	-47.96	327.44	1.43	-46.53
O=C(C1=CC2=C(CCOC2)NC1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146445	1	41	-1.0	-47.95	327.50	1.46	-46.49
COC1=CC(OC)=NC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL300020146446	0	39	-1.0	-43.83	326.56	-0.46	-44.29
COC1=CC(OC)=NC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL300020146446	1	39	-1.0	-43.79	326.50	-0.48	-44.27
CC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCCS1(=O)=O	REAL300020146447	0	39	-1.0	-49.20	302.51	1.17	-48.03
CC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCCS1(=O)=O	REAL300020146447	1	39	-1.0	-49.18	302.56	1.20	-47.98
O=C(C1=NOC(CC2=CC=CC=C2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146448	0	42	-1.0	-44.19	349.05	6.91	-37.28
O=C(C1=NOC(CC2=CC=CC=C2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146448	1	42	-1.0	-44.18	349.11	6.94	-37.24
COC1=CC2=NC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C2C=C1	REAL300020146449	0	42	-1.0	-44.47	340.71	4.05	-40.42
COC1=CC2=NC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C2C=C1	REAL300020146449	1	42	-1.0	-44.48	340.66	4.03	-40.45
CC(C)C[C@H](C(=O)N1CCCC(C2=N[N-]N=N2)C1)N1CC2=CC=CC=C2C1=O	REAL300020146450	0	53	-1.0	-63.01	410.09	9.04	-53.97
CC(C)C[C@H](C(=O)N1CCCC(C2=NN=N[N-]2)C1)N1CC2=CC=CC=C2C1=O	REAL300020146450	1	53	-1.0	-63.00	410.14	9.07	-53.93
CC1=C(C2=CC=CC=C2)N(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C(=O)S1	REAL300020146451	0	46	-1.0	-52.67	379.71	6.72	-45.95
CC1=C(C2=CC=CC=C2)N(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C(=O)S1	REAL300020146451	1	46	-1.0	-52.69	379.77	6.74	-45.95
O=C(C1=NN2CCCC(=O)C2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146452	0	39	-1.0	-43.55	317.62	3.52	-40.03
O=C(C1=NN2CCCC(=O)C2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146452	1	39	-1.0	-43.53	317.67	3.55	-39.98
CC(=O)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1C	REAL300020146453	0	41	-1.0	-50.39	324.50	5.45	-44.94
CC(=O)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1C	REAL300020146453	1	41	-1.0	-50.39	324.56	5.48	-44.91
O=C(C1CC(C2=CC=CC=N2)=NO1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146454	0	40	-1.0	-54.35	329.11	4.14	-50.21
O=C(C1CC(C2=CC=CC=N2)=NO1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146454	1	40	-1.0	-54.34	329.05	4.12	-50.22
CC1=CC(Br)=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)S1	REAL300020146455	0	36	-1.0	-46.05	326.26	5.91	-40.14
CC1=CC(Br)=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)S1	REAL300020146455	1	36	-1.0	-46.05	326.31	5.93	-40.12
CCN1N=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1C1CC1	REAL300020146456	0	43	-1.0	-43.17	344.90	5.68	-37.49
CCN1N=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1C1CC1	REAL300020146456	1	43	-1.0	-43.23	344.96	5.71	-37.52
O=C(C1=CC(C2=CNC3=CC=CC=C23)=NN1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146457	0	44	-1.0	-47.07	362.37	4.86	-42.21
O=C(C1=CC(C2=CNC3=CC=CC=C23)=NN1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146457	1	44	-1.0	-47.08	362.42	4.88	-42.20
CC1=CC(OCC(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=C1Br	REAL300020146458	0	40	-1.0	-49.47	343.06	6.54	-42.93
CC1=CC(OCC(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=C1Br	REAL300020146458	1	40	-1.0	-49.49	343.12	6.57	-42.92
COC(=O)[C@@H]1CCCC[C@@H]1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146459	0	45	-1.0	-41.59	336.85	5.74	-35.85
COC(=O)[C@@H]1CCCC[C@@H]1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146459	1	45	-1.0	-41.56	336.90	5.76	-35.80
CC(CO)NS(=O)(=O)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020146460	0	48	-1.0	-50.70	396.89	-1.10	-51.80
CC(CO)NS(=O)(=O)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020146460	1	48	-1.0	-50.74	396.95	-1.08	-51.82
CC(O)CNS(=O)(=O)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020146461	0	48	-1.0	-50.09	400.37	-1.07	-51.16
CC(O)CNS(=O)(=O)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020146461	1	48	-1.0	-50.14	400.43	-1.05	-51.19
CC(C)(C)OC(=O)C1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCOCC1	REAL300020146462	0	52	-1.0	-41.82	378.40	4.56	-37.26
CC(C)(C)OC(=O)C1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCOCC1	REAL300020146462	1	52	-1.0	-41.85	378.46	4.58	-37.27
O=C(C1=CC=CC(NCC2=CN=CS2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146463	0	44	-1.0	-48.15	371.78	4.31	-43.84
O=C(C1=CC=CC(NCC2=CN=CS2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146463	1	44	-1.0	-48.13	371.73	4.28	-43.85
CCC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=C1Br	REAL300020146464	0	39	-1.0	-43.68	329.44	6.31	-37.37
CCC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=C1Br	REAL300020146464	1	39	-1.0	-43.66	329.50	6.34	-37.32
O=C(N1CCCC(C2=NN=N[N-]2)C1)C(F)(F)C1=NC=CC=C1Br	REAL300020146465	0	35	-1.0	-44.10	312.00	4.86	-39.24
O=C(N1CCCC(C2=N[N-]N=N2)C1)C(F)(F)C1=NC=CC=C1Br	REAL300020146465	1	35	-1.0	-44.10	311.94	4.83	-39.27
O=C(NC1=CC=CC(C(F)(F)F)=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146466	0	40	-1.0	-39.90	343.76	3.86	-36.04
O=C(NC1=CC=CC(C(F)(F)F)=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146466	1	40	-1.0	-39.86	343.82	3.88	-35.98
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C2=CC=CC(F)=C2)=NO1	REAL300020146467	0	42	-1.0	-47.33	358.71	6.54	-40.79
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C2=CC=CC(F)=C2)=NO1	REAL300020146467	1	42	-1.0	-47.32	358.65	6.51	-40.81
COC1=CC=CC(C(F)(F)C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020146468	0	40	-1.0	-43.76	331.40	4.70	-39.06
COC1=CC=CC(C(F)(F)C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020146468	1	40	-1.0	-43.79	331.46	4.73	-39.06
O=C(C1=CC=CN(CC(F)(F)F)C1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146469	0	39	-1.0	-64.44	337.40	4.66	-59.78
O=C(C1=CC=CN(CC(F)(F)F)C1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146469	1	39	-1.0	-64.43	337.46	4.69	-59.74
COC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=C(Br)S1	REAL300020146470	0	37	-1.0	-49.01	333.68	5.07	-43.94
COC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=C(Br)S1	REAL300020146470	1	37	-1.0	-49.02	333.74	5.09	-43.93
CC1=CC(C#N)=CC(C)=C1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146471	0	43	-1.0	-48.99	349.46	6.87	-42.12
CC1=CC(C#N)=CC(C)=C1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146471	1	43	-1.0	-48.96	349.52	6.90	-42.06
O=C(CCN1SC2=CC=CC=C2C1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146472	0	42	-1.0	-51.80	358.68	5.85	-45.95
O=C(CCN1SC2=CC=CC=C2C1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146472	1	42	-1.0	-51.80	358.74	5.87	-45.93
CC1=CC(C)=NC(NC2=CC=C(O)C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C2)=N1	REAL300020146473	0	50	-1.0	-48.79	403.72	6.30	-42.49
CC1=CC(C)=NC(NC2=CC=C(O)C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C2)=N1	REAL300020146473	1	50	-1.0	-48.77	403.78	6.33	-42.44
O=C(C(F)=CC1=CC=C(F)C(C(F)(F)F)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146474	0	40	-1.0	-37.14	350.06	6.94	-30.20
O=C(C(F)=CC1=CC=C(F)C(C(F)(F)F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146474	1	40	-1.0	-37.10	350.12	6.97	-30.13
NS(=O)(=O)C1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=CS1	REAL300020146475	0	35	-1.0	-61.64	312.78	-1.11	-62.75
NS(=O)(=O)C1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=CS1	REAL300020146475	1	35	-1.0	-61.62	312.84	-1.08	-62.70
O=C(CCC1=CC=C([N+](=O)[O-])C=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146476	0	41	-1.0	-47.68	358.00	7.32	-40.36
O=C(CCC1=CC=C([N+](=O)[O-])C=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146476	1	41	-1.0	-47.74	358.06	7.35	-40.39
CC1=NNC2=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=CC=C12	REAL300020146477	0	39	-1.0	-51.12	319.76	3.75	-47.37
CC1=NNC2=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=CC=C12	REAL300020146477	1	39	-1.0	-51.13	319.82	3.77	-47.36
CC1=CC=CN=C1OC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020146478	0	46	-1.0	-48.01	375.35	5.46	-42.55
CC1=CC=CN=C1OC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020146478	1	46	-1.0	-47.98	375.29	5.43	-42.55
O=C(C1CC2=CC(F)=CC=C2NC1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146479	0	41	-1.0	-50.57	336.46	3.64	-46.93
O=C(C1CC2=CC(F)=CC=C2NC1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146479	1	41	-1.0	-50.63	336.52	3.66	-46.97
O=C(C1CCOC2(CCCC2)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146480	0	47	-1.0	-46.98	345.53	4.87	-42.11
O=C(C1CCOC2(CCCC2)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146480	1	47	-1.0	-47.00	345.59	4.90	-42.10
CCS(=O)(=O)C1=CC=CC=C1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146481	0	45	-1.0	-61.08	363.83	4.38	-56.70
CCS(=O)(=O)C1=CC=CC=C1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146481	1	45	-1.0	-61.12	363.88	4.40	-56.72
C[N@H+](CC(=O)N1CCCC(C2=NN=N[N-]2)C1)[C@@H]1CCC[C@H]1O	REAL300020146482	0	46	0.0	-59.49	340.38	2.44	-57.05
C[N@@H+](CC(=O)N1CCCC(C2=NN=N[N-]2)C1)[C@@H]1CCC[C@H]1O	REAL300020146482	1	46	0.0	-62.74	341.31	2.38	-60.36
CN(CC(=O)N1CCCC(C2=NN=N[N-]2)C1)[C@@H]1CCC[C@H]1O	REAL300020146482	1	45	-1.0	-47.50	339.56	0.37	-47.13
CN1CCN(CC2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)S2)CC1	REAL300020146483	0	50	-1.0	-40.11	395.10	2.55	-37.56
CN1CCN(CC2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)S2)CC1	REAL300020146483	1	50	-1.0	-40.12	395.16	2.58	-37.54
C[NH+]1CCN(CC2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)S2)CC1	REAL300020146483	1	51	0.0	-73.53	398.05	4.94	-68.59
COC1=NSC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1Br	REAL300020146484	0	33	-1.0	-41.90	308.04	0.99	-40.91
COC1=NSC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1Br	REAL300020146484	1	33	-1.0	-41.92	307.98	0.96	-40.96
CC(C)(CO)C1=NC2=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CC=C2N1	REAL300020146485	0	49	-1.0	-42.20	387.87	2.51	-39.69
CC(C)(CO)C1=NC2=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=CC=C2N1	REAL300020146485	1	49	-1.0	-42.21	387.93	2.54	-39.67
O=C(CC1=NN=C(C2CC2)N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146486	0	39	-1.0	-60.11	320.34	4.22	-55.89
O=C(CC1=NN=C(C2CC2)N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146486	1	39	-1.0	-60.09	320.40	4.25	-55.84
O=C(CN1N=NC2=CC=CC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146487	0	38	-1.0	-55.60	318.09	3.51	-52.09
O=C(CN1N=NC2=CC=CC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146487	1	38	-1.0	-55.56	318.03	3.48	-52.08
CCN(CC(C)C)C1=NC(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)=CS1	REAL300020146488	0	52	-1.0	-50.37	415.68	7.29	-43.08
CCN(CC(C)C)C1=NC(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)=CS1	REAL300020146488	1	52	-1.0	-50.39	415.74	7.31	-43.08
CC1=CC=CC(C2=CC=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C2)=C1	REAL300020146489	0	46	-1.0	-48.45	366.16	8.52	-39.93
CC1=CC=CC(C2=CC=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C2)=C1	REAL300020146489	1	46	-1.0	-48.46	366.22	8.55	-39.91
CC(C)N1C=C(Br)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL300020146490	0	39	-1.0	-47.43	332.09	4.80	-42.63
CC(C)N1C=C(Br)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL300020146490	1	39	-1.0	-47.40	332.03	4.78	-42.62
CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC(C)=C1C#N	REAL300020146491	0	40	-1.0	-45.02	327.82	5.76	-39.26
CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC(C)=C1C#N	REAL300020146491	1	40	-1.0	-45.05	327.87	5.79	-39.26
CCCCCC(=O)NCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146492	0	45	-1.0	-44.08	358.15	3.25	-40.83
CCCCCC(=O)NCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146492	1	45	-1.0	-44.11	358.21	3.27	-40.84
CN1C=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(I)=N1	REAL300020146493	0	33	-1.0	-49.33	300.39	3.12	-46.21
CN1C=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(I)=N1	REAL300020146493	1	33	-1.0	-49.36	300.33	3.09	-46.27
CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020146494	0	56	-1.0	-52.40	423.98	4.98	-47.42
CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020146494	1	56	-1.0	-52.39	424.03	5.01	-47.38
CCNC1=NC(C)=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)S1	REAL300020146495	0	40	-1.0	-39.10	332.58	3.10	-36.00
CCNC1=NC(C)=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)S1	REAL300020146495	1	40	-1.0	-39.12	332.64	3.12	-36.00
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)SC(NC2CC2)=N1	REAL300020146496	0	41	-1.0	-38.97	343.74	4.00	-34.97
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)SC(NC2CC2)=N1	REAL300020146496	1	41	-1.0	-38.98	343.79	4.03	-34.95
C=CCNC1=NC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)S1	REAL300020146497	0	38	-1.0	-38.36	326.87	3.02	-35.34
C=CCNC1=NC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)S1	REAL300020146497	1	38	-1.0	-38.35	326.82	2.99	-35.36
COC1=C2C=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)NC2=CC=C1	REAL300020146498	0	41	-1.0	-48.18	330.44	4.19	-43.99
COC1=C2C=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)NC2=CC=C1	REAL300020146498	1	41	-1.0	-48.17	330.49	4.21	-43.96
CC1=CC(C)=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C)=N1	REAL300020146499	0	41	-1.0	-45.08	330.17	4.48	-40.60
CC1=CC(C)=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C)=N1	REAL300020146499	1	41	-1.0	-45.06	330.23	4.50	-40.56
CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146500	0	55	-1.0	-42.74	406.41	3.89	-38.85
CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146500	1	55	-1.0	-42.76	406.46	3.92	-38.84
CC1=CC=CC=C1C1=NOC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020146501	0	44	-1.0	-55.54	348.26	6.73	-48.81
CC1=CC=CC=C1C1=NOC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020146501	1	44	-1.0	-55.51	348.32	6.76	-48.75
O=C(CC1=CC(Br)=CC=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146502	0	36	-1.0	-46.14	329.92	6.49	-39.65
O=C(CC1=CC(Br)=CC=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146502	1	36	-1.0	-46.13	329.97	6.52	-39.61
CC1=CC(C)=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C(=O)N1	REAL300020146503	0	42	-1.0	-57.23	336.97	3.50	-53.73
CC1=CC(C)=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C(=O)N1	REAL300020146503	1	42	-1.0	-57.22	337.03	3.52	-53.70
CNC(=O)NC1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020146504	0	42	-1.0	-49.77	338.87	1.91	-47.86
CNC(=O)NC1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020146504	1	42	-1.0	-49.71	338.93	1.94	-47.77
CC(C)[C@H](C(=O)N1CCCC(C2=N[N-]N=N2)C1)N1CC2=CC=CC=C2C1=O	REAL300020146505	0	50	-1.0	-63.27	382.95	8.36	-54.91
CC(C)[C@H](C(=O)N1CCCC(C2=NN=N[N-]2)C1)N1CC2=CC=CC=C2C1=O	REAL300020146505	1	50	-1.0	-63.27	383.00	8.39	-54.88
NC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C(Cl)C(F)=C1[N+](=O)[O-]	REAL300020146506	0	37	-1.0	-41.16	334.43	3.92	-37.24
NC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C(Cl)C(F)=C1[N+](=O)[O-]	REAL300020146506	1	37	-1.0	-41.14	334.49	3.95	-37.19
CC1=CSC(CNC2=CC=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C2)=N1	REAL300020146507	0	47	-1.0	-47.75	392.96	4.76	-42.99
CC1=CSC(CNC2=CC=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C2)=N1	REAL300020146507	1	47	-1.0	-47.80	392.90	4.74	-43.06
CC(C)(NC1=CC=CC=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146508	0	44	-1.0	-48.35	332.40	4.87	-43.48
CC(C)(NC1=CC=CC=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146508	1	44	-1.0	-48.32	332.46	4.89	-43.43
CN1C=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C2CCCC2)=N1	REAL300020146509	0	46	-1.0	-49.41	359.45	5.38	-44.03
CN1C=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C2CCCC2)=N1	REAL300020146509	1	46	-1.0	-49.38	359.51	5.40	-43.98
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(CCCOCC2=CC=CC=C2)CC1	REAL300020146510	0	53	-1.0	-52.48	421.67	8.07	-44.41
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(CCCOCC2=CC=CC=C2)CC1	REAL300020146510	1	53	-1.0	-52.49	421.72	8.10	-44.39
CC(C)(C)OC(=O)N1CCC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300020146511	0	54	-1.0	-44.89	397.61	5.79	-39.10
CC(C)(C)OC(=O)N1CCC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020146511	1	54	-1.0	-44.91	397.67	5.81	-39.10
CC(C)(C)OC(=O)N1CCC2=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=CN=C21	REAL300020146512	0	53	-1.0	-47.78	414.75	6.74	-41.04
CC(C)(C)OC(=O)N1CCC2=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=CN=C21	REAL300020146512	1	53	-1.0	-47.76	414.70	6.72	-41.04
CC(C)(C)OC(=O)N1CCC2=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=CC=C21	REAL300020146513	0	54	-1.0	-46.25	417.45	7.26	-38.99
CC(C)(C)OC(=O)N1CCC2=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=CC=C21	REAL300020146513	1	54	-1.0	-46.23	417.51	7.29	-38.94
CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@@H](C(=O)N1CCCC(C3=N[N-]N=N3)C1)C2	REAL300020146514	0	54	-1.0	-44.40	402.88	6.03	-38.37
CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@@H](C(=O)N1CCCC(C3=NN=N[N-]3)C1)C2	REAL300020146514	1	54	-1.0	-44.37	402.94	6.05	-38.32
CC(C)(C)OC(=O)N1CCC[C@@H]2C[C@@]21C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146515	0	54	-1.0	-53.05	399.20	7.08	-45.97
CC(C)(C)OC(=O)N1CCC[C@@H]2C[C@@]21C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146515	1	54	-1.0	-53.03	399.26	7.10	-45.93
CCOC(=O)N1CSCC1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146516	0	42	-1.0	-51.82	347.38	3.55	-48.27
CCOC(=O)N1CSCC1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146516	1	42	-1.0	-51.78	347.43	3.58	-48.20
CN1N=CC(NC(=O)OC(C)(C)C)=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146517	0	50	-1.0	-42.84	397.72	2.48	-40.36
CN1N=CC(NC(=O)OC(C)(C)C)=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146517	1	50	-1.0	-42.79	397.78	2.51	-40.28
CC(C)CC(C)(CNC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146518	0	61	-1.0	-52.21	434.57	5.46	-46.75
CC(C)CC(C)(CNC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146518	1	61	-1.0	-52.18	434.63	5.48	-46.70
CC1CCC(C(=O)CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300020146519	0	50	-1.0	-43.72	375.23	6.98	-36.74
CC1CCC(C(=O)CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020146519	1	50	-1.0	-43.69	375.29	7.01	-36.68
O=C(C1=CC=C(N2CCCCCC2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146520	0	51	-1.0	-45.86	373.92	6.03	-39.83
O=C(C1=CC=C(N2CCCCCC2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146520	1	51	-1.0	-45.88	373.98	6.06	-39.82
CC(SC1=CC=C(F)C=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146521	0	40	-1.0	-46.04	339.95	6.55	-39.49
CC(SC1=CC=C(F)C=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146521	1	40	-1.0	-46.01	340.01	6.58	-39.43
O=C(C1=C(C(F)F)SC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146522	0	33	-1.0	-47.28	291.81	4.38	-42.90
O=C(C1=C(C(F)F)SC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146522	1	33	-1.0	-47.28	291.87	4.41	-42.87
O=C(C[C@@H]1C[C@H]1CC1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146523	0	46	-1.0	-46.81	368.33	8.47	-38.34
O=C(C[C@@H]1C[C@H]1CC1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146523	1	46	-1.0	-46.81	368.39	8.49	-38.32
O=C(C1=CC=C(CN2C=CN=N2)O1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146524	0	39	-1.0	-52.13	329.60	3.40	-48.73
O=C(C1=CC=C(CN2C=CN=N2)O1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146524	1	39	-1.0	-52.11	329.54	3.37	-48.74
O=C(C1=CN(C2=CC=CC=N2)N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146525	0	39	-1.0	-49.51	326.29	4.95	-44.56
O=C(C1=CN(C2=CC=CC=N2)N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146525	1	39	-1.0	-49.51	326.23	4.93	-44.58
CC1=CC=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1Cl	REAL300020146526	0	39	-1.0	-47.94	330.16	6.56	-41.38
CC1=CC=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020146526	1	39	-1.0	-47.92	330.22	6.58	-41.34
O=C(CC1=CC=C(O)C(O)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020146527	0	38	-1.0	-53.04	316.48	0.52	-52.52
O=C(CC1=CC=C(O)C(O)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146527	1	38	-1.0	-53.04	316.53	0.55	-52.49
CC(C)C[N@@H+]1CCCC1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146528	0	48	0.0	-63.63	341.71	6.30	-57.33
CC(C)C[N@H+]1CCCC1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020146528	1	48	0.0	-60.71	350.55	6.08	-54.63
O=C(C1CCC(C(F)(F)F)CC1C(F)(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148564	0	45	-1.0	-49.69	354.33	6.18	-43.51
O=C(C1CCC(C(F)(F)F)CC1C(F)(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148564	1	45	-1.0	-49.69	354.39	6.21	-43.48
O=C(C1=C(C2CCOCC2)ON=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148565	0	43	-1.0	-42.47	341.48	3.65	-38.82
O=C(C1=C(C2CCOCC2)ON=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148565	1	43	-1.0	-42.49	341.54	3.68	-38.81
C[NH+](C)CCOC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020148566	0	49	0.0	-75.79	377.75	6.10	-69.69
C[NH+](C)CCOC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020148566	1	49	0.0	-75.76	377.81	6.13	-69.63
CP(C)(=O)C1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020148567	0	42	-1.0	-55.03	350.00	4.00	-51.03
CP(C)(=O)C1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020148567	1	42	-1.0	-55.05	350.06	4.03	-51.02
CC(C)(C)C1CCC2=C(C=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C(=O)N2)C1	REAL300020148568	0	55	-1.0	-47.49	405.57	5.91	-41.58
CC(C)(C)C1CCC2=C(C=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C(=O)N2)C1	REAL300020148568	1	55	-1.0	-47.45	405.63	5.93	-41.52
O=C(CC1=C(F)C=CC(F)=C1Br)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148569	0	36	-1.0	-46.91	323.79	6.03	-40.88
O=C(CC1=C(F)C=CC(F)=C1Br)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148569	1	36	-1.0	-46.91	323.85	6.06	-40.85
O=C(C1=CC=CC(N=S2(=O)CCCC2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148570	0	47	-1.0	-61.59	374.57	4.21	-57.38
O=C(C1=CC=CC(N=S2(=O)CCCC2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148570	1	47	-1.0	-61.61	374.62	4.23	-57.38
CN1C=NC2=C1CCCC2C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148571	0	43	-1.0	-51.67	335.76	6.14	-45.53
CN1C=NC2=C1CCCC2C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148571	1	43	-1.0	-51.68	335.82	6.17	-45.51
CN=S(C)(=O)C1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020148572	0	43	-1.0	-62.36	356.22	1.70	-60.66
CN=S(C)(=O)C1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020148572	1	43	-1.0	-62.40	356.27	1.73	-60.67
CC(C)(C)OC(=O)NOCCCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148573	0	50	-1.0	-56.37	396.04	3.63	-52.74
CC(C)(C)OC(=O)NOCCCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148573	1	50	-1.0	-56.38	396.10	3.65	-52.73
O=C(C1=NOC(COC2=CC=CC=C2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148574	0	43	-1.0	-44.69	357.53	5.73	-38.96
O=C(C1=NOC(COC2=CC=CC=C2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148574	1	43	-1.0	-44.75	357.59	5.75	-39.00
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=NN1C(C)C(C)C	REAL300020148575	0	48	-1.0	-45.81	371.56	5.64	-40.17
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=NN1C(C)C(C)C	REAL300020148575	1	48	-1.0	-45.82	371.61	5.66	-40.16
CCCSC1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020148576	0	43	-1.0	-44.87	353.08	7.07	-37.80
CCCSC1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020148576	1	43	-1.0	-44.88	353.14	7.10	-37.78
COC1=CC=C2C(=C1)CCCC2C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148577	0	47	-1.0	-48.76	360.69	6.15	-42.61
COC1=CC=C2C(=C1)CCCC2C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148577	1	47	-1.0	-48.80	360.75	6.18	-42.62
COC1=CC=C(Cl)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL300020148578	0	36	-1.0	-44.97	312.18	2.67	-42.30
COC1=CC=C(Cl)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL300020148578	1	36	-1.0	-44.98	312.12	2.65	-42.33
O=C(C1=CC=C(C2=CC=CC(Cl)=C2)C=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148579	0	42	-1.0	-43.74	355.95	7.41	-36.33
O=C(C1=CC=C(C2=CC=CC(Cl)=C2)C=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148579	1	42	-1.0	-43.67	355.90	7.38	-36.29
CCCCSC1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020148580	0	46	-1.0	-44.90	374.58	7.86	-37.04
CCCCSC1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020148580	1	46	-1.0	-44.88	374.64	7.88	-37.00
CC1=NC=NC2=C1CC(C(=O)N1CCCC(C3=N[N-]N=N3)C1)CC2	REAL300020148581	0	44	-1.0	-46.66	340.85	5.49	-41.17
CC1=NC=NC2=C1CC(C(=O)N1CCCC(C3=NN=N[N-]3)C1)CC2	REAL300020148581	1	44	-1.0	-46.64	340.91	5.52	-41.12
O=C(C(O)C1=CC=C(Cl)C=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148582	0	37	-1.0	-42.52	323.36	3.44	-39.08
O=C(C(O)C1=CC=C(Cl)C=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148582	1	37	-1.0	-42.56	323.41	3.46	-39.10
CC(C)N(C)C(=O)CCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148583	0	45	-1.0	-45.43	350.07	4.25	-41.18
CC(C)N(C)C(=O)CCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148583	1	45	-1.0	-45.44	350.13	4.28	-41.16
CC1C(=O)N(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C(=O)C1C	REAL300020148584	0	42	-1.0	-53.13	341.62	3.61	-49.52
CC1C(=O)N(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C(=O)C1C	REAL300020148584	1	42	-1.0	-53.09	341.67	3.64	-49.45
O=C(C1=COC2=CC=C(Br)C=C12)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148585	0	36	-1.0	-39.16	320.56	5.57	-33.59
O=C(C1=COC2=CC=C(Br)C=C12)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148585	1	36	-1.0	-39.16	320.61	5.59	-33.57
C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148586	0	57	-1.0	-53.19	422.96	4.78	-48.41
C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148586	1	57	-1.0	-53.18	423.02	4.80	-48.38
O=C(C1CCC(OC(F)(F)F)CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148587	0	43	-1.0	-36.38	341.65	4.49	-31.89
O=C(C1CCC(OC(F)(F)F)CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148587	1	43	-1.0	-36.44	341.70	4.52	-31.92
O=C(CC1=CSC(Cl)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148588	0	33	-1.0	-47.01	301.73	5.01	-42.00
O=C(CC1=CSC(Cl)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148588	1	33	-1.0	-46.98	301.78	5.04	-41.94
CC(CC1=CC=C(Cl)C(Cl)=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148589	0	42	-1.0	-37.28	363.38	7.55	-29.73
CC(CC1=CC=C(Cl)C(Cl)=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148589	1	42	-1.0	-37.29	363.44	7.57	-29.72
O=C(C1=CC2=CC=C(Br)C=C2O1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148590	0	36	-1.0	-40.41	319.73	5.78	-34.63
O=C(C1=CC2=CC=C(Br)C=C2O1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148590	1	36	-1.0	-40.43	319.79	5.81	-34.62
CC(C)OC1=CC=C(F)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148591	0	43	-1.0	-41.47	345.49	5.94	-35.53
CC(C)OC1=CC=C(F)C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148591	1	43	-1.0	-41.45	345.55	5.96	-35.49
COC1=NC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C(F)F)=N1	REAL300020148592	0	38	-1.0	-44.25	322.35	-0.05	-44.30
COC1=NC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C(F)F)=N1	REAL300020148592	1	38	-1.0	-44.24	322.40	-0.02	-44.26
CC(CC(=O)N1CCCC(C2=N[N-]N=N2)C1)CC(F)(F)F	REAL300020148593	0	38	-1.0	-49.43	307.19	4.82	-44.61
CC(CC(=O)N1CCCC(C2=NN=N[N-]2)C1)CC(F)(F)F	REAL300020148593	1	38	-1.0	-49.41	307.24	4.85	-44.56
O=C(CC1CCC2(CCCC2)CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148594	0	52	-1.0	-46.53	372.47	7.88	-38.65
O=C(CC1CCC2(CCCC2)CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148594	1	52	-1.0	-46.49	372.52	7.90	-38.59
COC1=CC=C(N2CCCCC2)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020148595	0	52	-1.0	-48.47	396.50	5.68	-42.79
COC1=CC=C(N2CCCCC2)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020148595	1	52	-1.0	-48.45	396.55	5.71	-42.74
CC1COC2=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=CC=C21	REAL300020148596	0	41	-1.0	-51.77	328.78	4.98	-46.79
CC1COC2=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=CC=C21	REAL300020148596	1	41	-1.0	-51.77	328.84	5.00	-46.77
O=C(C1=CC=C(C2=CC=CC=N2)S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148597	0	39	-1.0	-46.68	335.49	5.49	-41.19
O=C(C1=CC=C(C2=CC=CC=N2)S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148597	1	39	-1.0	-46.70	335.43	5.46	-41.24
COC1CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CN(C(=O)OC(C)(C)C)C1	REAL300020148598	0	57	-1.0	-47.99	431.05	4.51	-43.48
COC1CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CN(C(=O)OC(C)(C)C)C1	REAL300020148598	1	57	-1.0	-48.01	431.10	4.54	-43.47
O=C(C1=CN=C2CCOCC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148599	0	40	-1.0	-39.17	318.63	2.69	-36.48
O=C(C1=CN=C2CCOCC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148599	1	40	-1.0	-39.19	318.69	2.71	-36.48
O=C(CC1COCC2=CC=CC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148600	0	44	-1.0	-47.91	340.04	5.33	-42.58
O=C(CC1COCC2=CC=CC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148600	1	44	-1.0	-47.98	340.10	5.35	-42.63
C#CC1=CC=C(OCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020148601	0	39	-1.0	-51.22	330.85	6.57	-44.65
C#CC1=CC=C(OCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020148601	1	39	-1.0	-51.22	330.91	6.59	-44.63
O=C(C1=CC=CC(C2=NC3=CC=CC=C3O2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148602	0	45	-1.0	-55.80	371.80	5.19	-50.61
O=C(C1=CC=CC(C2=NC3=CC=CC=C3O2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148602	1	45	-1.0	-55.81	371.74	5.17	-50.64
O=C(C#CC1=CC=C(Br)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148603	0	35	-1.0	-43.10	323.76	6.74	-36.36
O=C(C#CC1=CC=C(Br)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148603	1	35	-1.0	-43.12	323.81	6.76	-36.36
CC(C)(C)OC(=O)NCC1CC(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)CO1	REAL300020148604	0	57	-1.0	-52.53	436.57	3.10	-49.43
CC(C)(C)OC(=O)NCC1CC(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)CO1	REAL300020148604	1	57	-1.0	-52.52	436.63	3.12	-49.40
C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C(=O)N2CCCC(C3=N[N-]N=N3)C2)O1	REAL300020148605	0	54	-1.0	-47.06	404.57	5.21	-41.85
C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C(=O)N2CCCC(C3=NN=N[N-]3)C2)O1	REAL300020148605	1	54	-1.0	-47.06	404.63	5.23	-41.83
CC1=NN=C2CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)CN12	REAL300020148606	0	39	-1.0	-50.97	312.88	4.78	-46.19
CC1=NN=C2CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)CN12	REAL300020148606	1	39	-1.0	-50.97	312.94	4.80	-46.17
O=C(CC1CCCCCC1(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148607	0	45	-1.0	-43.00	332.61	6.14	-36.86
O=C(CC1CCCCCC1(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148607	1	45	-1.0	-42.99	332.66	6.17	-36.82
CC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=C(C2=CC=CC=C2Cl)C=C1	REAL300020148608	0	49	-1.0	-38.47	401.34	9.78	-28.69
CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=C(C2=CC=CC=C2Cl)C=C1	REAL300020148608	1	49	-1.0	-38.47	401.40	9.80	-28.67
COC(=O)C1=CC=C2NN=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C2=C1	REAL300020148609	0	42	-1.0	-45.28	350.53	4.30	-40.98
COC(=O)C1=CC=C2NN=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C2=C1	REAL300020148609	1	42	-1.0	-45.28	350.58	4.32	-40.96
CC1=NOC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)(C2=CC=CC=C2)C1	REAL300020148610	0	44	-1.0	-44.90	350.84	5.54	-39.36
CC1=NOC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)(C2=CC=CC=C2)C1	REAL300020148610	1	44	-1.0	-44.91	350.90	5.56	-39.35
CC(C)(C)OC(=O)C12CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)(C1)CO2	REAL300020148611	0	50	-1.0	-45.40	383.74	4.72	-40.68
CC(C)(C)OC(=O)C12CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)(C1)CO2	REAL300020148611	1	50	-1.0	-45.41	383.79	4.75	-40.66
COC(=O)CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)[NH+]1CCCCC1	REAL300020148612	0	51	0.0	-53.40	373.48	5.98	-47.42
COC(=O)CC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)N1CCCCC1	REAL300020148612	1	50	-1.0	-44.42	368.63	3.54	-40.88
COC(=O)CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)N1CCCCC1	REAL300020148612	1	50	-1.0	-44.39	368.69	3.56	-40.83
CCOC(=O)[C@H]1C[C@@](F)(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020148613	0	42	-1.0	-47.36	341.85	5.25	-42.11
CCOC(=O)[C@H]1C[C@@](F)(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020148613	1	42	-1.0	-47.34	341.91	5.27	-42.07
CCOC(=O)[C@H]1C[C@](F)(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020148614	0	42	-1.0	-42.72	340.64	5.23	-37.49
CCOC(=O)[C@H]1C[C@](F)(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020148614	1	42	-1.0	-42.67	340.69	5.26	-37.41
CC(C)(C)OC(=O)NCC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=NN1	REAL300020148615	0	50	-1.0	-48.21	398.40	1.81	-46.40
CC(C)(C)OC(=O)NCC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=NN1	REAL300020148615	1	50	-1.0	-48.15	398.45	1.84	-46.31
CC(C)(C)OC(=O)N1CCCCC1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148616	0	56	-1.0	-50.08	410.04	6.66	-43.42
CC(C)(C)OC(=O)N1CCCCC1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148616	1	56	-1.0	-50.10	410.10	6.68	-43.42
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](C(=O)N3CCCC(C4=N[N-]N=N4)C3)C[C@@H]2C1	REAL300020148617	0	57	-1.0	-51.88	424.78	6.41	-45.47
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](C(=O)N3CCCC(C4=NN=N[N-]4)C3)C[C@@H]2C1	REAL300020148617	1	57	-1.0	-51.86	424.84	6.44	-45.42
CC(C)(C)OC(=O)N1CC2(C)CC1(C(=O)N1CCCC(C3=N[N-]N=N3)C1)C2	REAL300020148618	0	54	-1.0	-51.36	403.39	6.10	-45.26
CC(C)(C)OC(=O)N1CC2(C)CC1(C(=O)N1CCCC(C3=NN=N[N-]3)C1)C2	REAL300020148618	1	54	-1.0	-51.38	403.45	6.12	-45.26
O=C(C1=CC=CC=C1)C1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020148619	0	45	-1.0	-48.10	365.42	7.64	-40.46
O=C(C1=CC=CC=C1)C1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020148619	1	45	-1.0	-48.12	365.48	7.67	-40.45
CC(C)(C)OC(=O)NC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=NS1	REAL300020148620	0	49	-1.0	-46.60	400.68	2.98	-43.62
CC(C)(C)OC(=O)NC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=NS1	REAL300020148620	1	49	-1.0	-46.65	400.74	3.01	-43.64
CC1CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCS1(=O)=O	REAL300020148621	0	42	-1.0	-55.06	335.51	1.59	-53.47
CC1CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCS1(=O)=O	REAL300020148621	1	42	-1.0	-55.02	335.57	1.62	-53.40
O=C([C@@H]1C[C@@H]2CCCCC[C@H]12)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148622	0	46	-1.0	-47.14	331.49	6.33	-40.81
O=C([C@@H]1C[C@@H]2CCCCC[C@H]12)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148622	1	46	-1.0	-47.15	331.54	6.36	-40.79
O=C([C@@H]1C[C@]12CCCC1=CC=CC=C12)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148623	0	47	-1.0	-45.97	357.55	8.29	-37.68
O=C([C@@H]1C[C@]12CCCC1=CC=CC=C12)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148623	1	47	-1.0	-45.99	357.61	8.31	-37.68
O=C(C1=CC=CC(N2CCCNS2(=O)=O)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148624	0	47	-1.0	-51.76	381.80	1.39	-50.37
O=C(C1=CC=CC(N2CCCNS2(=O)=O)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148624	1	47	-1.0	-51.81	381.86	1.42	-50.39
CC(C1CC1)N1CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1=O	REAL300020148625	0	47	-1.0	-46.67	358.07	5.08	-41.59
CC(C1CC1)N1CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1=O	REAL300020148625	1	47	-1.0	-46.64	358.13	5.10	-41.54
CC(C)(C)OC(=O)NOC(C)(C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148626	0	50	-1.0	-47.56	383.22	3.52	-44.04
CC(C)(C)OC(=O)NOC(C)(C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148626	1	50	-1.0	-47.54	383.27	3.54	-44.00
CCC1=CN2CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)CCC2=N1	REAL300020148627	0	46	-1.0	-39.18	356.89	6.04	-33.14
CCC1=CN2CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)CCC2=N1	REAL300020148627	1	46	-1.0	-39.15	356.95	6.07	-33.08
O=C(CCC12CCC(CC1)C2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148628	0	46	-1.0	-45.58	343.20	6.76	-38.82
O=C(CCC12CCC(CC1)C2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148628	1	46	-1.0	-45.60	343.26	6.78	-38.82
O=C(C1=CC=C(CC2=CC=CC=C2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148629	0	46	-1.0	-47.45	373.28	8.90	-38.55
O=C(C1=CC=C(CC2=CC=CC=C2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148629	1	46	-1.0	-47.48	373.34	8.93	-38.55
O=C(CC12CC(C1)C(=O)NC2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148630	0	41	-1.0	-52.45	317.28	1.96	-50.49
O=C(CC12CC(C1)C(=O)NC2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148630	1	41	-1.0	-52.43	317.33	1.99	-50.44
CC(C)(C)OC(=O)N1CC=C(C(C)(C)C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020148631	0	57	-1.0	-45.80	416.87	6.10	-39.70
CC(C)(C)OC(=O)N1CC=C(C(C)(C)C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020148631	1	57	-1.0	-45.78	416.93	6.12	-39.66
CCC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCCN(C(=O)OC(C)(C)C)C1	REAL300020148632	0	59	-1.0	-58.78	420.90	6.35	-52.43
CCC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCCN(C(=O)OC(C)(C)C)C1	REAL300020148632	1	59	-1.0	-58.76	420.95	6.37	-52.39
CC(C)(C)OC(=O)N1CCCC1C1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300020148633	0	57	-1.0	-43.75	419.76	7.04	-36.71
CC(C)(C)OC(=O)N1CCCC1C1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020148633	1	57	-1.0	-43.75	419.81	7.07	-36.68
CC(C)(C)OC(=O)N[C@@H]1COCC[C@@H]1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148634	0	54	-1.0	-50.13	408.02	2.67	-47.46
CC(C)(C)OC(=O)N[C@@H]1COCC[C@@H]1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148634	1	54	-1.0	-50.13	408.08	2.69	-47.44
O=C(C1=CN=CC(N2C=CN=C2)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148635	0	38	-1.0	-45.84	317.20	5.13	-40.71
O=C(C1=CN=CC(N2C=CN=C2)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148635	1	38	-1.0	-45.81	317.26	5.16	-40.65
CC1(C)CC2=CC=CC(CC(=O)N3CCCC(C4=N[N-]N=N4)C3)=C2O1	REAL300020148636	0	47	-1.0	-50.70	371.94	6.65	-44.05
CC1(C)CC2=CC=CC(CC(=O)N3CCCC(C4=NN=N[N-]4)C3)=C2O1	REAL300020148636	1	47	-1.0	-50.69	371.99	6.68	-44.01
O=C(CCCOC1=CC=CC([N+](=O)[O-])=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148637	0	45	-1.0	-56.88	374.28	6.52	-50.36
O=C(CCCOC1=CC=CC([N+](=O)[O-])=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148637	1	45	-1.0	-56.88	374.34	6.54	-50.34
CN1C=NC2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C2C1=O	REAL300020148638	0	41	-1.0	-49.80	336.24	5.12	-44.68
CN1C=NC2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C2C1=O	REAL300020148638	1	41	-1.0	-49.80	336.19	5.10	-44.70
CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148639	0	53	-1.0	-53.34	402.33	4.18	-49.16
CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148639	1	53	-1.0	-53.32	402.38	4.20	-49.12
CC(C)(C)OC(=O)N1CCC(C(C)(C)C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020148640	0	59	-1.0	-56.73	424.49	5.75	-50.98
CC(C)(C)OC(=O)N1CCC(C(C)(C)C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020148640	1	59	-1.0	-56.75	424.54	5.78	-50.97
CC(C)(C)OC(=O)NC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1CC=CCC1	REAL300020148641	0	57	-1.0	-42.72	418.16	4.91	-37.81
CC(C)(C)OC(=O)NC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1CC=CCC1	REAL300020148641	1	57	-1.0	-42.71	418.22	4.93	-37.78
CC(C)(C)OC(=O)NC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCSCC1	REAL300020148642	0	54	-1.0	-51.55	402.80	5.70	-45.85
CC(C)(C)OC(=O)NC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCSCC1	REAL300020148642	1	54	-1.0	-51.51	402.85	5.73	-45.78
CC(C)(C)OC(=O)N1C[C@@]2(C)C[C@@]2(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020148643	0	54	-1.0	-54.07	414.00	5.86	-48.21
CC(C)(C)OC(=O)N1C[C@@]2(C)C[C@@]2(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020148643	1	54	-1.0	-54.03	414.06	5.89	-48.14
CC(C)(C)OC(=O)NC12CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)(C1)OC2	REAL300020148644	0	52	-1.0	-41.14	400.17	2.00	-39.14
CC(C)(C)OC(=O)NC12CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)(C1)OC2	REAL300020148644	1	52	-1.0	-41.12	400.23	2.02	-39.10
CC(C)(C)OC(=O)N[C@@H](CC1=CNC=N1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148645	0	53	-1.0	-45.21	408.83	3.34	-41.87
CC(C)(C)OC(=O)N[C@@H](CC1=CNC=N1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148645	1	53	-1.0	-45.28	408.89	3.37	-41.91
CC(C)(C)OC(=O)NC1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1F	REAL300020148646	0	50	-1.0	-49.99	397.45	4.79	-45.20
CC(C)(C)OC(=O)NC1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1F	REAL300020148646	1	50	-1.0	-49.95	397.51	4.81	-45.14
CC(CNC(=O)OC(C)(C)C)C(F)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148647	0	52	-1.0	-40.58	402.98	3.57	-37.01
CC(CNC(=O)OC(C)(C)C)C(F)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148647	1	52	-1.0	-40.62	403.04	3.59	-37.03
CC(C)(C)OC(=O)N1CCC2(CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C2)C1	REAL300020148648	0	57	-1.0	-53.22	432.26	6.55	-46.67
CC(C)(C)OC(=O)N1CCC2(CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C2)C1	REAL300020148648	1	57	-1.0	-53.25	432.32	6.57	-46.68
CC(C)(C)OC(=O)N[C@@H](CF)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148649	0	46	-1.0	-44.03	360.87	2.23	-41.80
CC(C)(C)OC(=O)N[C@@H](CF)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148649	1	46	-1.0	-44.04	360.93	2.26	-41.78
O=C(C1=CC(Cl)=C(F)C(Cl)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148650	0	33	-1.0	-41.12	308.67	5.46	-35.66
O=C(C1=CC(Cl)=C(F)C(Cl)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148650	1	33	-1.0	-41.11	308.72	5.49	-35.62
C[C@@H]1C[C@H]1C(=O)NC1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020148651	0	47	-1.0	-60.10	376.56	5.52	-54.58
C[C@@H]1C[C@H]1C(=O)NC1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020148651	1	47	-1.0	-60.08	376.62	5.55	-54.53
O=C(C1=CN([C@@H]2COC[C@@H]2F)N=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148652	0	40	-1.0	-45.82	327.02	1.58	-44.24
O=C(C1=CN([C@@H]2COC[C@@H]2F)N=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148652	1	40	-1.0	-45.82	326.96	1.55	-44.27
CC1CCC(OCCCC(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300020148653	0	52	-1.0	-49.13	392.37	6.68	-42.45
CC1CCC(OCCCC(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020148653	1	52	-1.0	-49.13	392.43	6.71	-42.42
C[C@@H]1C[C@H]1C(=O)NC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020148654	0	47	-1.0	-53.65	376.50	5.54	-48.11
C[C@@H]1C[C@H]1C(=O)NC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020148654	1	47	-1.0	-53.67	376.56	5.57	-48.10
O=C(CC1CC2=CC=CC=C2NC1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148655	0	44	-1.0	-56.92	348.10	5.74	-51.18
O=C(CC1CC2=CC=CC=C2NC1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148655	1	44	-1.0	-56.94	348.15	5.77	-51.17
CC1(C)C(=O)NC2CCC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)CC21	REAL300020148656	0	50	-1.0	-49.68	371.93	3.07	-46.61
CC1(C)C(=O)NC2CCC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)CC21	REAL300020148656	1	50	-1.0	-49.72	371.99	3.10	-46.62
COC1(C2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=N2)CCOCC1	REAL300020148657	0	50	-1.0	-46.00	382.79	3.11	-42.89
COC1(C2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=N2)CCOCC1	REAL300020148657	1	50	-1.0	-45.97	382.73	3.09	-42.88
CC(C)(C)OC(=O)NCCC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=NO1	REAL300020148658	0	52	-1.0	-48.90	415.65	3.67	-45.23
CC(C)(C)OC(=O)NCCC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=NO1	REAL300020148658	1	52	-1.0	-48.88	415.71	3.69	-45.19
O=C(C1=CC=C2SN=CC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148659	0	35	-1.0	-45.21	302.24	4.63	-40.58
O=C(C1=CC=C2SN=CC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148659	1	35	-1.0	-45.21	302.19	4.61	-40.60
CN(CC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1)C1=CC=CC=C1	REAL300020148660	0	51	-1.0	-47.65	398.36	8.62	-39.03
CN(CC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1)C1=CC=CC=C1	REAL300020148660	1	51	-1.0	-47.63	398.42	8.64	-38.99
CN1C=NC2=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=CC=C2C1=O	REAL300020148661	0	41	-1.0	-50.73	336.24	5.12	-45.61
CN1C=NC2=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CC=C2C1=O	REAL300020148661	1	41	-1.0	-50.75	336.18	5.10	-45.65
CC1=NC2=CC(C(F)(F)F)=NN2C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020148662	0	41	-1.0	-50.94	359.31	4.93	-46.01
CC1=NC2=CC(C(F)(F)F)=NN2C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020148662	1	41	-1.0	-50.97	359.37	4.95	-46.02
COC1=CC([C@@H]2C[C@H]2C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C(OC)C=C1C	REAL300020148663	0	51	-1.0	-50.61	400.00	6.14	-44.47
COC1=CC([C@@H]2C[C@H]2C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C(OC)C=C1C	REAL300020148663	1	51	-1.0	-50.56	400.06	6.17	-44.39
O=C(CC1CCCCC1(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148664	0	42	-1.0	-43.05	324.03	5.80	-37.25
O=C(CC1CCCCC1(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148664	1	42	-1.0	-43.02	324.09	5.82	-37.20
CC(C)(C)OC(=O)N[C@@H]1[C@H](C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1(C)C	REAL300020148665	0	53	-1.0	-45.76	401.23	4.68	-41.08
CC(C)(C)OC(=O)N[C@@H]1[C@H](C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1(C)C	REAL300020148665	1	53	-1.0	-45.72	401.28	4.70	-41.02
CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](C(=O)N3CCCC(C4=N[N-]N=N4)C3)[C@@H]2C1	REAL300020148666	0	55	-1.0	-58.72	407.61	3.90	-54.82
CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](C(=O)N3CCCC(C4=NN=N[N-]4)C3)[C@@H]2C1	REAL300020148666	1	55	-1.0	-58.77	407.67	3.92	-54.85
CN1N=CC=C1C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020148667	0	43	-1.0	-48.64	343.56	5.36	-43.28
CN1N=CC=C1C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020148667	1	43	-1.0	-48.63	343.50	5.33	-43.30
O=C(N1CCCC(C2=N[N-]N=N2)C1)C12CCC(C1)S(=O)(=O)CC2	REAL300020148668	0	43	-1.0	-53.70	320.82	1.32	-52.38
O=C(N1CCCC(C2=NN=N[N-]2)C1)C12CCC(C1)S(=O)(=O)CC2	REAL300020148668	1	43	-1.0	-53.72	320.88	1.34	-52.38
O=C(C1CCCC2=NC=CC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148669	0	42	-1.0	-48.15	325.62	5.10	-43.05
O=C(C1CCCC2=NC=CC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148669	1	42	-1.0	-48.11	325.67	5.13	-42.98
CN1C=C(SCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=N1	REAL300020148670	0	37	-1.0	-49.84	318.43	3.80	-46.04
CN1C=C(SCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=N1	REAL300020148670	1	37	-1.0	-49.79	318.38	3.78	-46.01
CCSC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148671	0	53	-1.0	-42.93	416.58	4.07	-38.86
CCSC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148671	1	53	-1.0	-42.94	416.64	4.09	-38.85
O=C(CCC1=C(F)C=CC=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148672	0	39	-1.0	-47.34	335.45	6.69	-40.65
O=C(CCC1=C(F)C=CC=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148672	1	39	-1.0	-47.37	335.50	6.72	-40.65
CN1C=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C2=CC(Cl)=CC=C21	REAL300020148673	0	40	-1.0	-54.37	341.78	6.67	-47.70
CN1C=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C2=CC(Cl)=CC=C21	REAL300020148673	1	40	-1.0	-54.35	341.84	6.69	-47.66
O=C(CC1CC2(CCC2)CO1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148674	0	44	-1.0	-50.72	338.39	5.32	-45.40
O=C(CC1CC2(CCC2)CO1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148674	1	44	-1.0	-50.68	338.45	5.34	-45.34
O=C(C1=CC=C(CCF)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148675	0	39	-1.0	-46.53	319.98	6.02	-40.51
O=C(C1=CC=C(CCF)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148675	1	39	-1.0	-46.53	320.03	6.05	-40.48
O=C(C1CC2=CSC=C2C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148676	0	37	-1.0	-45.46	303.46	5.28	-40.18
O=C(C1CC2=CSC=C2C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148676	1	37	-1.0	-45.46	303.52	5.30	-40.16
CC1=CN2C=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=CC2=N1	REAL300020148677	0	39	-1.0	-45.21	322.68	5.72	-39.49
CC1=CN2C=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=CC2=N1	REAL300020148677	1	39	-1.0	-45.22	322.74	5.74	-39.48
[N-]=[N+]=NC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=C1[O-]	REAL300020148678	0	35	-2.0	-84.40	305.38	0.19	-84.21
[N-]=[N+]=NC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=C1[O-]	REAL300020148678	1	35	-2.0	-84.36	305.44	0.21	-84.15
[N-]=[N+]=N[C@H]1CC[C@@H](C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300020148679	0	41	-1.0	-51.40	322.69	1.71	-49.69
[N-]=[N+]=N[C@H]1CC[C@@H](C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020148679	1	41	-1.0	-51.40	322.75	1.74	-49.66
[N-]=[N+]=N[C@H]1CC[C@H](C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300020148680	0	41	-1.0	-35.37	324.02	1.39	-33.98
[N-]=[N+]=N[C@H]1CC[C@H](C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020148680	1	41	-1.0	-35.37	324.08	1.42	-33.95
[N-]=[N+]=N[C@@H]1C=CC[C@@H](C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020148681	0	39	-1.0	-42.56	316.25	1.46	-41.10
[N-]=[N+]=N[C@@H]1C=CC[C@@H](C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020148681	1	39	-1.0	-42.59	316.30	1.48	-41.11
O=C(C1=CC=C(N2CCNS2(=O)=O)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148682	0	44	-1.0	-54.37	362.97	0.54	-53.83
O=C(C1=CC=C(N2CCNS2(=O)=O)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148682	1	44	-1.0	-54.35	363.03	0.57	-53.78
[N-]=[N+]=NCC(F)(F)CCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148683	0	37	-1.0	-44.94	318.72	0.80	-44.14
[N-]=[N+]=NCC(F)(F)CCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148683	1	37	-1.0	-44.93	318.78	0.82	-44.11
[N-]=[N+]=NCC1=NN2CCCC2=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148684	0	42	-1.0	-49.02	353.04	0.43	-48.59
[N-]=[N+]=NCC1=NN2CCCC2=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148684	1	42	-1.0	-49.00	353.10	0.45	-48.55
CC1=NC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C2C=CNC2=N1	REAL300020148685	0	38	-1.0	-45.51	313.81	4.20	-41.31
CC1=NC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C2C=CNC2=N1	REAL300020148685	1	38	-1.0	-45.50	313.86	4.23	-41.27
[N-]=[N+]=NC1=CC=CC=C1CCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148686	0	41	-1.0	-46.63	342.47	4.03	-42.60
[N-]=[N+]=NC1=CC=CC=C1CCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148686	1	41	-1.0	-46.58	342.53	4.05	-42.53
CC(C)(C)OC(=O)N1CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)OC(C)(C)C1	REAL300020148687	0	57	-1.0	-46.73	424.42	5.79	-40.94
CC(C)(C)OC(=O)N1CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)OC(C)(C)C1	REAL300020148687	1	57	-1.0	-46.76	424.47	5.81	-40.95
CCC1=CC=CC(CC)=C1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148688	0	48	-1.0	-46.65	363.13	7.73	-38.92
CCC1=CC=CC(CC)=C1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148688	1	48	-1.0	-46.60	363.19	7.76	-38.84
CC1(C)CCCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300020148689	0	48	-1.0	-44.54	329.23	5.81	-38.73
CC1(C)CCCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020148689	1	48	-1.0	-44.51	329.29	5.84	-38.67
O=C(CC1=CC=CC(OCC2CC2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148690	0	47	-1.0	-49.39	377.73	7.26	-42.13
O=C(CC1=CC=CC(OCC2CC2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148690	1	47	-1.0	-49.35	377.79	7.28	-42.07
O=C(C1CC2(CC(OCC3=CC=CC=C3)C2)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148691	0	54	-1.0	-48.87	424.47	8.51	-40.36
O=C(C1CC2(CC(OCC3=CC=CC=C3)C2)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148691	1	54	-1.0	-48.88	424.52	8.54	-40.34
CC(C)[C@H]1CC[C@@H](C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300020148692	0	48	-1.0	-46.69	341.78	6.33	-40.36
CC(C)[C@H]1CC[C@@H](C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020148692	1	48	-1.0	-46.72	341.84	6.36	-40.36
CC(C)N1C=C(C2CC2C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=N1	REAL300020148693	0	46	-1.0	-47.85	366.76	5.99	-41.86
CC(C)N1C=C(C2CC2C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=N1	REAL300020148693	1	46	-1.0	-47.80	366.70	5.96	-41.84
O=C(C1=CC=C(OCC(F)F)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148694	0	40	-1.0	-50.79	334.80	5.00	-45.79
O=C(C1=CC=C(OCC(F)F)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148694	1	40	-1.0	-50.77	334.86	5.03	-45.74
CCN1N=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(Cl)=C1Br	REAL300020148695	0	36	-1.0	-38.68	329.94	4.65	-34.03
CCN1N=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(Cl)=C1Br	REAL300020148695	1	36	-1.0	-38.65	329.88	4.63	-34.02
NC(=O)C1=CC(F)=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020148696	0	37	-1.0	-51.46	311.50	1.29	-50.17
NC(=O)C1=CC(F)=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020148696	1	37	-1.0	-51.44	311.56	1.32	-50.12
CN1N=C(Br)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL300020148697	0	32	-1.0	-38.05	286.99	1.65	-36.40
CN1N=C(Br)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL300020148697	1	32	-1.0	-38.06	286.94	1.63	-36.43
O=C(C1=CN(C2=CC=CC(Cl)=C2)C(=O)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148698	0	43	-1.0	-48.60	375.31	7.21	-41.39
O=C(C1=CN(C2=CC=CC(Cl)=C2)C(=O)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148698	1	43	-1.0	-48.56	375.37	7.24	-41.32
CC(C)(C)OC(=O)N1CC2=C(C1)C(C(=O)N1CCCC(C3=N[N-]N=N3)C1)=CO2	REAL300020148699	0	51	-1.0	-53.06	403.28	4.99	-48.07
CC(C)(C)OC(=O)N1CC2=C(C1)C(C(=O)N1CCCC(C3=NN=N[N-]3)C1)=CO2	REAL300020148699	1	51	-1.0	-53.03	403.34	5.01	-48.02
CC(C)(C)OC(=O)NC1CCCC2C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C21	REAL300020148700	0	57	-1.0	-48.95	410.15	5.44	-43.51
CC(C)(C)OC(=O)NC1CCCC2C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C21	REAL300020148700	1	57	-1.0	-48.99	410.21	5.46	-43.53
O=C(C1=CC2=CC=CC=C2C([N+](=O)[O-])=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148701	0	41	-1.0	-44.98	339.70	7.20	-37.78
O=C(C1=CC2=CC=CC=C2C([N+](=O)[O-])=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148701	1	41	-1.0	-45.00	339.76	7.22	-37.78
O=C(C1CCOC2(CCCCC2)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148702	0	50	-1.0	-46.79	360.59	5.62	-41.17
O=C(C1CCOC2(CCCCC2)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148702	1	50	-1.0	-46.78	360.65	5.64	-41.14
O=C(CC(C1=CC=C(F)C(F)=C1)C1CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148703	0	46	-1.0	-52.20	373.24	8.22	-43.98
O=C(CC(C1=CC=C(F)C(F)=C1)C1CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148703	1	46	-1.0	-52.21	373.29	8.24	-43.97
CC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CC2=CC=CC=C21	REAL300020148704	0	45	-1.0	-48.44	349.01	7.83	-40.61
CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC2=CC=CC=C21	REAL300020148704	1	45	-1.0	-48.43	349.06	7.85	-40.58
COC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC(F)=C1F	REAL300020148705	0	37	-1.0	-42.39	312.56	3.89	-38.50
COC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC(F)=C1F	REAL300020148705	1	37	-1.0	-42.40	312.61	3.92	-38.48
COC1=CC2=CC=CN=C2C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020148706	0	42	-1.0	-53.87	341.82	4.33	-49.54
COC1=CC2=CC=CN=C2C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020148706	1	42	-1.0	-53.79	341.76	4.31	-49.48
O=C(C1=CC(C(F)(F)F)=NC=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148707	0	35	-1.0	-41.91	320.33	4.20	-37.71
O=C(C1=CC(C(F)(F)F)=NC=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148707	1	35	-1.0	-41.94	320.27	4.18	-37.76
O=C(CC1CCC(=O)NC1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148708	0	39	-1.0	-59.46	311.38	2.39	-57.07
O=C(CC1CCC(=O)NC1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148708	1	39	-1.0	-59.40	311.43	2.41	-56.99
CCN1N=C(Br)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL300020148709	0	35	-1.0	-37.91	308.80	2.49	-35.42
CCN1N=C(Br)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL300020148709	1	35	-1.0	-37.90	308.75	2.46	-35.44
CC(C)(C)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(Cl)=N1	REAL300020148710	0	44	-1.0	-38.70	359.67	5.69	-33.01
CC(C)(C)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(Cl)=N1	REAL300020148710	1	44	-1.0	-38.69	359.61	5.67	-33.02
CN1C(=O)NC2(CCC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)CC2)C1=O	REAL300020148711	0	48	-1.0	-40.91	366.74	2.29	-38.62
CN1C(=O)NC2(CCC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)CC2)C1=O	REAL300020148711	1	48	-1.0	-40.93	366.80	2.32	-38.61
O=C(C1=CC=CC(C2=NNC=C2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148712	0	40	-1.0	-55.33	329.42	4.47	-50.86
O=C(C1=CC=CC(C2=NNC=C2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148712	1	40	-1.0	-55.31	329.47	4.50	-50.81
CC1=C2NN=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C2=CC=C1	REAL300020148713	0	39	-1.0	-42.51	317.20	4.32	-38.19
CC1=C2NN=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C2=CC=C1	REAL300020148713	1	39	-1.0	-42.47	317.26	4.34	-38.13
CC1=C2NN=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C2=CC(Br)=C1	REAL300020148714	0	39	-1.0	-47.38	338.77	4.95	-42.43
CC1=C2NN=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C2=CC(Br)=C1	REAL300020148714	1	39	-1.0	-47.36	338.82	4.98	-42.38
CC1=CC(Br)=CC2=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)NN=C21	REAL300020148714	1	39	-1.0	-44.73	339.49	4.71	-40.02
O=C(C1CCC2(CCOCC2)O1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148715	0	45	-1.0	-51.00	339.50	3.75	-47.25
O=C(C1CCC2(CCOCC2)O1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148715	1	45	-1.0	-51.02	339.56	3.78	-47.24
CC1=CC=CC=C1C1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=NO1	REAL300020148716	0	42	-1.0	-42.79	345.88	6.69	-36.10
CC1=CC=CC=C1C1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=NO1	REAL300020148716	1	42	-1.0	-42.78	345.83	6.66	-36.12
CC(F)(F)C1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL300020148717	0	38	-1.0	-43.81	316.39	5.14	-38.67
CC(F)(F)C1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL300020148717	1	38	-1.0	-43.83	316.33	5.12	-38.71
CC(C)(C)OC(=O)N1[C@H]2C[C@H](C[C@@H]2O)[C@H]1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148718	0	55	-1.0	-55.29	416.83	2.95	-52.34
CC(C)(C)OC(=O)N1[C@H]2C[C@H](C[C@@H]2O)[C@H]1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148718	1	55	-1.0	-55.21	416.89	2.98	-52.23
CC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1Cl	REAL300020148719	0	39	-1.0	-37.99	322.04	6.24	-31.75
CC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1Cl	REAL300020148719	1	39	-1.0	-38.00	322.10	6.26	-31.74
O=C(C1=CC=CC(CC2=CC=CC=N2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148720	0	45	-1.0	-52.95	367.10	7.08	-45.87
O=C(C1=CC=CC(CC2=CC=CC=N2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148720	1	45	-1.0	-52.89	367.16	7.10	-45.79
O=C(C1=COC2=C(F)C=C(Cl)C=C12)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148721	0	36	-1.0	-46.30	322.41	5.54	-40.76
O=C(C1=COC2=C(F)C=C(Cl)C=C12)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148721	1	36	-1.0	-46.32	322.47	5.57	-40.75
O=C(C1CCC2(CC1)NC(=O)NC2=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148722	0	45	-1.0	-50.36	350.48	0.27	-50.09
O=C(C1CCC2(CC1)NC(=O)NC2=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148722	1	45	-1.0	-50.37	350.54	0.29	-50.08
O=C(C1=C(I)C=CS1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148723	0	30	-1.0	-36.47	285.51	4.54	-31.93
O=C(C1=C(I)C=CS1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148723	1	30	-1.0	-36.47	285.57	4.56	-31.91
CCCN1C=C(Cl)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL300020148724	0	39	-1.0	-43.00	330.46	4.93	-38.07
CCCN1C=C(Cl)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL300020148724	1	39	-1.0	-43.02	330.40	4.91	-38.11
CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C(Cl)N=C1C	REAL300020148725	0	38	-1.0	-48.83	319.00	4.23	-44.60
CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C(Cl)N=C1C	REAL300020148725	1	38	-1.0	-48.85	319.05	4.25	-44.60
COC(=O)C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1C(F)(F)F	REAL300020148726	0	42	-1.0	-49.21	355.35	5.87	-43.34
COC(=O)C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1C(F)(F)F	REAL300020148726	1	42	-1.0	-49.24	355.40	5.90	-43.34
COC(=O)C1CCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020148727	0	42	-1.0	-46.22	331.13	4.87	-41.35
COC(=O)C1CCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020148727	1	42	-1.0	-46.23	331.19	4.90	-41.33
COC(=O)C1=NNC2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C21	REAL300020148728	0	42	-1.0	-55.80	350.60	3.72	-52.08
COC(=O)C1=NNC2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C21	REAL300020148728	1	42	-1.0	-55.79	350.66	3.75	-52.04
CC(C)(C)C1CCNC2=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=NN21	REAL300020148729	0	51	-1.0	-47.63	379.83	4.66	-42.97
CC(C)(C)C1CCNC2=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=NN21	REAL300020148729	1	51	-1.0	-47.67	379.77	4.63	-43.04
CNC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)SC2=NC=CN=C21	REAL300020148730	0	39	-1.0	-43.97	338.09	0.90	-43.07
CNC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)SC2=NC=CN=C21	REAL300020148730	1	39	-1.0	-43.96	338.03	0.87	-43.09
CC1=NN=C2SC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C(N)C2=C1C	REAL300020148731	0	42	-1.0	-46.82	341.74	2.25	-44.57
CC1=NN=C2SC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C(N)C2=C1C	REAL300020148731	1	42	-1.0	-46.82	341.80	2.28	-44.54
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C2=CC=C(C)C=C2)=NO1	REAL300020148732	0	45	-1.0	-44.87	372.76	7.18	-37.69
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C2=CC=C(C)C=C2)=NO1	REAL300020148732	1	45	-1.0	-44.86	372.70	7.15	-37.71
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C2=NC=CC=C2F)CC1	REAL300020148733	0	39	-1.0	-49.39	320.66	4.80	-44.59
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C2=NC=CC=C2F)CC1	REAL300020148733	1	39	-1.0	-49.38	320.60	4.77	-44.61
NC(=O)C1=CC=C(F)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020148734	0	37	-1.0	-47.84	312.28	1.36	-46.48
NC(=O)C1=CC=C(F)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020148734	1	37	-1.0	-47.86	312.34	1.39	-46.47
O=C(C(C1=CC=C(F)C=C1)C1CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148735	0	43	-1.0	-47.01	347.51	7.29	-39.72
O=C(C(C1=CC=C(F)C=C1)C1CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148735	1	43	-1.0	-47.03	347.57	7.31	-39.72
CC(C)(C)OC(=O)N1CC(N=[N+]=[N-])(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020148736	0	49	-1.0	-46.92	391.41	0.85	-46.07
CC(C)(C)OC(=O)N1CC(N=[N+]=[N-])(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020148736	1	49	-1.0	-46.93	391.47	0.88	-46.05
[N-]=[N+]=NC12CCC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)(CC1)C2	REAL300020148737	0	42	-1.0	-46.39	324.30	1.55	-44.84
[N-]=[N+]=NC12CCC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)(CC1)C2	REAL300020148737	1	42	-1.0	-46.41	324.35	1.58	-44.83
CC(C)(C)OC(=O)N1CCC(N=[N+]=[N-])(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020148738	0	52	-1.0	-47.20	399.55	1.37	-45.83
CC(C)(C)OC(=O)N1CCC(N=[N+]=[N-])(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020148738	1	52	-1.0	-47.22	399.61	1.39	-45.83
O=C(C1=NOC(C2=CC=C3OCOC3=C2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148739	0	42	-1.0	-44.39	351.75	4.73	-39.66
O=C(C1=NOC(C2=CC=C3OCOC3=C2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148739	1	42	-1.0	-44.38	351.69	4.70	-39.68
O=C(C1=CC(C2CCC2)=NO1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148740	0	39	-1.0	-40.28	313.52	4.60	-35.68
O=C(C1=CC(C2CCC2)=NO1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148740	1	39	-1.0	-40.27	313.57	4.62	-35.65
CC1=CC(C(F)(F)C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CS1	REAL300020148741	0	36	-1.0	-38.98	314.72	5.19	-33.79
CC1=CC(C(F)(F)C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CS1	REAL300020148741	1	36	-1.0	-38.97	314.77	5.21	-33.76
CC(C)(C)OC(=O)N1C[C@@H](N=[N+]=[N-])C[C@H]1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148742	0	52	-1.0	-55.50	411.64	1.61	-53.89
CC(C)(C)OC(=O)N1C[C@@H](N=[N+]=[N-])C[C@H]1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148742	1	52	-1.0	-55.49	411.70	1.63	-53.86
CC(C)(C)OC(=O)N1C[C@H](N=[N+]=[N-])C[C@H]1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148743	0	52	-1.0	-54.24	411.16	1.61	-52.63
CC(C)(C)OC(=O)N1C[C@H](N=[N+]=[N-])C[C@H]1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148743	1	52	-1.0	-54.21	411.22	1.63	-52.58
[N-]=[N+]=NCC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)O1	REAL300020148744	0	35	-1.0	-44.78	303.45	0.24	-44.54
[N-]=[N+]=NCC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)O1	REAL300020148744	1	35	-1.0	-44.79	303.51	0.26	-44.53
CC1=NN(CC(F)(F)F)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020148745	0	39	-1.0	-45.47	328.40	3.99	-41.48
CC1=NN(CC(F)(F)F)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020148745	1	39	-1.0	-45.51	328.45	4.01	-41.50
[N-]=[N+]=NCCCCCCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148746	0	43	-1.0	-47.13	350.79	2.22	-44.91
[N-]=[N+]=NCCCCCCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148746	1	43	-1.0	-47.11	350.84	2.24	-44.87
[N-]=[N+]=NCC1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020148747	0	38	-1.0	-48.64	321.47	1.70	-46.94
[N-]=[N+]=NCC1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020148747	1	38	-1.0	-48.68	321.53	1.73	-46.95
[N-]=[N+]=NCCCCCCCCCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148748	0	52	-1.0	-47.95	415.28	4.56	-43.39
[N-]=[N+]=NCCCCCCCCCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148748	1	52	-1.0	-47.96	415.34	4.59	-43.37
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C(Cl)N=C1Cl	REAL300020148749	0	35	-1.0	-40.35	316.56	4.13	-36.22
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C(Cl)N=C1Cl	REAL300020148749	1	35	-1.0	-40.34	316.50	4.10	-36.24
CC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(N=[N+]=[N-])=C1	REAL300020148750	0	38	-1.0	-38.20	319.67	2.94	-35.26
CC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(N=[N+]=[N-])=C1	REAL300020148750	1	38	-1.0	-38.23	319.73	2.96	-35.27
CC1=C(C)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C(N2C=NN=N2)S1	REAL300020148751	0	41	-1.0	-58.29	353.64	5.29	-53.00
CC1=C(C)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C(N2C=NN=N2)S1	REAL300020148751	1	41	-1.0	-58.30	353.59	5.27	-53.03
CC12CC3(C)CC(F)(C1)CC(C(=O)N1CCCC(C4=N[N-]N=N4)C1)(C2)C3	REAL300020148752	0	53	-1.0	-44.98	371.89	7.09	-37.89
CC12CC3(C)CC(F)(C1)CC(C(=O)N1CCCC(C4=NN=N[N-]4)C1)(C2)C3	REAL300020148752	1	53	-1.0	-45.02	371.95	7.11	-37.91
CN1C=C(C(F)(F)C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=N1	REAL300020148753	0	36	-1.0	-44.45	306.46	3.25	-41.20
CN1C=C(C(F)(F)C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=N1	REAL300020148753	1	36	-1.0	-44.43	306.40	3.22	-41.21
CC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCCCNC1=O	REAL300020148754	0	43	-1.0	-38.65	305.44	2.15	-36.50
CC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCCCNC1=O	REAL300020148754	1	43	-1.0	-38.65	305.49	2.18	-36.47
COC1=NC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C(F)(F)F)=N1	REAL300020148755	0	38	-1.0	-46.15	327.35	0.18	-45.97
COC1=NC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C(F)(F)F)=N1	REAL300020148755	1	38	-1.0	-46.18	327.29	0.15	-46.03
O=C(C1=C([N+](=O)[O-])C=NN1CC(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148756	0	38	-1.0	-46.92	339.57	4.09	-42.83
O=C(C1=C([N+](=O)[O-])C=NN1CC(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148756	1	38	-1.0	-46.98	339.52	4.06	-42.92
O=C(C1=CC=C(CN2CCOCC2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148757	0	49	-1.0	-47.20	377.60	3.47	-43.73
O=C(C1=CC=C(CN2CCOCC2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148757	1	49	-1.0	-47.22	377.66	3.50	-43.72
O=C(CC1CC[NH+](CC2=CC=CC=C2)CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148758	0	55	0.0	-70.09	409.99	9.13	-60.96
O=C(CC1CC[NH+](CC2=CC=CC=C2)CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148758	1	55	0.0	-70.12	410.05	9.15	-60.97
CC1CN(CC2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C2)CCO1	REAL300020148759	0	52	-1.0	-46.57	399.04	4.05	-42.52
CC1CN(CC2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C2)CCO1	REAL300020148759	1	52	-1.0	-46.54	399.10	4.08	-42.46
CC1C[N@H+](CC2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C2)CCO1	REAL300020148759	1	53	0.0	-80.27	395.11	6.51	-73.76
CC1C[N@@H+](CC2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C2)CCO1	REAL300020148759	1	53	0.0	-79.92	396.30	6.54	-73.38
CCNC(=O)N1CCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300020148760	0	48	-1.0	-55.13	366.79	3.47	-51.66
CCNC(=O)N1CCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020148760	1	48	-1.0	-55.13	366.85	3.49	-51.64
COC1=CC([C@@H](C)CC(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=C1C	REAL300020148761	0	49	-1.0	-46.60	379.08	6.72	-39.88
COC1=CC([C@@H](C)CC(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=C1C	REAL300020148761	1	49	-1.0	-46.58	379.13	6.75	-39.83
C#CC1=CC=CC(OCC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020148762	0	39	-1.0	-53.59	330.87	6.56	-47.03
C#CC1=CC=CC(OCC(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020148762	1	39	-1.0	-53.55	330.93	6.58	-46.97
O=C(C=CC1=CC=C2CCOCC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148763	0	45	-1.0	-39.14	357.24	6.01	-33.13
O=C(C=CC1=CC=C2CCOCC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148763	1	45	-1.0	-39.17	357.29	6.03	-33.14
O=C(C1CCCC2(CCC2)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148764	0	46	-1.0	-45.37	339.64	6.52	-38.85
O=C(C1CCCC2(CCC2)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148764	1	46	-1.0	-45.40	339.70	6.55	-38.85
CC(C)CN1N=CC=C1[C@@H]1C[C@H]1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148765	0	49	-1.0	-47.50	386.98	6.84	-40.66
CC(C)CN1N=CC=C1[C@@H]1C[C@H]1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148765	1	49	-1.0	-47.49	387.04	6.86	-40.63
CC(C)CN1C=C([C@@H]2C[C@H]2C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=N1	REAL300020148766	0	49	-1.0	-47.69	389.43	7.00	-40.69
CC(C)CN1C=C([C@@H]2C[C@H]2C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=N1	REAL300020148766	1	49	-1.0	-47.73	389.37	6.98	-40.75
O=C([C@@H]1C[C@H]1C1=CN(C2=CC=CC=C2)N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148767	0	47	-1.0	-49.62	382.54	8.00	-41.62
O=C([C@@H]1C[C@H]1C1=CN(C2=CC=CC=C2)N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148767	1	47	-1.0	-49.61	382.49	7.98	-41.63
CC(C)(C(=O)N1CCCC(C2=N[N-]N=N2)C1)N1C=CC(C2CC2)=N1	REAL300020148768	0	46	-1.0	-57.12	351.89	5.57	-51.55
CC(C)(C(=O)N1CCCC(C2=NN=N[N-]2)C1)N1C=CC(C2CC2)=N1	REAL300020148768	1	46	-1.0	-57.11	351.95	5.60	-51.51
O=C(C1CC2CCCCCCC21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148769	0	49	-1.0	-48.37	343.55	6.85	-41.52
O=C(C1CC2CCCCCCC21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148769	1	49	-1.0	-48.38	343.61	6.87	-41.51
CC(C)(C)OC(=O)N1CCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1(C)C	REAL300020148770	0	56	-1.0	-48.47	409.58	5.61	-42.86
CC(C)(C)OC(=O)N1CCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1(C)C	REAL300020148770	1	56	-1.0	-48.47	409.63	5.63	-42.84
O=C(C1=NN2CC3(CC3)CC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148771	0	41	-1.0	-44.53	328.55	4.99	-39.54
O=C(C1=NN2CC3(CC3)CC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148771	1	41	-1.0	-44.55	328.61	5.01	-39.54
COC12CCC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)(CC1)C2	REAL300020148772	0	44	-1.0	-47.86	326.60	3.73	-44.13
COC12CCC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)(CC1)C2	REAL300020148772	1	44	-1.0	-47.86	326.66	3.76	-44.10
CC(C)(C)OC(=O)N1CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)OCC1(C)C	REAL300020148773	0	57	-1.0	-39.63	420.91	5.40	-34.23
CC(C)(C)OC(=O)N1CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)OCC1(C)C	REAL300020148773	1	57	-1.0	-39.65	420.96	5.42	-34.23
CC(C)(C)OC(=O)C1CC12CCC(C(=O)N1CCCC(C3=N[N-]N=N3)C1)C2	REAL300020148774	0	55	-1.0	-46.73	417.94	8.30	-38.43
CC(C)(C)OC(=O)C1CC12CCC(C(=O)N1CCCC(C3=NN=N[N-]3)C1)C2	REAL300020148774	1	55	-1.0	-46.67	418.00	8.33	-38.34
O=C(CCC(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=C(Br)S1	REAL300020148775	0	38	-1.0	-43.98	348.83	5.91	-38.07
O=C(CCC(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=C(Br)S1	REAL300020148775	1	38	-1.0	-43.95	348.89	5.93	-38.02
O=C(CC1=CC=C2OC=NC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148776	0	38	-1.0	-53.90	316.40	2.34	-51.56
O=C(CC1=CC=C2OC=NC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148776	1	38	-1.0	-53.90	316.46	2.36	-51.54
CC1=NC2=C(C#N)C=NN2C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148777	0	39	-1.0	-45.38	336.62	4.46	-40.92
CC1=NC2=C(C#N)C=NN2C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148777	1	39	-1.0	-45.42	336.67	4.48	-40.94
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N2C=CC=CC2=N1	REAL300020148778	0	39	-1.0	-47.18	322.68	5.50	-41.68
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N2C=CC=CC2=N1	REAL300020148778	1	39	-1.0	-47.15	322.73	5.53	-41.62
CC(C)CC1=NC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL300020148779	0	43	-1.0	-40.37	342.23	5.20	-35.17
CC(C)CC1=NC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL300020148779	1	43	-1.0	-40.35	342.29	5.23	-35.12
O=C(N1CCCC(C2=N[N-]N=N2)C1)C12CC3CC(CC(C3)O1)C2	REAL300020148780	0	45	-1.0	-38.94	322.37	4.73	-34.21
O=C(N1CCCC(C2=NN=N[N-]2)C1)C12CC3CC(CC(C3)O1)C2	REAL300020148780	1	45	-1.0	-38.95	322.43	4.76	-34.19
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C2=CC=CS2)CCOCC1	REAL300020148781	0	44	-1.0	-43.72	339.08	4.45	-39.27
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C2=CC=CS2)CCOCC1	REAL300020148781	1	44	-1.0	-43.73	339.14	4.48	-39.25
CC1=CC=C(C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C2CC2)C=C1	REAL300020148782	0	46	-1.0	-47.22	364.44	8.01	-39.21
CC1=CC=C(C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C2CC2)C=C1	REAL300020148782	1	46	-1.0	-47.20	364.50	8.03	-39.17
CN1C=C(Br)C(OCC(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL300020148783	0	37	-1.0	-52.63	331.09	2.45	-50.18
CN1C=C(Br)C(OCC(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL300020148783	1	37	-1.0	-52.64	331.04	2.42	-50.22
CC(C)(C)OC(=O)NCCC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCC1	REAL300020148784	0	56	-1.0	-56.26	419.83	4.22	-52.04
CC(C)(C)OC(=O)NCCC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCC1	REAL300020148784	1	56	-1.0	-56.27	419.88	4.24	-52.03
CC(C)(C)OC(=O)NCC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC=CC1	REAL300020148785	0	54	-1.0	-46.55	405.22	4.21	-42.34
CC(C)(C)OC(=O)NCC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC=CC1	REAL300020148785	1	54	-1.0	-46.56	405.27	4.24	-42.32
O=C(C1=NN2C=CC=NC2=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148786	0	35	-1.0	-46.88	308.00	4.35	-42.53
O=C(C1=NN2C=CC=NC2=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148786	1	35	-1.0	-46.91	307.94	4.32	-42.59
CCC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N2C=CC=CC2=N1	REAL300020148787	0	42	-1.0	-47.50	344.12	6.22	-41.28
CCC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N2C=CC=CC2=N1	REAL300020148787	1	42	-1.0	-47.56	344.17	6.24	-41.32
CC1=CC(F)=CC=C1C1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300020148788	0	43	-1.0	-46.09	340.49	6.84	-39.25
CC1=CC(F)=CC=C1C1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020148788	1	43	-1.0	-46.07	340.54	6.86	-39.21
CC1=CC=C(F)C=C1C1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300020148789	0	43	-1.0	-44.56	341.53	6.88	-37.68
CC1=CC=C(F)C=C1C1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020148789	1	43	-1.0	-44.53	341.59	6.91	-37.62
CC(C)(C)OC(=O)N1CC2CC(C1)C(C(=O)N1CCCC(C3=N[N-]N=N3)C1)C2	REAL300020148790	0	57	-1.0	-46.93	417.10	6.97	-39.96
CC(C)(C)OC(=O)N1CC2CC(C1)C(C(=O)N1CCCC(C3=NN=N[N-]3)C1)C2	REAL300020148790	1	57	-1.0	-46.89	417.16	6.99	-39.90
CC(C)(C)OC(=O)N1CCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C12CC2	REAL300020148791	0	54	-1.0	-52.95	402.68	5.65	-47.30
CC(C)(C)OC(=O)N1CCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C12CC2	REAL300020148791	1	54	-1.0	-52.96	402.74	5.67	-47.29
CC(C)(C)OC(=O)NC[C@@]1(F)C[C@H](C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020148792	0	53	-1.0	-53.71	410.77	4.18	-49.53
CC(C)(C)OC(=O)NC[C@@]1(F)C[C@H](C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020148792	1	53	-1.0	-53.74	410.83	4.20	-49.54
CC(C)(C)OC(=O)NC(CC1OCCO1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148793	0	55	-1.0	-44.46	416.82	1.90	-42.56
CC(C)(C)OC(=O)NC(CC1OCCO1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148793	1	55	-1.0	-44.43	416.88	1.92	-42.51
CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148794	0	59	-1.0	-47.52	433.81	6.25	-41.27
CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148794	1	59	-1.0	-47.53	433.87	6.28	-41.25
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C2=CC=C([N+](=O)[O-])C=C2)CC1	REAL300020148795	0	42	-1.0	-49.66	347.10	6.97	-42.69
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C2=CC=C([N+](=O)[O-])C=C2)CC1	REAL300020148795	1	42	-1.0	-49.64	347.16	7.00	-42.64
COC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C2=CC=CN=C2C=C1	REAL300020148796	0	42	-1.0	-49.98	343.72	4.25	-45.73
COC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C2=CC=CN=C2C=C1	REAL300020148796	1	42	-1.0	-50.03	343.67	4.23	-45.80
CC(C)C1=NN(C2=CC=C(F)C=C2)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148797	0	49	-1.0	-47.05	397.44	7.55	-39.50
CC(C)C1=NN(C2=CC=C(F)C=C2)C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148797	1	49	-1.0	-47.08	397.50	7.57	-39.51
CC(C)(C)OC(=O)NC[C@@]1(F)C[C@@H](C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020148798	0	53	-1.0	-48.26	414.25	4.18	-44.08
CC(C)(C)OC(=O)NC[C@@]1(F)C[C@@H](C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020148798	1	53	-1.0	-48.27	414.30	4.21	-44.06
CC(C)(C)OC(=O)N[C@@H]1C[C@]2(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C[C@H]12	REAL300020148799	0	51	-1.0	-48.91	396.59	4.08	-44.83
CC(C)(C)OC(=O)N[C@@H]1C[C@]2(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C[C@H]12	REAL300020148799	1	51	-1.0	-48.92	396.65	4.10	-44.82
COC(=O)[C@@H]1C[C@@]1(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C(C)C	REAL300020148800	0	45	-1.0	-53.43	338.42	5.01	-48.42
COC(=O)[C@@H]1C[C@@]1(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C(C)C	REAL300020148800	1	45	-1.0	-53.44	338.48	5.03	-48.41
O=C(C1=C2C=CC=CN2C(Br)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148801	0	36	-1.0	-49.29	316.86	6.37	-42.92
O=C(C1=C2C=CC=CN2C(Br)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148801	1	36	-1.0	-49.30	316.80	6.35	-42.95
CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2CC[C@@]1(C(=O)N1CCCC(C3=N[N-]N=N3)C1)C2	REAL300020148802	0	57	-1.0	-56.24	412.01	5.61	-50.63
CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2CC[C@@]1(C(=O)N1CCCC(C3=NN=N[N-]3)C1)C2	REAL300020148802	1	57	-1.0	-56.23	412.07	5.63	-50.60
O=C(C1=NNC=C1C1CCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148803	0	40	-1.0	-42.82	314.60	4.14	-38.68
O=C(C1=NNC=C1C1CCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148803	1	40	-1.0	-42.84	314.66	4.16	-38.68
CC1CC(C)(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC(C)O1	REAL300020148804	0	46	-1.0	-47.30	333.03	3.90	-43.40
CC1CC(C)(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC(C)O1	REAL300020148804	1	46	-1.0	-47.31	333.09	3.92	-43.39
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C2=CC=C(Cl)C=C2)CC(F)(F)C1	REAL300020148805	0	43	-1.0	-48.45	356.79	7.16	-41.29
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C2=CC=C(Cl)C=C2)CC(F)(F)C1	REAL300020148805	1	43	-1.0	-48.51	356.85	7.19	-41.32
COCCN1C=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1=O	REAL300020148806	0	43	-1.0	-56.18	344.27	3.79	-52.39
COCCN1C=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1=O	REAL300020148806	1	43	-1.0	-56.23	344.33	3.81	-52.42
O=C(C1=C2NC(=O)CCC2=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148807	0	41	-1.0	-54.47	328.38	3.89	-50.58
O=C(C1=C2NC(=O)CCC2=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148807	1	41	-1.0	-54.49	328.43	3.91	-50.58
O=C(C1=NN(CC(F)(F)F)C=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148808	0	36	-1.0	-46.72	326.95	4.67	-42.05
O=C(C1=NN(CC(F)(F)F)C=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148808	1	36	-1.0	-46.69	326.90	4.65	-42.04
CC1=CC=C(F)C=C1C(F)(F)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148810	0	39	-1.0	-41.45	322.46	5.84	-35.61
CC1=CC=C(F)C=C1C(F)(F)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148810	1	39	-1.0	-41.40	322.51	5.87	-35.53
O=C(C1=CC=CN(C2CCC2)C1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148811	0	43	-1.0	-53.43	334.91	5.10	-48.33
O=C(C1=CC=CN(C2CCC2)C1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148811	1	43	-1.0	-53.40	334.96	5.12	-48.28
O=C(C1=NN(CC(F)F)C=C1[N+](=O)[O-])N1CCCC(C2=NN=N[N-]2)C1	REAL300020148812	0	38	-1.0	-44.43	330.64	5.54	-38.89
O=C(C1=NN(CC(F)F)C=C1[N+](=O)[O-])N1CCCC(C2=N[N-]N=N2)C1	REAL300020148812	1	38	-1.0	-44.45	330.59	5.51	-38.94
O=C(N1CCCC(C2=N[N-]N=N2)C1)C(F)(F)C1=CC(F)=CC=C1F	REAL300020148813	0	36	-1.0	-42.06	312.80	5.45	-36.61
O=C(N1CCCC(C2=NN=N[N-]2)C1)C(F)(F)C1=CC(F)=CC=C1F	REAL300020148813	1	36	-1.0	-42.04	312.86	5.48	-36.56
O=C(N1CCCC(C2=N[N-]N=N2)C1)C(F)(F)C1=CC=CC(F)=C1F	REAL300020148814	0	36	-1.0	-51.71	309.45	5.24	-46.47
O=C(N1CCCC(C2=NN=N[N-]2)C1)C(F)(F)C1=CC=CC(F)=C1F	REAL300020148814	1	36	-1.0	-51.67	309.51	5.27	-46.40
CCC1=CC=CC=C1C(F)(F)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148815	0	42	-1.0	-43.14	329.06	6.74	-36.40
CCC1=CC=CC=C1C(F)(F)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148815	1	42	-1.0	-43.17	329.12	6.77	-36.40
O=C(CC(C1=CC=CC=C1)N1C=NN=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148816	0	44	-1.0	-58.96	358.30	5.78	-53.18
O=C(CC(C1=CC=CC=C1)N1C=NN=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148816	1	44	-1.0	-58.94	358.24	5.75	-53.19
CN1C2=C(CCCC1=O)OC=C2C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148817	0	44	-1.0	-52.68	348.00	4.05	-48.63
CN1C2=C(CCCC1=O)OC=C2C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148817	1	44	-1.0	-52.65	348.06	4.08	-48.57
CC(C1=CC=C(F)C=C1)N1CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1=O	REAL300020148818	0	50	-1.0	-48.72	392.72	7.11	-41.61
CC(C1=CC=C(F)C=C1)N1CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1=O	REAL300020148818	1	50	-1.0	-48.68	392.78	7.14	-41.54
O=C(C1=CC2=CC=C(Cl)N=C2S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148819	0	35	-1.0	-44.39	319.15	4.42	-39.97
O=C(C1=CC2=CC=C(Cl)N=C2S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148819	1	35	-1.0	-44.40	319.09	4.40	-40.00
O=C(CC1=C2NC=CC=C2N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148820	0	39	-1.0	-62.62	321.07	3.63	-58.99
O=C(CC1=C2NC=CC=C2N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148820	1	39	-1.0	-62.63	321.13	3.66	-58.97
COC1=C2NC=C(CC(=O)N3CCCC(C4=N[N-]N=N4)C3)C2=CC=C1	REAL300020148821	0	44	-1.0	-52.26	356.14	4.79	-47.47
COC1=C2NC=C(CC(=O)N3CCCC(C4=NN=N[N-]4)C3)C2=CC=C1	REAL300020148821	1	44	-1.0	-52.28	356.19	4.81	-47.47
O=C(C1=CC2=C(Cl)C=C(F)C=C2N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148822	0	37	-1.0	-43.62	323.79	5.46	-38.16
O=C(C1=CC2=C(Cl)C=C(F)C=C2N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148822	1	37	-1.0	-43.62	323.85	5.49	-38.13
COC(=O)C1=CC=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C)=C1	REAL300020148823	0	45	-1.0	-50.95	366.19	6.58	-44.37
COC(=O)C1=CC=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C)=C1	REAL300020148823	1	45	-1.0	-50.96	366.25	6.60	-44.36
O=C(C1=CC2=C(COCC2)N=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148824	0	40	-1.0	-48.04	334.24	3.11	-44.93
O=C(C1=CC2=C(COCC2)N=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148824	1	40	-1.0	-48.03	334.29	3.14	-44.89
CC1=C(Br)C(=O)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CN1C	REAL300020148825	0	39	-1.0	-63.76	335.60	4.78	-58.98
CC1=C(Br)C(=O)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CN1C	REAL300020148825	1	39	-1.0	-63.75	335.66	4.80	-58.95
O=C(C1CC2=CC(C(F)(F)F)=CC=C2C(=O)O1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148826	0	43	-1.0	-52.25	363.41	7.24	-45.01
O=C(C1CC2=CC(C(F)(F)F)=CC=C2C(=O)O1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148826	1	43	-1.0	-52.22	363.47	7.26	-44.96
CS(C)(=O)=NC1=CC=NC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020148827	0	42	-1.0	-57.50	345.59	1.80	-55.70
CS(C)(=O)=NC1=CC=NC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020148827	1	42	-1.0	-57.46	345.65	1.83	-55.63
O=C(C1=CC2=C(Br)C=CC(F)=C2N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148828	0	37	-1.0	-43.59	328.28	5.55	-38.04
O=C(C1=CC2=C(Br)C=CC(F)=C2N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148828	1	37	-1.0	-43.64	328.34	5.57	-38.07
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)NC2=CC=C(C3=CC=CC=C3)C=C21	REAL300020148829	0	50	-1.0	-44.49	399.73	8.38	-36.11
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)NC2=CC=C(C3=CC=CC=C3)C=C21	REAL300020148829	1	50	-1.0	-44.51	399.79	8.41	-36.10
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)NC2=C1CCCC2	REAL300020148830	0	44	-1.0	-46.38	337.65	5.75	-40.63
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)NC2=C1CCCC2	REAL300020148830	1	44	-1.0	-46.40	337.71	5.77	-40.63
O=C(C1=CC(CC2CCC2)=CN1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148831	0	44	-1.0	-47.76	345.54	6.28	-41.48
O=C(C1=CC(CC2CCC2)=CN1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148831	1	44	-1.0	-47.76	345.60	6.31	-41.45
COC(=O)C1=CSC(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020148832	0	39	-1.0	-51.16	341.10	5.22	-45.94
COC(=O)C1=CSC(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020148832	1	39	-1.0	-51.16	341.16	5.25	-45.91
COC(=O)C1=CC=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1F	REAL300020148833	0	42	-1.0	-53.56	354.03	6.12	-47.44
COC(=O)C1=CC=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1F	REAL300020148833	1	42	-1.0	-53.57	354.09	6.15	-47.42
CCCCN1C=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N=N1	REAL300020148834	0	41	-1.0	-46.63	332.43	3.74	-42.89
CCCCN1C=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N=N1	REAL300020148834	1	41	-1.0	-46.64	332.38	3.71	-42.93
C[C@H]1C(=O)N(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C(=O)[C@H]1C	REAL300020148835	0	42	-1.0	-53.94	335.98	3.48	-50.46
C[C@H]1C(=O)N(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C(=O)[C@H]1C	REAL300020148835	1	42	-1.0	-53.90	336.03	3.50	-50.40
C[C@@H](C1=CC=C(F)C=C1)N1CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1=O	REAL300020148836	0	50	-1.0	-56.78	388.43	6.99	-49.79
C[C@@H](C1=CC=C(F)C=C1)N1CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1=O	REAL300020148836	1	50	-1.0	-56.73	388.49	7.02	-49.71
O=C(C1CCC2(CNC(=O)C2)CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148837	0	47	-1.0	-51.53	351.62	2.70	-48.83
O=C(C1CCC2(CNC(=O)C2)CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148837	1	47	-1.0	-51.54	351.68	2.72	-48.82
COC(=O)[C@@H]1[C@H](C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1(C)C	REAL300020148838	0	42	-1.0	-51.24	330.98	4.96	-46.28
COC(=O)[C@@H]1[C@H](C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1(C)C	REAL300020148838	1	42	-1.0	-51.27	331.03	4.99	-46.28
COC(=O)C1=C2CCCCC2=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)S1	REAL300020148839	0	46	-1.0	-39.42	373.76	6.60	-32.82
COC(=O)C1=C2CCCCC2=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)S1	REAL300020148839	1	46	-1.0	-39.40	373.82	6.63	-32.77
O=C(C1CC(C2CCOCC2)=NO1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148840	0	45	-1.0	-54.59	350.74	3.90	-50.69
O=C(C1CC(C2CCOCC2)=NO1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148840	1	45	-1.0	-54.56	350.79	3.92	-50.64
O=C(C1CC(CC2=CC=CC=C2)=NO1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148841	0	44	-1.0	-55.79	357.39	6.83	-48.96
O=C(C1CC(CC2=CC=CC=C2)=NO1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148841	1	44	-1.0	-55.74	357.45	6.86	-48.88
CC1=NOC2(CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C2)C1	REAL300020148842	0	41	-1.0	-55.23	326.57	3.88	-51.35
CC1=NOC2(CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C2)C1	REAL300020148842	1	41	-1.0	-55.22	326.63	3.91	-51.31
CC(C)CC1=CC=C2C(N)=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)SC2=N1	REAL300020148843	0	49	-1.0	-46.65	393.42	5.25	-41.40
CC(C)CC1=CC=C2C(N)=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)SC2=N1	REAL300020148843	1	49	-1.0	-46.64	393.47	5.28	-41.36
CCCC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=NN1C	REAL300020148844	0	42	-1.0	-48.21	334.74	4.78	-43.43
CCCC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=NN1C	REAL300020148844	1	42	-1.0	-48.20	334.80	4.81	-43.39
CCCC1=NN(C)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020148845	0	42	-1.0	-43.69	332.77	4.30	-39.39
CCCC1=NN(C)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020148845	1	42	-1.0	-43.66	332.83	4.32	-39.34
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300020148846	0	48	0.0	-61.55	339.13	5.59	-55.96
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020148846	1	48	0.0	-61.52	339.19	5.61	-55.91
C[C@H](C1=CC=C(F)C=C1)N1CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1=O	REAL300020148847	0	50	-1.0	-48.69	393.26	7.13	-41.56
C[C@H](C1=CC=C(F)C=C1)N1CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1=O	REAL300020148847	1	50	-1.0	-48.69	393.32	7.16	-41.53
O=C(C1=C2CCCCC2=NNC1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148848	0	42	-1.0	-53.72	333.80	2.38	-51.34
O=C(C1=C2CCCCC2=NNC1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148848	1	42	-1.0	-53.68	333.85	2.40	-51.28
O=C(C1=CC=C(N2CCCNS2(=O)=O)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148849	0	47	-1.0	-56.35	376.45	1.44	-54.91
O=C(C1=CC=C(N2CCCNS2(=O)=O)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148849	1	47	-1.0	-56.39	376.51	1.46	-54.93
CC(C)CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=NO1	REAL300020148850	0	41	-1.0	-43.01	329.07	5.22	-37.79
CC(C)CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=NO1	REAL300020148850	1	41	-1.0	-43.00	329.12	5.24	-37.76
CC1=C(C2CC2)ON=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148851	0	39	-1.0	-43.06	316.99	5.32	-37.74
CC1=C(C2CC2)ON=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148851	1	39	-1.0	-43.10	317.05	5.34	-37.76
CC[C@@H]1C[C@H](C(=O)N2CCCC(C3=N[N-]N=N3)C2)N(C(=O)OC(C)(C)C)C1	REAL300020148852	0	56	-1.0	-55.86	423.20	6.28	-49.58
CC[C@@H]1C[C@H](C(=O)N2CCCC(C3=NN=N[N-]3)C2)N(C(=O)OC(C)(C)C)C1	REAL300020148852	1	56	-1.0	-55.84	423.26	6.30	-49.54
CC(C)(C)OC(=O)NC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1CCCOC1	REAL300020148853	0	57	-1.0	-44.21	414.50	2.57	-41.64
CC(C)(C)OC(=O)NC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1CCCOC1	REAL300020148853	1	57	-1.0	-44.23	414.56	2.59	-41.64
O=C(C1=CN=C(C2CCOCC2)S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148854	0	43	-1.0	-45.94	350.90	3.10	-42.84
O=C(C1=CN=C(C2CCOCC2)S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148854	1	43	-1.0	-45.93	350.96	3.13	-42.80
O=C(N1CCCC(C2=N[N-]N=N2)C1)C12CC(C(F)(F)F)(C1)CO2	REAL300020148855	0	38	-1.0	-36.94	317.35	3.59	-33.35
O=C(N1CCCC(C2=NN=N[N-]2)C1)C12CC(C(F)(F)F)(C1)CO2	REAL300020148855	1	38	-1.0	-36.94	317.41	3.62	-33.32
CC(NC1=CC=C(C(F)(F)F)C=N1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148856	0	43	-1.0	-48.07	358.18	4.30	-43.77
CC(NC1=CC=C(C(F)(F)F)C=N1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148856	1	43	-1.0	-48.03	358.24	4.33	-43.70
O=C(C1=CN=C2COCCC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148857	0	40	-1.0	-44.50	319.24	2.62	-41.88
O=C(C1=CN=C2COCCC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148857	1	40	-1.0	-44.46	319.30	2.64	-41.82
CCC1=CC([N+](=O)[O-])=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148858	0	41	-1.0	-43.44	337.44	6.47	-36.97
CCC1=CC([N+](=O)[O-])=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148858	1	41	-1.0	-43.46	337.49	6.49	-36.97
CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=NN1CC(F)(F)F	REAL300020148859	0	39	-1.0	-43.49	332.03	4.55	-38.94
CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=NN1CC(F)(F)F	REAL300020148859	1	39	-1.0	-43.51	332.09	4.57	-38.94
CN1C=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C2=CC=CC(Cl)=C21	REAL300020148860	0	40	-1.0	-49.53	336.71	6.51	-43.02
CN1C=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C2=CC=CC(Cl)=C21	REAL300020148860	1	40	-1.0	-49.54	336.77	6.53	-43.01
CC1=C(C2=CC=CC=C2)ON=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148861	0	42	-1.0	-42.53	346.30	6.84	-35.69
CC1=C(C2=CC=CC=C2)ON=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148861	1	42	-1.0	-42.57	346.24	6.81	-35.76
O=C(C=CC1=C(Br)C=CS1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148862	0	34	-1.0	-47.33	313.62	5.60	-41.73
O=C(C=CC1=C(Br)C=CS1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148862	1	34	-1.0	-47.36	313.68	5.62	-41.74
O=C(C=CC1=C(Br)SC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148863	0	34	-1.0	-48.51	313.56	5.55	-42.96
O=C(C=CC1=C(Br)SC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148863	1	34	-1.0	-48.52	313.61	5.57	-42.95
C[C@@H]1C[C@H]1C(=O)NC1=CC=C(F)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148864	0	47	-1.0	-42.64	382.97	5.88	-36.76
C[C@@H]1C[C@H]1C(=O)NC1=CC=C(F)C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148864	1	47	-1.0	-42.72	383.03	5.90	-36.82
O=C(C1=C(F)C=CC2=NNC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148865	0	36	-1.0	-46.89	307.71	3.34	-43.55
O=C(C1=C(F)C=CC2=NNC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148865	1	36	-1.0	-46.86	307.77	3.36	-43.50
O=C(C1=CN=CC(N2C=CC=N2)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148866	0	38	-1.0	-43.17	319.66	3.92	-39.25
O=C(C1=CN=CC(N2C=CC=N2)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148866	1	38	-1.0	-43.18	319.61	3.89	-39.29
O=C(C1=CC(F)=CC2=CN=CC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148867	0	38	-1.0	-46.10	316.39	5.00	-41.10
O=C(C1=CC(F)=CC2=CN=CC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148867	1	38	-1.0	-46.11	316.33	4.97	-41.14
CN1N=NC=C1C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020148868	0	42	-1.0	-51.27	338.34	4.15	-47.12
CN1N=NC=C1C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020148868	1	42	-1.0	-51.23	338.40	4.18	-47.05
CC(=O)NC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020148869	0	43	-1.0	-45.26	347.72	3.75	-41.51
CC(=O)NC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020148869	1	43	-1.0	-45.27	347.78	3.77	-41.50
CCCC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)N1SC2=CC=CC=C2C1=O	REAL300020148870	0	48	-1.0	-59.68	390.69	8.42	-51.26
CCCC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)N1SC2=CC=CC=C2C1=O	REAL300020148870	1	48	-1.0	-59.64	390.75	8.45	-51.19
O=C(C#CC1=CC=C(F)C(F)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148871	0	35	-1.0	-44.13	315.18	6.24	-37.89
O=C(C#CC1=CC=C(F)C(F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148871	1	35	-1.0	-44.13	315.23	6.26	-37.87
CC(C)(C)C1=CC=CN=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148872	0	44	-1.0	-47.12	326.66	5.24	-41.88
CC(C)(C)C1=CC=CN=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148872	1	44	-1.0	-47.11	326.61	5.21	-41.90
CC(C)(C)OC(=O)N1CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020148873	0	51	-1.0	-42.49	386.90	6.13	-36.36
CC(C)(C)OC(=O)N1CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020148873	1	51	-1.0	-42.46	386.95	6.15	-36.31
CC1=C(F)C=CC=C1C1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300020148874	0	43	-1.0	-49.26	339.37	6.78	-42.48
CC1=C(F)C=CC=C1C1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020148874	1	43	-1.0	-49.29	339.42	6.81	-42.48
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C2=CC=CS2)CCCC1	REAL300020148875	0	43	-1.0	-44.16	335.56	6.31	-37.85
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C2=CC=CS2)CCCC1	REAL300020148875	1	43	-1.0	-44.14	335.61	6.33	-37.81
O=C(C1=NOC(COC2=CC=C(F)C=C2F)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148876	0	43	-1.0	-47.72	370.17	5.86	-41.86
O=C(C1=NOC(COC2=CC=C(F)C=C2F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148876	1	43	-1.0	-47.73	370.23	5.89	-41.84
O=C(C(C1=CC=CS1)C1CCCCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148877	0	49	-1.0	-46.11	376.75	8.00	-38.11
O=C(C(C1=CC=CS1)C1CCCCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148877	1	49	-1.0	-46.06	376.81	8.02	-38.04
C=C(C)[C@@H]1OCCC[C@H]1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148878	0	44	-1.0	-45.19	338.12	4.37	-40.82
C=C(C)[C@@H]1OCCC[C@H]1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148878	1	44	-1.0	-45.22	338.18	4.40	-40.82
NC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=NN1C1=CC=C(F)C=C1	REAL300020148879	0	42	-1.0	-45.14	347.03	4.69	-40.45
NC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=NN1C1=CC=C(F)C=C1	REAL300020148879	1	42	-1.0	-45.13	346.98	4.66	-40.47
CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC2=NNN=C21	REAL300020148880	0	38	-1.0	-44.80	311.47	2.32	-42.48
CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC2=NNN=C21	REAL300020148880	1	38	-1.0	-44.77	311.53	2.34	-42.43
CCOC(=O)C12CCC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)(CC1)CC2	REAL300020148881	0	52	-1.0	-48.05	381.53	6.66	-41.39
CCOC(=O)C12CCC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)(CC1)CC2	REAL300020148881	1	52	-1.0	-48.05	381.59	6.68	-41.37
O=C(C1=CC=CC(N2C=CC=C2)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148882	0	40	-1.0	-46.63	328.08	7.36	-39.27
O=C(C1=CC=CC(N2C=CC=C2)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148882	1	40	-1.0	-46.65	328.02	7.34	-39.31
O=C(CCC1=CC=C2OC=NC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148883	0	41	-1.0	-50.50	337.82	3.16	-47.34
O=C(CCC1=CC=C2OC=NC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148883	1	41	-1.0	-50.55	337.88	3.19	-47.36
O=C(C1=CC2=C(CCSC2)N=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148884	0	40	-1.0	-46.77	343.76	5.28	-41.49
O=C(C1=CC2=C(CCSC2)N=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148884	1	40	-1.0	-46.79	343.82	5.31	-41.48
O=C(C1=CC(Cl)=CC2=C1NCCC2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148885	0	42	-1.0	-45.04	343.90	5.07	-39.97
O=C(C1=CC(Cl)=CC2=C1NCCC2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148885	1	42	-1.0	-44.98	343.96	5.10	-39.88
NC1=NC(C2=COC=C2)=NC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148886	0	40	-1.0	-44.17	336.44	2.44	-41.73
NC1=NC(C2=COC=C2)=NC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148886	1	40	-1.0	-44.20	336.38	2.41	-41.79
CC(C)(C)OC(=O)NC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC(F)(F)C1	REAL300020148887	0	50	-1.0	-49.59	393.84	4.71	-44.88
CC(C)(C)OC(=O)NC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC(F)(F)C1	REAL300020148887	1	50	-1.0	-49.64	393.90	4.74	-44.90
CC1=C(C(N)=O)C=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148888	0	40	-1.0	-55.23	318.12	1.82	-53.41
CC1=C(C(N)=O)C=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148888	1	40	-1.0	-55.23	318.18	1.84	-53.39
O=C(CC1=CC(Cl)=CC(Br)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148889	0	36	-1.0	-46.91	332.73	6.57	-40.34
O=C(CC1=CC(Cl)=CC(Br)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148889	1	36	-1.0	-46.94	332.79	6.59	-40.35
CN1N=C(C(F)(F)F)C=C1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148890	0	39	-1.0	-52.57	336.10	3.92	-48.65
CN1N=C(C(F)(F)F)C=C1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148890	1	39	-1.0	-52.55	336.16	3.95	-48.60
O=C(C1=CC2=CC=CC(OC(F)F)=C2O1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148891	0	40	-1.0	-44.08	337.75	4.73	-39.35
O=C(C1=CC2=CC=CC(OC(F)F)=C2O1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148891	1	40	-1.0	-44.07	337.81	4.76	-39.31
CCC1=CN2CCC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)CC2=N1	REAL300020148892	0	46	-1.0	-48.23	358.01	6.15	-42.08
CCC1=CN2CCC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)CC2=N1	REAL300020148892	1	46	-1.0	-48.22	358.06	6.18	-42.04
O=C(CC1CCCC2CCCCC12)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148893	0	52	-1.0	-45.18	365.44	7.65	-37.53
O=C(CC1CCCC2CCCCC12)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148893	1	52	-1.0	-45.14	365.50	7.68	-37.46
COC1=C2C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CSC2=CC=C1	REAL300020148894	0	40	-1.0	-42.74	333.28	6.23	-36.51
COC1=C2C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=CSC2=CC=C1	REAL300020148894	1	40	-1.0	-42.74	333.34	6.25	-36.49
O=C(C1=C2C=CC=CC2=NS1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148895	0	35	-1.0	-40.83	300.88	4.44	-36.39
O=C(C1=C2C=CC=CC2=NS1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148895	1	35	-1.0	-40.77	300.82	4.42	-36.35
CN1N=NC2=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=CC=C21	REAL300020148896	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	REAL300020148896	1	38	-1.0	-63.02	312.33	2.96	-60.06
O=C(C1=C2SC(Br)=CN2C=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148897	0	33	-1.0	-50.12	309.74	6.39	-43.73
O=C(C1=C2SC(Br)=CN2C=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148897	1	33	-1.0	-50.12	309.68	6.37	-43.75
CCOC1=CC=C(Cl)N=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148898	0	39	-1.0	-48.93	333.20	4.95	-43.98
CCOC1=CC=C(Cl)N=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148898	1	39	-1.0	-48.92	333.14	4.93	-43.99
COC1=NC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C)=N1	REAL300020148899	0	38	-1.0	-43.20	312.25	-0.32	-43.52
COC1=NC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C)=N1	REAL300020148899	1	38	-1.0	-43.22	312.31	-0.29	-43.51
COC(=O)CC1(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300020148900	0	42	-1.0	-44.13	338.73	5.19	-38.94
COC(=O)CC1(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020148900	1	42	-1.0	-44.11	338.79	5.22	-38.89
CC(CC1=CC=NC=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148901	0	41	-1.0	-46.67	326.96	4.85	-41.82
CC(CC1=CC=NC=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148901	1	41	-1.0	-46.67	327.02	4.87	-41.80
O=C(C1CC(N2C=CN=C2)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148902	0	40	-1.0	-49.41	318.96	5.68	-43.73
O=C(C1CC(N2C=CN=C2)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148902	1	40	-1.0	-49.46	319.02	5.70	-43.76
O=C(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CNC2=CC=C(F)C=C12	REAL300020148903	0	39	-1.0	-43.35	327.15	4.59	-38.76
O=C(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CNC2=CC=C(F)C=C12	REAL300020148903	1	39	-1.0	-43.36	327.20	4.62	-38.74
CC1=CC=CC(C(O)C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020148904	0	40	-1.0	-45.93	318.61	3.80	-42.13
CC1=CC=CC(C(O)C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020148904	1	40	-1.0	-45.93	318.67	3.82	-42.11
C[C@@H]1OCCN(C(=O)OC(C)(C)C)[C@H]1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148905	0	54	-1.0	-53.25	403.91	4.37	-48.88
C[C@@H]1OCCN(C(=O)OC(C)(C)C)[C@H]1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148905	1	54	-1.0	-53.26	403.96	4.40	-48.86
CC(C)(C)OC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148906	0	54	-1.0	-53.56	405.86	6.34	-47.22
CC(C)(C)OC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148906	1	54	-1.0	-53.60	405.92	6.37	-47.23
COC1CCN(C(=O)OC(C)(C)C)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020148907	0	57	-1.0	-56.98	425.22	5.13	-51.85
COC1CCN(C(=O)OC(C)(C)C)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020148907	1	57	-1.0	-57.03	425.28	5.16	-51.87
CCO[C@@H]1C[C@@H](C(=O)N2CCCC(C3=N[N-]N=N3)C2)N(C(=O)OC(C)(C)C)C1	REAL300020148908	0	57	-1.0	-50.47	439.69	5.19	-45.28
CCO[C@@H]1C[C@@H](C(=O)N2CCCC(C3=NN=N[N-]3)C2)N(C(=O)OC(C)(C)C)C1	REAL300020148908	1	57	-1.0	-50.51	439.75	5.22	-45.29
CC(C)(C)OC(=O)NC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1CC2CC2C1	REAL300020148909	0	57	-1.0	-42.53	416.90	4.96	-37.57
CC(C)(C)OC(=O)NC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1CC2CC2C1	REAL300020148909	1	57	-1.0	-42.57	416.96	4.98	-37.59
CC(C)(C)OC(=O)NCCN1C=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=N1	REAL300020148910	0	53	-1.0	-56.00	420.28	2.80	-53.20
CC(C)(C)OC(=O)NCCN1C=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=N1	REAL300020148910	1	53	-1.0	-56.00	420.22	2.77	-53.23
CC1CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CN1C(=O)OC(C)(C)C	REAL300020148911	0	53	-1.0	-46.16	398.98	5.29	-40.87
CC1CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CN1C(=O)OC(C)(C)C	REAL300020148911	1	53	-1.0	-46.19	399.04	5.31	-40.88
CC1=NC(C2CCOCC2)=NC(C)=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148912	0	51	-1.0	-42.94	399.47	4.31	-38.63
CC1=NC(C2CCOCC2)=NC(C)=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148912	1	51	-1.0	-42.90	399.53	4.34	-38.56
O=C(C1=CC2=C(CCCC2=O)N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148913	0	40	-1.0	-41.69	320.36	4.28	-37.41
O=C(C1=CC2=C(CCCC2=O)N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148913	1	40	-1.0	-41.64	320.41	4.30	-37.34
CC(C)(C)C1=CC=C2C(N)=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)SC2=N1	REAL300020148914	0	49	-1.0	-46.45	393.54	4.58	-41.87
CC(C)(C)C1=CC=C2C(N)=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)SC2=N1	REAL300020148914	1	49	-1.0	-46.42	393.49	4.55	-41.87
O=C(C1=COC(CN2C=CC=N2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148915	0	40	-1.0	-48.21	335.85	4.36	-43.85
O=C(C1=COC(CN2C=CC=N2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148915	1	40	-1.0	-48.20	335.79	4.33	-43.87
COC1=CC=C(Cl)C(F)=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148916	0	37	-1.0	-50.72	325.89	4.48	-46.24
COC1=CC=C(Cl)C(F)=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148916	1	37	-1.0	-50.73	325.95	4.50	-46.23
N#CC1=CNC2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C12	REAL300020148917	0	38	-1.0	-49.97	322.56	4.90	-45.07
N#CC1=CNC2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C12	REAL300020148917	1	38	-1.0	-50.01	322.61	4.93	-45.08
O=C(C1=CNC(C2=CC=CC=C2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148918	0	41	-1.0	-42.57	331.87	5.90	-36.67
O=C(C1=CNC(C2=CC=CC=C2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148918	1	41	-1.0	-42.56	331.93	5.93	-36.63
CCC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(F)=C1	REAL300020148919	0	39	-1.0	-39.49	319.22	5.93	-33.56
CCC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(F)=C1	REAL300020148919	1	39	-1.0	-39.49	319.28	5.96	-33.53
O=C(N1CCCC(C2=N[N-]N=N2)C1)[C@]12CCO[C@H]1CC(=O)NC2	REAL300020148920	0	42	-1.0	-51.63	316.58	-0.30	-51.93
O=C(N1CCCC(C2=NN=N[N-]2)C1)[C@]12CCO[C@H]1CC(=O)NC2	REAL300020148920	1	42	-1.0	-51.69	316.64	-0.28	-51.97
CC1CCCC(O)(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300020148921	0	46	-1.0	-43.53	331.52	2.83	-40.70
CC1CCCC(O)(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020148921	1	46	-1.0	-43.52	331.58	2.86	-40.66
CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C(S(N)(=O)=O)S1	REAL300020148922	0	38	-1.0	-59.88	334.17	0.04	-59.84
CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C(S(N)(=O)=O)S1	REAL300020148922	1	38	-1.0	-59.88	334.23	0.06	-59.82
CC(C)(C)C1CCC(C(O)C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300020148923	0	55	-1.0	-35.86	388.40	5.50	-30.36
CC(C)(C)C1CCC(C(O)C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020148923	1	55	-1.0	-35.85	388.46	5.52	-30.33
COC1=CC(Br)=CC=C1C(=O)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148924	0	39	-1.0	-44.50	345.34	5.63	-38.87
COC1=CC(Br)=CC=C1C(=O)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148924	1	39	-1.0	-44.50	345.40	5.65	-38.85
CCOC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=CS1	REAL300020148925	0	37	-1.0	-50.80	314.36	3.86	-46.94
CCOC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=CS1	REAL300020148925	1	37	-1.0	-50.76	314.42	3.88	-46.88
NC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=NN1C1=CC=CC=C1F	REAL300020148926	0	42	-1.0	-49.12	351.58	4.68	-44.44
NC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=NN1C1=CC=CC=C1F	REAL300020148926	1	42	-1.0	-49.11	351.53	4.66	-44.45
O=C(C1=C2NC=CC2=CC(F)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148927	0	37	-1.0	-43.96	310.04	4.59	-39.37
O=C(C1=C2NC=CC2=CC(F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148927	1	37	-1.0	-44.00	310.10	4.61	-39.39
CCC1=NNC(CC)=C1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148928	0	45	-1.0	-50.04	356.28	4.44	-45.60
CCC1=NNC(CC)=C1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148928	1	45	-1.0	-50.07	356.34	4.47	-45.60
CN(C)C1=NC2=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=CC=C2O1	REAL300020148929	0	43	-1.0	-57.23	351.08	3.03	-54.20
CN(C)C1=NC2=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=CC=C2O1	REAL300020148929	1	43	-1.0	-57.23	351.02	3.00	-54.23
O=C([C@@H](O)CC1=CC2=CC=CC=C2C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148930	0	46	-1.0	-47.71	367.74	6.16	-41.55
O=C([C@@H](O)CC1=CC2=CC=CC=C2C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148930	1	46	-1.0	-47.70	367.80	6.18	-41.52
CS(C)(=O)=NC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)S1	REAL300020148931	0	40	-1.0	-61.22	343.51	1.86	-59.36
CS(C)(=O)=NC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)S1	REAL300020148931	1	40	-1.0	-61.22	343.57	1.88	-59.34
O=C(CCC(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC(Br)=CS1	REAL300020148932	0	38	-1.0	-44.35	348.66	5.79	-38.56
O=C(CCC(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC(Br)=CS1	REAL300020148932	1	38	-1.0	-44.36	348.72	5.82	-38.54
CC(C)C[N@@H+]1CCCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020148933	0	51	0.0	-47.38	359.09	6.86	-40.52
CC(C)C[N@H+]1CCCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020148933	1	51	0.0	-66.53	370.91	6.79	-59.74
CC(C)C[N@@H+]1CCCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020148933	1	51	0.0	-47.38	359.09	6.86	-40.52
CC(C)C[N@H+]1CCCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020148933	1	51	0.0	-66.53	370.91	6.79	-59.74
CCC(=CC1=CC=CC=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148934	0	43	-1.0	-44.63	339.35	6.98	-37.65
CCC(=CC1=CC=CC=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148934	1	43	-1.0	-44.65	339.41	7.00	-37.65
O=C(C1=CSN=C1C1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148936	0	39	-1.0	-45.81	334.01	5.66	-40.15
O=C(C1=CSN=C1C1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148936	1	39	-1.0	-45.84	333.95	5.64	-40.20
O=C(C1=C(F)C(F)=C(F)C(F)=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148937	0	33	-1.0	-41.31	305.55	4.86	-36.45
O=C(C1=C(F)C(F)=C(F)C(F)=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148937	1	33	-1.0	-41.28	305.61	4.89	-36.39
CC(C)(C)OC(=O)NCC1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1	REAL300020148938	0	46	-1.0	-42.49	379.40	3.03	-39.46
CC(C)(C)OC(=O)NCC1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1	REAL300020148938	1	46	-1.0	-42.47	379.46	3.05	-39.42
O=C(CCC1=N[N-]N=N1)NC(C1=CC(F)=CC(Br)=C1)C1CC1	REAL300020148939	0	36	-1.0	-37.73	324.84	6.18	-31.55
O=C(CCC1=NN=N[N-]1)NC(C1=CC(F)=CC(Br)=C1)C1CC1	REAL300020148939	1	36	-1.0	-37.75	324.90	6.19	-31.56
CC(C)(NC(=O)CCC1=N[N-]N=N1)C1=CC=CC(Cl)=C1F	REAL300020148940	0	35	-1.0	-41.38	304.41	4.38	-37.00
CC(C)(NC(=O)CCC1=NN=N[N-]1)C1=CC=CC(Cl)=C1F	REAL300020148940	1	35	-1.0	-41.36	304.47	4.39	-36.97
O=C(CCC1=N[N-]N=N1)NC1=CC=C(C(=O)N2CCOCC2)C(F)=C1	REAL300020148941	0	41	-1.0	-48.25	345.98	2.19	-46.06
O=C(CCC1=NN=N[N-]1)NC1=CC=C(C(=O)N2CCOCC2)C(F)=C1	REAL300020148941	1	41	-1.0	-48.27	346.04	2.21	-46.06
CC(C)(C)OC(=O)N1CC=C(CNC(=O)CCC2=N[N-]N=N2)CC1	REAL300020148942	0	47	-1.0	-42.64	376.64	3.62	-39.02
CC(C)(C)OC(=O)N1CC=C(CNC(=O)CCC2=NN=N[N-]2)CC1	REAL300020148942	1	47	-1.0	-42.63	376.70	3.64	-38.99
O=C(CCC1=NN=N[N-]1)NC1=CC=C(OC2=CC=C(Cl)C=C2)C=N1	REAL300020148943	0	36	-1.0	-43.57	333.64	5.62	-37.95
O=C(CCC1=N[N-]N=N1)NC1=CC=C(OC2=CC=C(Cl)C=C2)C=N1	REAL300020148943	1	36	-1.0	-43.52	333.58	5.61	-37.91
CC1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1OCC1=CC=CC(Cl)=C1	REAL300020148944	0	43	-1.0	-41.14	379.85	7.11	-34.03
CC1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1OCC1=CC=CC(Cl)=C1	REAL300020148944	1	43	-1.0	-41.19	379.90	7.13	-34.06
O=C(CCC1=N[N-]N=N1)NNC1=CC=C([N+](=O)[O-])C=C1Br	REAL300020148945	0	30	-1.0	-39.87	295.08	3.53	-36.34
O=C(CCC1=NN=N[N-]1)NNC1=CC=C([N+](=O)[O-])C=C1Br	REAL300020148945	1	30	-1.0	-39.93	295.14	3.55	-36.38
O=C(CCC1=NN=N[N-]1)N1CCC(OC2=CN=CC(Cl)=N2)CC1	REAL300020148946	0	38	-1.0	-40.09	333.13	1.53	-38.56
O=C(CCC1=N[N-]N=N1)N1CCC(OC2=CN=CC(Cl)=N2)CC1	REAL300020148946	1	38	-1.0	-40.11	333.07	1.52	-38.59
O=C(CCC1=N[N-]N=N1)NCC1=CC=CC(C(=O)N2CCOCC2)=C1	REAL300020148947	0	44	-1.0	-46.53	363.74	2.19	-44.34
O=C(CCC1=NN=N[N-]1)NCC1=CC=CC(C(=O)N2CCOCC2)=C1	REAL300020148947	1	44	-1.0	-46.55	363.80	2.21	-44.34
CN1C2=CC=C(Cl)C=C2N=C1CNC(=O)CCC1=N[N-]N=N1	REAL300020148948	0	35	-1.0	-42.61	320.79	3.53	-39.08
CN1C2=CC=C(Cl)C=C2N=C1CNC(=O)CCC1=NN=N[N-]1	REAL300020148948	1	35	-1.0	-42.59	320.85	3.54	-39.05
CC1=CC(CNC(=O)CCC2=N[N-]N=N2)=CC=C1C1=CC=CC=C1	REAL300020148949	0	42	-1.0	-39.77	353.64	6.77	-33.00
CC1=CC(CNC(=O)CCC2=NN=N[N-]2)=CC=C1C1=CC=CC=C1	REAL300020148949	1	42	-1.0	-39.80	353.70	6.78	-33.02
COC(=O)C(NC(=O)CCC1=N[N-]N=N1)C1=CC=C(C)C(C)=C1	REAL300020148950	0	41	-1.0	-43.40	347.61	4.95	-38.45
COC(=O)C(NC(=O)CCC1=NN=N[N-]1)C1=CC=C(C)C(C)=C1	REAL300020148950	1	41	-1.0	-43.37	347.67	4.97	-38.40
COC(=O)C(NC(=O)CCC1=N[N-]N=N1)C1=CC(C)=CC(C)=C1	REAL300020148951	0	41	-1.0	-43.25	352.08	5.07	-38.18
COC(=O)C(NC(=O)CCC1=NN=N[N-]1)C1=CC(C)=CC(C)=C1	REAL300020148951	1	41	-1.0	-43.28	352.14	5.09	-38.19
COC(=O)C(NC(=O)CCC1=N[N-]N=N1)C1=CC=C2OCCC2=C1	REAL300020148952	0	40	-1.0	-44.58	345.13	3.59	-40.99
COC(=O)C(NC(=O)CCC1=NN=N[N-]1)C1=CC=C2OCCC2=C1	REAL300020148952	1	40	-1.0	-44.62	345.19	3.61	-41.01
O=C(CCC1=N[N-]N=N1)N1CCCCC1C1=CC=CC(C(F)(F)F)=C1	REAL300020148953	0	42	-1.0	-40.63	344.30	7.15	-33.48
O=C(CCC1=NN=N[N-]1)N1CCCCC1C1=CC=CC(C(F)(F)F)=C1	REAL300020148953	1	42	-1.0	-40.62	344.36	7.17	-33.45
CC(C)(CNC(=O)CCC1=N[N-]N=N1)C1=CC=CC(Cl)=C1F	REAL300020148954	0	38	-1.0	-39.34	325.47	4.96	-34.38
CC(C)(CNC(=O)CCC1=NN=N[N-]1)C1=CC=CC(Cl)=C1F	REAL300020148954	1	38	-1.0	-39.30	325.53	4.98	-34.32
CCOC(=O)N1CCC(C(C)NC(=O)CCC2=N[N-]N=N2)CC1	REAL300020148955	0	46	-1.0	-44.71	366.78	3.47	-41.24
CCOC(=O)N1CCC(C(C)NC(=O)CCC2=NN=N[N-]2)CC1	REAL300020148955	1	46	-1.0	-44.66	366.83	3.49	-41.17
COC(=O)CC(C)(NC(=O)CCC1=NN=N[N-]1)C1=CC=CC=N1	REAL300020148956	0	40	-1.0	-44.19	331.15	3.08	-41.11
COC(=O)CC(C)(NC(=O)CCC1=N[N-]N=N1)C1=CC=CC=N1	REAL300020148956	1	40	-1.0	-44.21	331.09	3.07	-41.14
COC(=O)CC(C)(NC(=O)CCC1=NN=N[N-]1)C1=CC=NC=C1	REAL300020148957	0	40	-1.0	-45.51	328.74	2.43	-43.08
COC(=O)CC(C)(NC(=O)CCC1=N[N-]N=N1)C1=CC=NC=C1	REAL300020148957	1	40	-1.0	-45.54	328.68	2.42	-43.12
CCOC1CC(NC(=O)CCC2=N[N-]N=N2)C1OC1=CC=CC=C1	REAL300020148958	0	44	-1.0	-40.06	365.97	3.92	-36.14
CCOC1CC(NC(=O)CCC2=NN=N[N-]2)C1OC1=CC=CC=C1	REAL300020148958	1	44	-1.0	-40.07	366.02	3.93	-36.14
O=C(CCC1=N[N-]N=N1)N1CCC(O)(C2=C(F)C=CC=C2F)CC1	REAL300020148959	0	40	-1.0	-41.87	327.26	3.43	-38.44
O=C(CCC1=NN=N[N-]1)N1CCC(O)(C2=C(F)C=CC=C2F)CC1	REAL300020148959	1	40	-1.0	-41.91	327.32	3.45	-38.46
O=C(CCC1=N[N-]N=N1)N1CCC(C2=NN=C3CCCCN32)CC1	REAL300020148960	0	45	-1.0	-51.08	353.22	6.20	-44.88
O=C(CCC1=NN=N[N-]1)N1CCC(C2=NN=C3CCCCN32)CC1	REAL300020148960	1	45	-1.0	-51.05	353.27	6.21	-44.84
COC(=O)C1=CC=C(C)C(NC(=O)CCC2=N[N-]N=N2)=C1O	REAL300020148961	0	36	-1.0	-48.68	316.57	2.74	-45.94
COC(=O)C1=CC=C(C)C(NC(=O)CCC2=NN=N[N-]2)=C1O	REAL300020148961	1	36	-1.0	-48.69	316.63	2.76	-45.93
O=C(CCC1=N[N-]N=N1)NCC1=NC(C2=CC=CS2)=CN1	REAL300020148962	0	33	-1.0	-43.46	308.88	2.11	-41.35
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COC1=CC=C(C2=NOC(CNC(=O)CCC3=N[N-]N=N3)C2)C=C1C	REAL300020149011	0	44	-1.0	-45.97	371.48	3.09	-42.88
COC1=CC=C(C2=NOC(CNC(=O)CCC3=NN=N[N-]3)C2)C=C1C	REAL300020149011	1	44	-1.0	-45.95	371.53	3.11	-42.84
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COC1=CC=C(C2=NOC(CNC(=O)CCC3=NN=N[N-]3)C2)C=C1	REAL300020149012	1	41	-1.0	-46.03	351.50	2.36	-43.67
CC1=CC=C(C2=NOC(CNC(=O)CCC3=N[N-]N=N3)C2)C=C1C	REAL300020149013	0	43	-1.0	-45.09	360.39	4.25	-40.84
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O=C(CCC1=N[N-]N=N1)N1CCC[C@@H](CN2CCOCC2)C1	REAL300020149014	1	45	-1.0	-40.28	342.45	2.19	-38.09
O=C(CCC1=NN=N[N-]1)N1CCC[C@@H](CN2CCOCC2)C1	REAL300020149014	1	45	-1.0	-40.33	342.51	2.21	-38.12
CCOC1=CC=CC=C1CN1CCN(C(=O)CCC2=N[N-]N=N2)C(C)C1	REAL300020149015	0	51	-1.0	-39.52	393.65	4.73	-34.79
CCOC1=CC=CC=C1CN1CCN(C(=O)CCC2=NN=N[N-]2)C(C)C1	REAL300020149015	1	51	-1.0	-39.52	393.71	4.74	-34.78
O=C(CCC1=N[N-]N=N1)NC1CC(C2=CC=CC(Cl)=C2)C1	REAL300020149016	0	36	-1.0	-40.41	318.19	5.12	-35.29
O=C(CCC1=NN=N[N-]1)NC1CC(C2=CC=CC(Cl)=C2)C1	REAL300020149016	1	36	-1.0	-40.36	318.25	5.14	-35.22
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O=C(CCC1=NN=N[N-]1)NC1CCN(C(=O)NC2=CC=CC=C2)C1	REAL300020149017	1	42	-1.0	-50.82	351.67	2.90	-47.92
CC(C)C(NC(=O)CCC1=N[N-]N=N1)C1=CC=C(C(C)(C)C)C=C1	REAL300020149018	0	50	-1.0	-38.47	382.22	6.92	-31.55
CC(C)C(NC(=O)CCC1=NN=N[N-]1)C1=CC=C(C(C)(C)C)C=C1	REAL300020149018	1	50	-1.0	-38.53	382.28	6.94	-31.59
O=C(CCC1=NN=N[N-]1)N(CC1=CC=C(N2C=NC=N2)C=C1)C1CC1	REAL300020149019	0	42	-1.0	-47.61	344.81	8.36	-39.25
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CCCOC1=CC=C(C(C)(C)NC(=O)CCC2=N[N-]N=N2)C=C1	REAL300020149020	0	45	-1.0	-39.64	356.71	5.00	-34.64
CCCOC1=CC=C(C(C)(C)NC(=O)CCC2=NN=N[N-]2)C=C1	REAL300020149020	1	45	-1.0	-39.63	356.77	5.02	-34.61
O=C(CCC1=N[N-]N=N1)N1CCNC(=O)C1C1=CC=C(Br)C=C1	REAL300020149021	0	37	-1.0	-43.43	327.56	2.96	-40.47
O=C(CCC1=NN=N[N-]1)N1CCNC(=O)C1C1=CC=C(Br)C=C1	REAL300020149021	1	37	-1.0	-43.43	327.62	2.98	-40.45
O=C(CCC1=N[N-]N=N1)N1CCC(C2=CC=CC(Cl)=C2)CC1	REAL300020149022	0	39	-1.0	-39.33	329.48	6.81	-32.52
O=C(CCC1=NN=N[N-]1)N1CCC(C2=CC=CC(Cl)=C2)CC1	REAL300020149022	1	39	-1.0	-39.39	329.54	6.82	-32.57
CC(C)OC1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1C(N)=O	REAL300020149023	0	40	-1.0	-45.29	333.34	1.48	-43.81
CC(C)OC1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1C(N)=O	REAL300020149023	1	40	-1.0	-45.37	333.40	1.49	-43.88
O=C(CCC1=N[N-]N=N1)N1CCNC(C2=CC=CC=C2Cl)C1	REAL300020149024	0	38	-1.0	-41.61	323.38	3.66	-37.95
O=C(CCC1=NN=N[N-]1)N1CCNC(C2=CC=CC=C2Cl)C1	REAL300020149024	1	38	-1.0	-41.62	323.43	3.68	-37.94
O=C(CCC1=N[N-]N=N1)NCC1=CC=C(OC2=CC=CC3=CC=CC=C32)C=C1	REAL300020149025	0	46	-1.0	-42.34	391.82	7.85	-34.49
O=C(CCC1=NN=N[N-]1)NCC1=CC=C(OC2=CC=CC3=CC=CC=C32)C=C1	REAL300020149025	1	46	-1.0	-42.33	391.88	7.86	-34.47
O=C(CCC1=NN=N[N-]1)NCC1=CC=CC=C1CN1C=NC=N1	REAL300020149026	0	38	-1.0	-46.39	327.90	6.05	-40.34
O=C(CCC1=N[N-]N=N1)NCC1=CC=CC=C1CN1C=NC=N1	REAL300020149026	1	38	-1.0	-46.43	327.84	6.03	-40.40
CC(C)(C)OC(=O)NCC1(C)CCN(C(=O)CCC2=N[N-]N=N2)C1	REAL300020149027	0	49	-1.0	-42.71	383.95	3.27	-39.44
CC(C)(C)OC(=O)NCC1(C)CCN(C(=O)CCC2=NN=N[N-]2)C1	REAL300020149027	1	49	-1.0	-42.75	384.01	3.29	-39.46
NC(=O)C1=C(N)N(C2CCN(C(=O)CCC3=N[N-]N=N3)CC2)C=N1	REAL300020149028	0	42	-1.0	-44.94	343.66	0.72	-44.22
NC(=O)C1=C(N)N(C2CCN(C(=O)CCC3=NN=N[N-]3)CC2)C=N1	REAL300020149028	1	42	-1.0	-44.94	343.72	0.74	-44.20
O=C(CCC1=N[N-]N=N1)NC1=CC=C(Cl)C(F)=C1N1CCOCC1	REAL300020149029	0	39	-1.0	-37.11	336.15	2.46	-34.65
O=C(CCC1=NN=N[N-]1)NC1=CC=C(Cl)C(F)=C1N1CCOCC1	REAL300020149029	1	39	-1.0	-37.15	336.21	2.47	-34.68
O=C(CCC1=N[N-]N=N1)NNC(=O)NC1=CC=C(Br)C=C1	REAL300020149030	0	32	-1.0	-41.16	303.82	1.57	-39.59
O=C(CCC1=NN=N[N-]1)NNC(=O)NC1=CC=C(Br)C=C1	REAL300020149030	1	32	-1.0	-41.19	303.88	1.59	-39.60
O=C(CCC1=N[N-]N=N1)NNC(=O)NC1=CC(F)=CC(F)=C1	REAL300020149031	0	32	-1.0	-41.21	295.36	1.08	-40.13
O=C(CCC1=NN=N[N-]1)NNC(=O)NC1=CC(F)=CC(F)=C1	REAL300020149031	1	32	-1.0	-41.23	295.41	1.10	-40.13
O=C(CCC1=N[N-]N=N1)NNC(=O)NC1=CC=C(Cl)C=C1	REAL300020149032	0	32	-1.0	-41.20	299.26	1.47	-39.73
O=C(CCC1=NN=N[N-]1)NNC(=O)NC1=CC=C(Cl)C=C1	REAL300020149032	1	32	-1.0	-41.21	299.31	1.48	-39.73
O=C(CCC1=N[N-]N=N1)NNC(=O)NC1=CC=C(C2=CC=CC=C2)C=C1	REAL300020149033	0	42	-1.0	-43.36	356.99	4.33	-39.03
O=C(CCC1=NN=N[N-]1)NNC(=O)NC1=CC=C(C2=CC=CC=C2)C=C1	REAL300020149033	1	42	-1.0	-43.40	357.05	4.35	-39.05
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O=C(CCC1=NN=N[N-]1)NNC(=O)NC1=CC=C(Br)C=C1Cl	REAL300020149034	1	32	-1.0	-38.80	318.87	2.21	-36.59
O=C(CCC1=N[N-]N=N1)NNC(=O)NC1=CC=C(OC(F)F)C=C1	REAL300020149035	0	36	-1.0	-43.87	321.79	0.52	-43.35
O=C(CCC1=NN=N[N-]1)NNC(=O)NC1=CC=C(OC(F)F)C=C1	REAL300020149035	1	36	-1.0	-43.89	321.85	0.53	-43.36
CC1=CC=C(NC(=O)NNC(=O)CCC2=N[N-]N=N2)C(Cl)=C1	REAL300020149036	0	35	-1.0	-40.46	318.92	2.25	-38.21
CC1=CC=C(NC(=O)NNC(=O)CCC2=NN=N[N-]2)C(Cl)=C1	REAL300020149036	1	35	-1.0	-40.49	318.98	2.26	-38.23
COC1=CC=C(NC(=O)NNC(=O)CCC2=N[N-]N=N2)C=C1	REAL300020149037	0	36	-1.0	-43.19	312.04	0.24	-42.95
COC1=CC=C(NC(=O)NNC(=O)CCC2=NN=N[N-]2)C=C1	REAL300020149037	1	36	-1.0	-43.21	312.10	0.25	-42.96
CS(=O)(=O)C1=CC=C(NC(=O)NNC(=O)CCC2=N[N-]N=N2)C=C1	REAL300020149038	0	38	-1.0	-50.15	343.20	-1.53	-51.68
CS(=O)(=O)C1=CC=C(NC(=O)NNC(=O)CCC2=NN=N[N-]2)C=C1	REAL300020149038	1	38	-1.0	-50.16	343.26	-1.52	-51.68
O=C(CCC1=N[N-]N=N1)NNC(=O)NC1=C(Cl)C=C(Cl)C=C1Cl	REAL300020149039	0	32	-1.0	-40.68	335.79	2.86	-37.82
O=C(CCC1=NN=N[N-]1)NNC(=O)NC1=C(Cl)C=C(Cl)C=C1Cl	REAL300020149039	1	32	-1.0	-40.68	335.85	2.88	-37.80
COC1=CC(OC)=C(NC(=O)NNC(=O)CCC2=N[N-]N=N2)C=C1Cl	REAL300020149040	0	40	-1.0	-43.82	356.85	0.22	-43.60
COC1=CC(OC)=C(NC(=O)NNC(=O)CCC2=NN=N[N-]2)C=C1Cl	REAL300020149040	1	40	-1.0	-43.84	356.90	0.23	-43.61
COC1=CC(NC(=O)NNC(=O)CCC2=N[N-]N=N2)=C(OC)C=C1Cl	REAL300020149041	0	40	-1.0	-41.48	356.03	0.21	-41.27
COC1=CC(NC(=O)NNC(=O)CCC2=NN=N[N-]2)=C(OC)C=C1Cl	REAL300020149041	1	40	-1.0	-41.47	356.09	0.23	-41.24
O=C(CCC1=N[N-]N=N1)NNC(=O)NC1=CC=C(Cl)C=C1Cl	REAL300020149042	0	32	-1.0	-38.90	314.25	2.09	-36.81
O=C(CCC1=NN=N[N-]1)NNC(=O)NC1=CC=C(Cl)C=C1Cl	REAL300020149042	1	32	-1.0	-38.85	314.30	2.10	-36.75
O=C(CCC1=N[N-]N=N1)NNC(=O)NC1=CC=C2OCOC2=C1	REAL300020149043	0	35	-1.0	-45.91	308.90	-0.43	-46.34
O=C(CCC1=NN=N[N-]1)NNC(=O)NC1=CC=C2OCOC2=C1	REAL300020149043	1	35	-1.0	-45.91	308.96	-0.41	-46.32
COC1=CC=C(Cl)C(NC(=O)NNC(=O)CCC2=N[N-]N=N2)=C1	REAL300020149044	0	36	-1.0	-42.84	326.99	0.88	-41.96
COC1=CC=C(Cl)C(NC(=O)NNC(=O)CCC2=NN=N[N-]2)=C1	REAL300020149044	1	36	-1.0	-42.89	327.05	0.89	-42.00
O=C(CCC1=N[N-]N=N1)NCCOC1=CC=C(I)C=C1	REAL300020149045	0	33	-1.0	-40.45	315.26	3.41	-37.04
O=C(CCC1=NN=N[N-]1)NCCOC1=CC=C(I)C=C1	REAL300020149045	1	33	-1.0	-40.42	315.32	3.43	-36.99
CC(C)=CCN(CC1=CC=C(Cl)C=C1)C(=O)CCC1=N[N-]N=N1	REAL300020149046	0	42	-1.0	-40.81	364.43	8.24	-32.57
CC(C)=CCN(CC1=CC=C(Cl)C=C1)C(=O)CCC1=NN=N[N-]1	REAL300020149046	1	42	-1.0	-40.77	364.48	8.26	-32.51
CCN(CC1=CC=CC=C1Br)C(=O)CCC1=N[N-]N=N1	REAL300020149047	0	35	-1.0	-39.56	310.41	6.83	-32.73
CCN(CC1=CC=CC=C1Br)C(=O)CCC1=NN=N[N-]1	REAL300020149047	1	35	-1.0	-39.58	310.47	6.85	-32.73
O=C(CCC1=N[N-]N=N1)NC1(C2=CC=C(Cl)C(Cl)=C2)CC1	REAL300020149048	0	33	-1.0	-39.67	312.64	4.89	-34.78
O=C(CCC1=NN=N[N-]1)NC1(C2=CC=C(Cl)C(Cl)=C2)CC1	REAL300020149048	1	33	-1.0	-39.64	312.69	4.90	-34.74
O=C(CCC1=N[N-]N=N1)NC[C@H](O)C1=CC=CC(Br)=C1	REAL300020149049	0	33	-1.0	-40.78	307.84	1.01	-39.77
O=C(CCC1=NN=N[N-]1)NC[C@H](O)C1=CC=CC(Br)=C1	REAL300020149049	1	33	-1.0	-40.72	307.90	1.02	-39.70
O=C(CCC1=NN=N[N-]1)NC1=NC2=CC(Cl)=CC=C2C=C1	REAL300020149050	0	31	-1.0	-48.72	290.81	4.94	-43.78
O=C(CCC1=N[N-]N=N1)NC1=NC2=CC(Cl)=CC=C2C=C1	REAL300020149050	1	31	-1.0	-48.74	290.75	4.92	-43.82
O=C(CCC1=N[N-]N=N1)NC1=CC=C(OCC(F)(F)F)C(F)=C1	REAL300020149051	0	33	-1.0	-40.61	308.66	3.34	-37.27
O=C(CCC1=NN=N[N-]1)NC1=CC=C(OCC(F)(F)F)C(F)=C1	REAL300020149051	1	33	-1.0	-40.64	308.71	3.35	-37.29
O=C(CCC1=N[N-]N=N1)NC1=CC=C(OCC(F)(F)F)C(Cl)=C1	REAL300020149052	0	33	-1.0	-40.05	318.46	3.82	-36.23
O=C(CCC1=NN=N[N-]1)NC1=CC=C(OCC(F)(F)F)C(Cl)=C1	REAL300020149052	1	33	-1.0	-40.03	318.51	3.83	-36.20
COCCCN(C(=O)CCC1=N[N-]N=N1)C1CC2CC1C1CCCC21	REAL300020149053	0	53	-1.0	-41.18	358.54	5.82	-35.36
COCCCN(C(=O)CCC1=NN=N[N-]1)C1CC2CC1C1CCCC21	REAL300020149053	1	53	-1.0	-41.15	358.59	5.83	-35.32
CC1=C(NC(=O)CCC2=N[N-]N=N2)C=CC=C1N1C(=O)CCNC1=O	REAL300020149054	0	41	-1.0	-50.57	345.04	2.83	-47.74
CC1=C(NC(=O)CCC2=NN=N[N-]2)C=CC=C1N1C(=O)CCNC1=O	REAL300020149054	1	41	-1.0	-50.61	345.09	2.85	-47.76
CS(=O)(=O)C1=CC=C(F)C(CNC(=O)CCC2=N[N-]N=N2)=C1	REAL300020149055	0	35	-1.0	-47.48	323.97	0.23	-47.25
CS(=O)(=O)C1=CC=C(F)C(CNC(=O)CCC2=NN=N[N-]2)=C1	REAL300020149055	1	35	-1.0	-47.51	324.02	0.25	-47.26
COC(OC)C(NC(=O)CCC1=N[N-]N=N1)C1=CC=CC=C1	REAL300020149056	0	40	-1.0	-42.74	331.32	3.23	-39.51
COC(OC)C(NC(=O)CCC1=NN=N[N-]1)C1=CC=CC=C1	REAL300020149056	1	40	-1.0	-42.71	331.38	3.25	-39.46
O=C(CCC1=N[N-]N=N1)N1C2C=C(C3=CC=CC=C3)CC1CC2	REAL300020149057	0	41	-1.0	-41.23	335.02	7.59	-33.64
O=C(CCC1=NN=N[N-]1)N1C2C=C(C3=CC=CC=C3)CC1CC2	REAL300020149057	1	41	-1.0	-41.24	335.07	7.60	-33.64
CS(=O)(=O)C1CCCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300020149058	0	38	-1.0	-52.62	308.68	1.23	-51.39
CS(=O)(=O)C1CCCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020149058	1	38	-1.0	-52.60	308.74	1.24	-51.36
CC1=CC=C(C2=NOC(CNC(=O)CCC3=N[N-]N=N3)C2)C=C1	REAL300020149059	0	40	-1.0	-44.86	343.40	3.72	-41.14
CC1=CC=C(C2=NOC(CNC(=O)CCC3=NN=N[N-]3)C2)C=C1	REAL300020149059	1	40	-1.0	-44.85	343.46	3.74	-41.11
CS(=O)(=O)N1CCC(N(CC(F)F)C(=O)CCC2=N[N-]N=N2)CC1	REAL300020149060	0	43	-1.0	-47.19	352.96	1.67	-45.52
CS(=O)(=O)N1CCC(N(CC(F)F)C(=O)CCC2=NN=N[N-]2)CC1	REAL300020149060	1	43	-1.0	-47.15	353.02	1.69	-45.46
O=C(CCC1=N[N-]N=N1)NC1=CC=C(N2CCCCC2)C=C1	REAL300020149061	0	41	-1.0	-39.99	324.51	3.85	-36.14
O=C(CCC1=NN=N[N-]1)NC1=CC=C(N2CCCCC2)C=C1	REAL300020149061	1	41	-1.0	-40.03	324.57	3.87	-36.16
CN(C)C(=O)NC1=CC=C(CNC(=O)CCC2=N[N-]N=N2)C=C1	REAL300020149062	0	41	-1.0	-46.12	344.01	2.50	-43.62
CN(C)C(=O)NC1=CC=C(CNC(=O)CCC2=NN=N[N-]2)C=C1	REAL300020149062	1	41	-1.0	-46.14	344.06	2.51	-43.63
CC1=CN(C2=CC=C(Cl)C=C2)N=C1NC(=O)CCC1=NN=N[N-]1	REAL300020149063	0	36	-1.0	-47.56	329.92	6.16	-41.40
CC1=CN(C2=CC=C(Cl)C=C2)N=C1NC(=O)CCC1=N[N-]N=N1	REAL300020149063	1	36	-1.0	-47.56	329.86	6.15	-41.41
O=C(CCC1=NN=N[N-]1)N(CCO)CC1=CC=CN=C1Cl	REAL300020149064	0	35	-1.0	-42.59	305.44	1.01	-41.58
O=C(CCC1=N[N-]N=N1)N(CCO)CC1=CC=CN=C1Cl	REAL300020149064	1	35	-1.0	-42.62	305.38	1.00	-41.62
O=C(CCC1=N[N-]N=N1)NCC1=C(Br)SC=C1	REAL300020149065	0	26	-1.0	-39.04	267.86	2.28	-36.76
O=C(CCC1=NN=N[N-]1)NCC1=C(Br)SC=C1	REAL300020149065	1	26	-1.0	-39.05	267.92	2.29	-36.76
CCC1=NC2=CC(CNC(=O)CCC3=N[N-]N=N3)=CC=C2N1C1CC1	REAL300020149066	0	45	-1.0	-45.58	374.21	5.81	-39.77
CCC1=NC2=CC(CNC(=O)CCC3=NN=N[N-]3)=CC=C2N1C1CC1	REAL300020149066	1	45	-1.0	-45.60	374.26	5.83	-39.77
CC(C)(C)OC(=O)N1CCCC2(CCN(C(=O)CCC3=N[N-]N=N3)C2)C1	REAL300020149067	0	53	-1.0	-51.37	402.43	5.92	-45.45
CC(C)(C)OC(=O)N1CCCC2(CCN(C(=O)CCC3=NN=N[N-]3)C2)C1	REAL300020149067	1	53	-1.0	-51.38	402.49	5.94	-45.44
O=C(CCC1=N[N-]N=N1)NC1=CC=C(OC2CCCCC2O)C=C1	REAL300020149068	0	44	-1.0	-43.01	353.83	2.45	-40.56
O=C(CCC1=NN=N[N-]1)NC1=CC=C(OC2CCCCC2O)C=C1	REAL300020149068	1	44	-1.0	-43.01	353.88	2.47	-40.54
O=C(CCC1=N[N-]N=N1)NC1COC2=CC(F)=C(Br)C=C21	REAL300020149069	0	31	-1.0	-37.56	298.36	2.56	-35.00
O=C(CCC1=NN=N[N-]1)NC1COC2=CC(F)=C(Br)C=C21	REAL300020149069	1	31	-1.0	-37.58	298.42	2.58	-35.00
CN1C(=O)N(C)C2=CC(N3CCCCC3)=C(NC(=O)CCC3=N[N-]N=N3)C=C21	REAL300020149070	0	51	-1.0	-42.90	406.97	5.38	-37.52
CN1C(=O)N(C)C2=CC(N3CCCCC3)=C(NC(=O)CCC3=NN=N[N-]3)C=C21	REAL300020149070	1	51	-1.0	-42.94	407.03	5.40	-37.54
O=C(CCC1=N[N-]N=N1)NCCS(=O)(=O)CCC1=CC=CC=C1	REAL300020149071	0	41	-1.0	-50.91	364.18	1.93	-48.98
O=C(CCC1=NN=N[N-]1)NCCS(=O)(=O)CCC1=CC=CC=C1	REAL300020149071	1	41	-1.0	-50.91	364.24	1.94	-48.97
COC(=O)C1(NC(=O)CCC2=N[N-]N=N2)CCS(=O)(=O)CC1	REAL300020149072	0	38	-1.0	-46.91	317.17	0.24	-46.67
COC(=O)C1(NC(=O)CCC2=NN=N[N-]2)CCS(=O)(=O)CC1	REAL300020149072	1	38	-1.0	-46.92	317.23	0.25	-46.67
COC1=CC=C2CN(C(=O)CCC3=N[N-]N=N3)CCOC2=C1	REAL300020149073	0	38	-1.0	-40.54	311.96	3.26	-37.28
COC1=CC=C2CN(C(=O)CCC3=NN=N[N-]3)CCOC2=C1	REAL300020149073	1	38	-1.0	-40.55	312.02	3.28	-37.27
O=C(CCC1=N[N-]N=N1)N1CCOC2=CC=C(Br)C=C2C1	REAL300020149074	0	34	-1.0	-39.38	303.78	4.58	-34.80
O=C(CCC1=NN=N[N-]1)N1CCOC2=CC=C(Br)C=C2C1	REAL300020149074	1	34	-1.0	-39.34	303.84	4.59	-34.75
O=C(CCC1=NN=N[N-]1)NC1=NC=C(C2=CC=CC=C2F)S1	REAL300020149075	0	32	-1.0	-45.76	305.17	5.02	-40.74
O=C(CCC1=N[N-]N=N1)NC1=NC=C(C2=CC=CC=C2F)S1	REAL300020149075	1	32	-1.0	-45.74	305.11	5.00	-40.74
O=C(CCC1=N[N-]N=N1)NC(CN1C=CC=CC1=O)C1=CC=CC=C1	REAL300020149076	0	42	-1.0	-48.44	356.13	6.29	-42.15
O=C(CCC1=NN=N[N-]1)NC(CN1C=CC=CC1=O)C1=CC=CC=C1	REAL300020149076	1	42	-1.0	-48.41	356.19	6.31	-42.10
O=C(CCC1=N[N-]N=N1)NC1=CC=C(F)C(N2C(=O)CNC2=O)=C1	REAL300020149077	0	35	-1.0	-48.59	319.48	0.80	-47.79
O=C(CCC1=NN=N[N-]1)NC1=CC=C(F)C(N2C(=O)CNC2=O)=C1	REAL300020149077	1	35	-1.0	-48.58	319.54	0.82	-47.76
O=C(CCC1=N[N-]N=N1)NCC1CC(C2=CC=C3OCCC3=C2)=NO1	REAL300020149078	0	42	-1.0	-46.07	357.95	2.90	-43.17
O=C(CCC1=NN=N[N-]1)NCC1CC(C2=CC=C3OCCC3=C2)=NO1	REAL300020149078	1	42	-1.0	-46.10	358.01	2.92	-43.18
CC(C)(COCC1=CC=CC=C1)NC(=O)CCC1=N[N-]N=N1	REAL300020149079	0	42	-1.0	-40.55	344.86	4.19	-36.36
CC(C)(COCC1=CC=CC=C1)NC(=O)CCC1=NN=N[N-]1	REAL300020149079	1	42	-1.0	-40.56	344.92	4.21	-36.35
O=C(CCC1=NN=N[N-]1)NC1=CN=C(N2CCOCC2)C(Br)=C1	REAL300020149080	0	38	-1.0	-40.01	337.31	1.57	-38.44
O=C(CCC1=N[N-]N=N1)NC1=CN=C(N2CCOCC2)C(Br)=C1	REAL300020149080	1	38	-1.0	-39.97	337.26	1.55	-38.42
CC(C)(C)OC(=O)NCC(NC(=O)CCC1=N[N-]N=N1)C(C)(C)C	REAL300020149081	0	51	-1.0	-40.36	389.95	2.34	-38.02
CC(C)(C)OC(=O)NCC(NC(=O)CCC1=NN=N[N-]1)C(C)(C)C	REAL300020149081	1	51	-1.0	-40.38	390.01	2.35	-38.03
COC1=CC=C(C2=CC=C(C)C(NC(=O)CCC3=NN=N[N-]3)=C2)C=N1	REAL300020149082	0	42	-1.0	-44.83	350.72	3.56	-41.27
COC1=CC=C(C2=CC=C(C)C(NC(=O)CCC3=N[N-]N=N3)=C2)C=N1	REAL300020149082	1	42	-1.0	-44.83	350.66	3.55	-41.28
O=C(CCC1=N[N-]N=N1)NC1=CC=C(C2=CC=CO2)C=C1F	REAL300020149083	0	33	-1.0	-40.19	297.09	4.39	-35.80
O=C(CCC1=NN=N[N-]1)NC1=CC=C(C2=CC=CO2)C=C1F	REAL300020149083	1	33	-1.0	-40.18	297.15	4.40	-35.78
CN1[N-]C(C2CCN(C(=O)CCC3=N[N-]N=N3)CC2)=NC1=[NH2+]	REAL300020149084	0	41	0.0	-60.23	330.16	4.37	-55.86
CN1[N-]C(C2CCN(C(=O)CCC3=NN=N[N-]3)CC2)=NC1=[NH2+]	REAL300020149084	1	41	0.0	-60.22	330.22	4.38	-55.84
CN1NC(C2CCN(C(=O)CCC3=N[N-]N=N3)CC2)=NC1=[NH2+]	REAL300020149084	1	41	0.0	-60.23	330.16	4.37	-55.86
CN1NC(C2CCN(C(=O)CCC3=NN=N[N-]3)CC2)=NC1=[NH2+]	REAL300020149084	1	41	0.0	-60.22	330.22	4.38	-55.84
O=C(CCC1=N[N-]N=N1)N[C@H]1C[C@H](C2=CC=C(Cl)C(Cl)=C2)C1	REAL300020149085	0	36	-1.0	-40.49	333.24	5.62	-34.87
O=C(CCC1=NN=N[N-]1)N[C@H]1C[C@H](C2=CC=C(Cl)C(Cl)=C2)C1	REAL300020149085	1	36	-1.0	-40.47	333.30	5.64	-34.83
O=C(CCC1=N[N-]N=N1)N1CCC(C2=CC=CC(Br)=C2)CC1	REAL300020149086	0	39	-1.0	-39.33	334.05	6.91	-32.42
O=C(CCC1=NN=N[N-]1)N1CCC(C2=CC=CC(Br)=C2)CC1	REAL300020149086	1	39	-1.0	-39.33	334.10	6.92	-32.41
CC1(C2=CC=CC(Cl)=C2)CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300020149087	0	42	-1.0	-39.78	338.52	6.88	-32.90
CC1(C2=CC=CC(Cl)=C2)CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020149087	1	42	-1.0	-39.81	338.58	6.90	-32.91
COC1=CC(N2CCN(C(=O)CCC3=N[N-]N=N3)CC2)=CC=C1F	REAL300020149088	0	42	-1.0	-41.54	339.57	3.14	-38.40
COC1=CC(N2CCN(C(=O)CCC3=NN=N[N-]3)CC2)=CC=C1F	REAL300020149088	1	42	-1.0	-41.55	339.63	3.15	-38.40
COC1=CC(OC)=CC(C2(F)CCN(C(=O)CCC3=N[N-]N=N3)CC2)=C1	REAL300020149089	0	47	-1.0	-42.01	375.01	4.85	-37.16
COC1=CC(OC)=CC(C2(F)CCN(C(=O)CCC3=NN=N[N-]3)CC2)=C1	REAL300020149089	1	47	-1.0	-42.05	375.06	4.86	-37.19
O=C(CCC1=NN=N[N-]1)NC1=CC=C(C2=CC=C(Cl)S2)N=C1	REAL300020149090	0	32	-1.0	-39.04	313.16	4.17	-34.87
O=C(CCC1=N[N-]N=N1)NC1=CC=C(C2=CC=C(Cl)S2)N=C1	REAL300020149090	1	32	-1.0	-39.04	313.10	4.15	-34.89
CC1(C)CN(C(=O)CCC2=N[N-]N=N2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1	REAL300020149091	0	47	-1.0	-38.09	333.38	5.40	-32.69
CC1(C)CN(C(=O)CCC2=NN=N[N-]2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1	REAL300020149091	1	47	-1.0	-38.08	333.43	5.41	-32.67
CC(C)(C)OC(=O)NCCC1CCCN(C(=O)CCC2=N[N-]N=N2)C1	REAL300020149092	0	52	-1.0	-46.69	401.25	3.84	-42.85
CC(C)(C)OC(=O)NCCC1CCCN(C(=O)CCC2=NN=N[N-]2)C1	REAL300020149092	1	52	-1.0	-46.67	401.31	3.85	-42.82
CCCCNS(=O)(=O)C1=CC=C(C)C(NC(=O)CCC2=N[N-]N=N2)=C1	REAL300020149093	0	46	-1.0	-47.07	389.95	1.98	-45.09
CCCCNS(=O)(=O)C1=CC=C(C)C(NC(=O)CCC2=NN=N[N-]2)=C1	REAL300020149093	1	46	-1.0	-47.06	390.00	2.00	-45.06
COC1=CC=C(CN(CC2CC2)C(=O)CCC2=N[N-]N=N2)C(OC)=C1	REAL300020149094	0	47	-1.0	-41.33	379.03	6.04	-35.29
COC1=CC=C(CN(CC2CC2)C(=O)CCC2=NN=N[N-]2)C(OC)=C1	REAL300020149094	1	47	-1.0	-41.34	379.08	6.06	-35.28
COC1=CC(NC(=O)CCC2=N[N-]N=N2)=C(OC)C(C)=C1OC	REAL300020149095	0	41	-1.0	-40.11	342.44	2.14	-37.97
COC1=CC(NC(=O)CCC2=NN=N[N-]2)=C(OC)C(C)=C1OC	REAL300020149095	1	41	-1.0	-40.11	342.50	2.15	-37.96
CC(CCNS(=O)(=O)C1=CC=CC=C1)NC(=O)CCC1=N[N-]N=N1	REAL300020149096	0	43	-1.0	-46.16	375.08	0.81	-45.35
CC(CCNS(=O)(=O)C1=CC=CC=C1)NC(=O)CCC1=NN=N[N-]1	REAL300020149096	1	43	-1.0	-46.14	375.14	0.82	-45.32
C[NH+](C)CC(NC(=O)CCC1=N[N-]N=N1)C1=CC=C(Cl)C=C1	REAL300020149097	0	41	0.0	-57.76	346.17	5.34	-52.42
C[NH+](C)CC(NC(=O)CCC1=NN=N[N-]1)C1=CC=C(Cl)C=C1	REAL300020149097	1	41	0.0	-57.77	346.23	5.35	-52.42
CC(CNC(=O)CCC1=N[N-]N=N1)N(C)C(=O)OC(C)(C)C	REAL300020149098	0	45	-1.0	-41.27	359.15	3.00	-38.27
CC(CNC(=O)CCC1=NN=N[N-]1)N(C)C(=O)OC(C)(C)C	REAL300020149098	1	45	-1.0	-41.21	359.21	3.01	-38.20
N#CC1=CC(NC(=O)CCC2=N[N-]N=N2)=CC=C1OC(F)(F)F	REAL300020149099	0	31	-1.0	-42.25	298.01	2.79	-39.46
N#CC1=CC(NC(=O)CCC2=NN=N[N-]2)=CC=C1OC(F)(F)F	REAL300020149099	1	31	-1.0	-42.29	298.07	2.80	-39.49
CC(C)(C)OC(=O)N1CCC(NC(=O)CCC2=N[N-]N=N2)C(C)(C)C1	REAL300020149100	0	52	-1.0	-40.50	394.27	4.77	-35.73
CC(C)(C)OC(=O)N1CCC(NC(=O)CCC2=NN=N[N-]2)C(C)(C)C1	REAL300020149100	1	52	-1.0	-40.50	394.33	4.78	-35.72
NC(=O)C(=O)NC1=CC=CC(NC(=O)CCC2=N[N-]N=N2)=C1	REAL300020149101	0	34	-1.0	-43.45	303.24	-2.38	-45.83
NC(=O)C(=O)NC1=CC=CC(NC(=O)CCC2=NN=N[N-]2)=C1	REAL300020149101	1	34	-1.0	-43.46	303.30	-2.36	-45.82
CN(C)C1=CC=C(NC(=O)NNC(=O)CCC2=N[N-]N=N2)C=C1	REAL300020149102	0	40	-1.0	-43.03	333.29	1.34	-41.69
CN(C)C1=CC=C(NC(=O)NNC(=O)CCC2=NN=N[N-]2)C=C1	REAL300020149102	1	40	-1.0	-43.00	333.35	1.35	-41.65
CNC(=O)CNC(=O)C1=CC=CC(NC(=O)CCC2=N[N-]N=N2)=C1	REAL300020149103	0	40	-1.0	-51.55	347.22	-0.66	-52.21
CNC(=O)CNC(=O)C1=CC=CC(NC(=O)CCC2=NN=N[N-]2)=C1	REAL300020149103	1	40	-1.0	-51.58	347.28	-0.64	-52.22
O=C(CCC1=N[N-]N=N1)NCC1=CC=NC=C1OCC(F)(F)F	REAL300020149104	0	35	-1.0	-43.89	322.60	1.62	-42.27
O=C(CCC1=NN=N[N-]1)NCC1=CC=NC=C1OCC(F)(F)F	REAL300020149104	1	35	-1.0	-43.89	322.66	1.64	-42.25
O=C(CCC1=N[N-]N=N1)NC(CO)C1=CC=C(Cl)C=C1C(F)(F)F	REAL300020149105	0	36	-1.0	-40.08	329.29	1.52	-38.56
O=C(CCC1=NN=N[N-]1)NC(CO)C1=CC=C(Cl)C=C1C(F)(F)F	REAL300020149105	1	36	-1.0	-40.08	329.34	1.54	-38.54
O=C(CCC1=N[N-]N=N1)N1CCC(N2CCC3=CC=CC=C32)CC1	REAL300020149106	0	45	-1.0	-40.69	345.89	5.37	-35.32
O=C(CCC1=NN=N[N-]1)N1CCC(N2CCC3=CC=CC=C32)CC1	REAL300020149106	1	45	-1.0	-40.70	345.95	5.38	-35.32
N#CC1(C2=CC=CC=N2)CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020149107	0	39	-1.0	-41.99	323.91	4.51	-37.48
N#CC1(C2=CC=CC=N2)CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300020149107	1	39	-1.0	-42.01	323.86	4.49	-37.52
O=C(CCC1=N[N-]N=N1)N1CCC(C2=CC=C(Br)C=C2)CC1	REAL300020149108	0	39	-1.0	-39.95	334.05	6.91	-33.04
O=C(CCC1=NN=N[N-]1)N1CCC(C2=CC=C(Br)C=C2)CC1	REAL300020149108	1	39	-1.0	-39.96	334.11	6.93	-33.03
O=C(CCC1=N[N-]N=N1)NCC1=CC=C(I)C(Cl)=C1	REAL300020149109	0	29	-1.0	-38.49	299.77	4.23	-34.26
O=C(CCC1=NN=N[N-]1)NCC1=CC=C(I)C(Cl)=C1	REAL300020149109	1	29	-1.0	-38.51	299.83	4.24	-34.27
O=C(CCC1=N[N-]N=N1)N1CCC(S(=O)(=O)N2CCCC2)CC1	REAL300020149110	0	44	-1.0	-47.15	354.22	1.98	-45.17
O=C(CCC1=NN=N[N-]1)N1CCC(S(=O)(=O)N2CCCC2)CC1	REAL300020149110	1	44	-1.0	-47.18	354.28	1.99	-45.19
CC(=O)NCCN(CC1=CC=C(Cl)C=C1Cl)C(=O)CCC1=N[N-]N=N1	REAL300020149111	0	42	-1.0	-46.40	383.64	5.59	-40.81
CC(=O)NCCN(CC1=CC=C(Cl)C=C1Cl)C(=O)CCC1=NN=N[N-]1	REAL300020149111	1	42	-1.0	-46.44	383.70	5.61	-40.83
O=C(CCC1=N[N-]N=N1)NNC1=C(Br)C=CC=C1Br	REAL300020149112	0	28	-1.0	-39.48	285.04	3.82	-35.66
O=C(CCC1=NN=N[N-]1)NNC1=C(Br)C=CC=C1Br	REAL300020149112	1	28	-1.0	-39.54	285.10	3.83	-35.71
CCOC(=O)CNC(=O)C1COCCN1C(=O)CCC1=N[N-]N=N1	REAL300020149113	0	43	-1.0	-44.96	356.78	1.58	-43.38
CCOC(=O)CNC(=O)C1COCCN1C(=O)CCC1=NN=N[N-]1	REAL300020149113	1	43	-1.0	-44.96	356.84	1.60	-43.36
CC(C)C1=NOC(CC2=CC=C(NC(=O)CCC3=N[N-]N=N3)C=C2)=N1	REAL300020149114	0	43	-1.0	-43.58	368.45	3.68	-39.90
CC(C)C1=NOC(CC2=CC=C(NC(=O)CCC3=NN=N[N-]3)C=C2)=N1	REAL300020149114	1	43	-1.0	-43.59	368.51	3.70	-39.89
CC1=C(NC(=O)CCC2=N[N-]N=N2)N=NN1CC1=CC=CC=C1F	REAL300020149115	0	38	-1.0	-55.25	336.45	4.64	-50.61
CC1=C(NC(=O)CCC2=NN=N[N-]2)N=NN1CC1=CC=CC=C1F	REAL300020149115	1	38	-1.0	-55.24	336.50	4.66	-50.58
CC1=C(NC(=O)CCC2=N[N-]N=N2)N=NN1CCOC1=CC=C(F)C=C1	REAL300020149116	0	42	-1.0	-50.39	367.38	4.27	-46.12
CC1=C(NC(=O)CCC2=NN=N[N-]2)N=NN1CCOC1=CC=C(F)C=C1	REAL300020149116	1	42	-1.0	-50.39	367.43	4.29	-46.10
CN1C2=CC=C(CNC(=O)CCC3=N[N-]N=N3)C=C2N=C1C1CC1	REAL300020149117	0	42	-1.0	-46.15	356.92	5.38	-40.77
CN1C2=CC=C(CNC(=O)CCC3=NN=N[N-]3)C=C2N=C1C1CC1	REAL300020149117	1	42	-1.0	-46.17	356.98	5.39	-40.78
CC1=NC2=CC(CNC(=O)CCC3=N[N-]N=N3)=CC=C2N1C1CC1	REAL300020149118	0	42	-1.0	-45.78	357.33	5.39	-40.39
CC1=NC2=CC(CNC(=O)CCC3=NN=N[N-]3)=CC=C2N1C1CC1	REAL300020149118	1	42	-1.0	-45.76	357.39	5.40	-40.36
O=C(CCC1=N[N-]N=N1)NC1=CC=C(OC(F)F)C=C1F	REAL300020149119	0	30	-1.0	-40.60	275.87	2.26	-38.34
O=C(CCC1=NN=N[N-]1)NC1=CC=C(OC(F)F)C=C1F	REAL300020149119	1	30	-1.0	-40.61	275.92	2.28	-38.33
CCCCN(CC1=CC=CC=C1O)C(=O)CCC1=N[N-]N=N1	REAL300020149120	0	42	-1.0	-41.77	342.55	4.52	-37.25
CCCCN(CC1=CC=CC=C1O)C(=O)CCC1=NN=N[N-]1	REAL300020149120	1	42	-1.0	-41.78	342.61	4.54	-37.24
CNC(=O)COC1=CC=C(NC(=O)CCC2=N[N-]N=N2)C(C)=C1	REAL300020149121	0	40	-1.0	-46.76	339.32	2.27	-44.49
CNC(=O)COC1=CC=C(NC(=O)CCC2=NN=N[N-]2)C(C)=C1	REAL300020149121	1	40	-1.0	-46.80	339.38	2.29	-44.51
O=C(CCC1=N[N-]N=N1)N1CCC[C@H](C[NH+]2CCOCC2)C1	REAL300020149122	0	45	-1.0	-41.05	343.66	2.15	-38.90
O=C(CCC1=NN=N[N-]1)N1CCC[C@H](C[NH+]2CCOCC2)C1	REAL300020149122	1	45	-1.0	-41.08	343.71	2.17	-38.91
O=C(CCC1=N[N-]N=N1)N1CCC[C@H](CN2CCOCC2)C1	REAL300020149122	1	45	-1.0	-41.05	343.66	2.15	-38.90
O=C(CCC1=NN=N[N-]1)N1CCC[C@H](CN2CCOCC2)C1	REAL300020149122	1	45	-1.0	-41.08	343.71	2.17	-38.91
CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)CCC2=N[N-]N=N2)C[C@H]1C1=CC=CC=C1	REAL300020149123	0	53	-1.0	-42.87	423.53	5.40	-37.47
CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)CCC2=NN=N[N-]2)C[C@H]1C1=CC=CC=C1	REAL300020149123	1	53	-1.0	-42.89	423.59	5.41	-37.48
O=C(CCC1=N[N-]N=N1)NC1=CC=CC(OCCC2=CC=CC=C2)=C1	REAL300020149124	0	43	-1.0	-43.42	364.26	6.63	-36.79
O=C(CCC1=NN=N[N-]1)NC1=CC=CC(OCCC2=CC=CC=C2)=C1	REAL300020149124	1	43	-1.0	-43.42	364.31	6.64	-36.78
CCC1=CC=C(C2CN(C(=O)CCC3=N[N-]N=N3)CCN2)C=C1	REAL300020149125	0	44	-1.0	-40.18	351.31	4.38	-35.80
CCC1=CC=C(C2CN(C(=O)CCC3=NN=N[N-]3)CCN2)C=C1	REAL300020149125	1	44	-1.0	-40.13	351.36	4.40	-35.73
CC1CCCN(C2=CC=C(CNC(=O)CCC3=N[N-]N=N3)C=C2Cl)C1	REAL300020149126	0	47	-1.0	-39.16	385.15	5.19	-33.97
CC1CCCN(C2=CC=C(CNC(=O)CCC3=NN=N[N-]3)C=C2Cl)C1	REAL300020149126	1	47	-1.0	-39.16	385.20	5.20	-33.96
O=C(CCC1=N[N-]N=N1)NCC1CCC2(CCOCC2)C1O	REAL300020149127	0	44	-1.0	-40.33	338.24	-0.41	-40.74
O=C(CCC1=NN=N[N-]1)NCC1CCC2(CCOCC2)C1O	REAL300020149127	1	44	-1.0	-40.37	338.30	-0.40	-40.77
CC1=CC=C(C(O)C2=CC=CC=N2)C=C1NC(=O)CCC1=N[N-]N=N1	REAL300020149128	0	42	-1.0	-42.94	353.85	2.92	-40.02
CC1=CC=C(C(O)C2=CC=CC=N2)C=C1NC(=O)CCC1=NN=N[N-]1	REAL300020149128	1	42	-1.0	-42.93	353.91	2.94	-39.99
COC(=O)C1=C(F)C=CC=C1NNC(=O)CCC1=N[N-]N=N1	REAL300020149129	0	34	-1.0	-44.91	309.12	2.99	-41.92
COC(=O)C1=C(F)C=CC=C1NNC(=O)CCC1=NN=N[N-]1	REAL300020149129	1	34	-1.0	-44.94	309.17	3.01	-41.93
O=C(CCC1=N[N-]N=N1)NC(C1=CC=C(F)C(Cl)=C1)C(F)(F)F	REAL300020149130	0	32	-1.0	-39.84	312.18	4.42	-35.42
O=C(CCC1=NN=N[N-]1)NC(C1=CC=C(F)C(Cl)=C1)C(F)(F)F	REAL300020149130	1	32	-1.0	-39.84	312.24	4.44	-35.40
COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)CCC1=N[N-]N=N1	REAL300020149131	0	49	0.0	-65.25	388.26	3.91	-61.34
COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)CCC1=NN=N[N-]1	REAL300020149131	1	49	0.0	-65.29	388.31	3.92	-61.37
O=C(CCC1=N[N-]N=N1)N1CCC(F)(C2=CC=CC=C2OC(F)(F)F)CC1	REAL300020149132	0	43	-1.0	-40.29	356.72	6.41	-33.88
O=C(CCC1=NN=N[N-]1)N1CCC(F)(C2=CC=CC=C2OC(F)(F)F)CC1	REAL300020149132	1	43	-1.0	-40.26	356.78	6.42	-33.84
CN1C(=O)COC2=CC(NC(=O)CCC3=N[N-]N=N3)=CC=C21	REAL300020149133	0	35	-1.0	-45.32	299.00	1.54	-43.78
CN1C(=O)COC2=CC(NC(=O)CCC3=NN=N[N-]3)=CC=C21	REAL300020149133	1	35	-1.0	-45.30	299.06	1.56	-43.74
CC(O)(CNC(=O)CCC1=N[N-]N=N1)C1=CC=CC=C1Br	REAL300020149134	0	36	-1.0	-41.14	311.91	1.29	-39.85
CC(O)(CNC(=O)CCC1=NN=N[N-]1)C1=CC=CC=C1Br	REAL300020149134	1	36	-1.0	-41.18	311.97	1.31	-39.87
O=C(CCC1=N[N-]N=N1)NCCCNS(=O)(=O)C1=CC=CC=C1Cl	REAL300020149135	0	40	-1.0	-47.11	357.05	-0.12	-47.23
O=C(CCC1=NN=N[N-]1)NCCCNS(=O)(=O)C1=CC=CC=C1Cl	REAL300020149135	1	40	-1.0	-47.12	357.11	-0.11	-47.23
O=C(CCC1=N[N-]N=N1)N1CCC(F)(C2=CC=CC=C2C(F)(F)F)CC1	REAL300020149136	0	42	-1.0	-41.28	340.62	6.82	-34.46
O=C(CCC1=NN=N[N-]1)N1CCC(F)(C2=CC=CC=C2C(F)(F)F)CC1	REAL300020149136	1	42	-1.0	-41.32	340.68	6.83	-34.49
CN(CC1=CN(C2=CC=CC(Br)=C2)N=N1)C(=O)CCC1=N[N-]N=N1	REAL300020149137	0	38	-1.0	-42.15	349.89	5.27	-36.88
CN(CC1=CN(C2=CC=CC(Br)=C2)N=N1)C(=O)CCC1=NN=N[N-]1	REAL300020149137	1	38	-1.0	-42.14	349.94	5.28	-36.86
O=C(CCC1=N[N-]N=N1)N[C@@H]1C[C@H]1C1=CC=CC(Br)=C1	REAL300020149138	0	33	-1.0	-40.42	306.49	4.73	-35.69
O=C(CCC1=NN=N[N-]1)N[C@@H]1C[C@H]1C1=CC=CC(Br)=C1	REAL300020149138	1	33	-1.0	-40.43	306.55	4.74	-35.69
O=C(CCC1=N[N-]N=N1)NC1=CC=CC(NCC(F)(F)F)=C1	REAL300020149139	0	34	-1.0	-42.08	307.59	2.61	-39.47
O=C(CCC1=NN=N[N-]1)NC1=CC=CC(NCC(F)(F)F)=C1	REAL300020149139	1	34	-1.0	-42.06	307.65	2.63	-39.43
CC1=CSC(OC2=CC=C(NC(=O)CCC3=N[N-]N=N3)C=C2F)=N1	REAL300020149140	0	36	-1.0	-41.89	335.64	2.04	-39.85
CC1=CSC(OC2=CC=C(NC(=O)CCC3=NN=N[N-]3)C=C2F)=N1	REAL300020149140	1	36	-1.0	-41.88	335.70	2.05	-39.83
O=C(CCC1=N[N-]N=N1)N1CCN(C(=O)NC2=CC=CC(C(F)(F)F)=C2)CC1	REAL300020149141	0	45	-1.0	-42.78	379.57	5.35	-37.43
O=C(CCC1=NN=N[N-]1)N1CCN(C(=O)NC2=CC=CC(C(F)(F)F)=C2)CC1	REAL300020149141	1	45	-1.0	-42.78	379.63	5.37	-37.41
O=C(CCC1=N[N-]N=N1)N1CCN(C(=O)C2=CC3=CC=CC=C3S2)CC1	REAL300020149142	0	43	-1.0	-42.62	363.47	5.87	-36.75
O=C(CCC1=NN=N[N-]1)N1CCN(C(=O)C2=CC3=CC=CC=C3S2)CC1	REAL300020149142	1	43	-1.0	-42.58	363.53	5.88	-36.70
CC1=CC=C(N2CCNC2=O)C=C1NC(=O)CCC1=N[N-]N=N1	REAL300020149143	0	39	-1.0	-44.59	321.45	2.20	-42.39
CC1=CC=C(N2CCNC2=O)C=C1NC(=O)CCC1=NN=N[N-]1	REAL300020149143	1	39	-1.0	-44.59	321.51	2.21	-42.38
CC1=C(NC(=O)CCC2=N[N-]N=N2)C=CC=C1N1CCNC1=O	REAL300020149144	0	39	-1.0	-46.82	326.20	2.81	-44.01
CC1=C(NC(=O)CCC2=NN=N[N-]2)C=CC=C1N1CCNC1=O	REAL300020149144	1	39	-1.0	-46.80	326.27	2.82	-43.98
CC1=CC(S(N)(=O)=O)=CC=C1CNC(=O)CCC1=N[N-]N=N1	REAL300020149145	0	37	-1.0	-45.62	328.90	-1.56	-47.18
CC1=CC(S(N)(=O)=O)=CC=C1CNC(=O)CCC1=NN=N[N-]1	REAL300020149145	1	37	-1.0	-45.63	328.96	-1.54	-47.17
CCOC(=O)C1(C(C)C)CCN(C(=O)CCC2=N[N-]N=N2)C1	REAL300020149146	0	44	-1.0	-40.53	341.04	4.92	-35.61
CCOC(=O)C1(C(C)C)CCN(C(=O)CCC2=NN=N[N-]2)C1	REAL300020149146	1	44	-1.0	-40.48	341.10	4.94	-35.54
O=C(CCC1=N[N-]N=N1)N1CCC(F)(C2=CC=C(Cl)C=C2)CC1	REAL300020149147	0	39	-1.0	-38.95	332.76	6.76	-32.19
O=C(CCC1=NN=N[N-]1)N1CCC(F)(C2=CC=C(Cl)C=C2)CC1	REAL300020149147	1	39	-1.0	-38.99	332.82	6.78	-32.21
CCOC1=CC=CC([C@@H]2C[C@H]2NC(=O)CCC2=N[N-]N=N2)=C1	REAL300020149148	0	40	-1.0	-42.14	336.55	4.34	-37.80
CCOC1=CC=CC([C@@H]2C[C@H]2NC(=O)CCC2=NN=N[N-]2)=C1	REAL300020149148	1	40	-1.0	-42.20	336.61	4.35	-37.85
O=C(CCC1=N[N-]N=N1)NC1=CC=C(Cl)C=C1C1=CC=CC(Cl)=C1Cl	REAL300020149149	0	36	-1.0	-41.17	355.61	8.03	-33.14
O=C(CCC1=NN=N[N-]1)NC1=CC=C(Cl)C=C1C1=CC=CC(Cl)=C1Cl	REAL300020149149	1	36	-1.0	-41.15	355.66	8.04	-33.11
CN1N=C(C2=CC=C(Cl)S2)C=C1NC(=O)CCC1=NN=N[N-]1	REAL300020149150	0	33	-1.0	-41.53	320.83	4.53	-37.00
CN1N=C(C2=CC=C(Cl)S2)C=C1NC(=O)CCC1=N[N-]N=N1	REAL300020149150	1	33	-1.0	-41.52	320.78	4.52	-37.00
O=C(CCC1=N[N-]N=N1)NC1CCN(C2=CC=CC(Br)=C2)C1	REAL300020149151	0	38	-1.0	-39.38	332.20	2.98	-36.40
O=C(CCC1=NN=N[N-]1)NC1CCN(C2=CC=CC(Br)=C2)C1	REAL300020149151	1	38	-1.0	-39.36	332.25	3.00	-36.36
CC1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1N1CCNC1=O	REAL300020149152	0	39	-1.0	-52.95	330.66	2.47	-50.48
CC1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1N1CCNC1=O	REAL300020149152	1	39	-1.0	-52.96	330.72	2.49	-50.47
CCNC(=O)NC1=CC=C(C)C(NC(=O)CCC2=N[N-]N=N2)=C1	REAL300020149153	0	41	-1.0	-44.62	342.76	1.82	-42.80
CCNC(=O)NC1=CC=C(C)C(NC(=O)CCC2=NN=N[N-]2)=C1	REAL300020149153	1	41	-1.0	-44.62	342.81	1.84	-42.78
CC(NC(=O)CCC1=N[N-]N=N1)C1=NC(C(F)(F)F)=CS1	REAL300020149154	0	31	-1.0	-41.12	302.13	1.64	-39.48
CC(NC(=O)CCC1=NN=N[N-]1)C1=NC(C(F)(F)F)=CS1	REAL300020149154	1	31	-1.0	-41.14	302.18	1.65	-39.49
COC1=NC2=CC=C(NC(=O)CCC3=NN=N[N-]3)C=C2S1	REAL300020149155	0	32	-1.0	-42.20	296.29	0.42	-41.78
COC1=NC2=CC=C(NC(=O)CCC3=N[N-]N=N3)C=C2S1	REAL300020149155	1	32	-1.0	-42.21	296.23	0.41	-41.80
CN(C)C1=NC2=CC(NC(=O)CCC3=N[N-]N=N3)=CC=C2N1	REAL300020149156	0	37	-1.0	-50.36	314.11	4.36	-46.00
CN(C)C1=NC2=CC(NC(=O)CCC3=NN=N[N-]3)=CC=C2N1	REAL300020149156	1	37	-1.0	-50.37	314.17	4.37	-46.00
O=C(CCC1=N[N-]N=N1)NC1CCC2=C(C1)N=C(C1CCCCC1)N2	REAL300020149157	0	49	-1.0	-46.97	381.88	4.96	-42.01
O=C(CCC1=N[N-]N=N1)NC1CCC2=C(C1)NC(C1CCCCC1)=N2	REAL300020149157	1	49	-1.0	-42.21	381.89	4.96	-37.25
O=C(CCC1=NN=N[N-]1)NC1CCC2=C(C1)N=C(C1CCCCC1)N2	REAL300020149157	1	49	-1.0	-46.97	381.88	4.96	-42.01
O=C(CCC1=NN=N[N-]1)NC1CCC2=C(C1)NC(C1CCCCC1)=N2	REAL300020149157	1	49	-1.0	-42.21	381.89	4.96	-37.25
O=C(CCC1=NN=N[N-]1)NCC1=NC(C2=CC=CC=C2F)=CS1	REAL300020149158	0	35	-1.0	-45.87	325.17	3.70	-42.17
O=C(CCC1=N[N-]N=N1)NCC1=NC(C2=CC=CC=C2F)=CS1	REAL300020149158	1	35	-1.0	-45.88	325.11	3.69	-42.19
CCC1CC2=C(Br)C=CC=C2CN1C(=O)CCC1=N[N-]N=N1	REAL300020149159	0	39	-1.0	-38.74	325.17	6.70	-32.04
CCC1CC2=C(Br)C=CC=C2CN1C(=O)CCC1=NN=N[N-]1	REAL300020149159	1	39	-1.0	-38.76	325.23	6.71	-32.05
CC1=CC(OC2CCN(C)C2=O)=CC=C1NC(=O)CCC1=N[N-]N=N1	REAL300020149160	0	44	-1.0	-48.92	363.57	3.65	-45.27
CC1=CC(OC2CCN(C)C2=O)=CC=C1NC(=O)CCC1=NN=N[N-]1	REAL300020149160	1	44	-1.0	-48.96	363.62	3.67	-45.29
O=C(CCC1=NN=N[N-]1)NC1CCN(C2=NC=CS2)CC1	REAL300020149161	0	37	-1.0	-41.93	316.78	1.43	-40.50
O=C(CCC1=N[N-]N=N1)NC1CCN(C2=NC=CS2)CC1	REAL300020149161	1	37	-1.0	-41.95	316.72	1.41	-40.54
O=C(CCC1=N[N-]N=N1)N[C@H]1C[C@H](C2=CC=CC(C(F)(F)F)=C2)C1	REAL300020149162	0	39	-1.0	-40.66	340.39	5.67	-34.99
O=C(CCC1=NN=N[N-]1)N[C@H]1C[C@H](C2=CC=CC(C(F)(F)F)=C2)C1	REAL300020149162	1	39	-1.0	-40.66	340.45	5.68	-34.98
O=C(CCC1=N[N-]N=N1)N1CCC(C2=CC3=CC=CC=C3N2)CC1	REAL300020149163	0	43	-1.0	-41.80	346.06	6.41	-35.39
O=C(CCC1=NN=N[N-]1)N1CCC(C2=CC3=CC=CC=C3N2)CC1	REAL300020149163	1	43	-1.0	-41.78	346.12	6.42	-35.36
O=C(CCC1=N[N-]N=N1)N1CCN2C(=O)N(CC(F)F)N=C2C1	REAL300020149164	0	36	-1.0	-46.29	315.61	3.25	-43.04
O=C(CCC1=NN=N[N-]1)N1CCN2C(=O)N(CC(F)F)N=C2C1	REAL300020149164	1	36	-1.0	-46.28	315.67	3.26	-43.02
COCC(C1=CC=C(Cl)C=C1)N(C)C(=O)CCC1=N[N-]N=N1	REAL300020149165	0	39	-1.0	-38.88	329.49	5.22	-33.66
COCC(C1=CC=C(Cl)C=C1)N(C)C(=O)CCC1=NN=N[N-]1	REAL300020149165	1	39	-1.0	-38.88	329.54	5.23	-33.65
O=C(CCC1=NN=N[N-]1)NCC1=CN(C2=CC=C(Br)C=C2)N=C1	REAL300020149166	0	36	-1.0	-41.46	337.77	4.54	-36.92
O=C(CCC1=N[N-]N=N1)NCC1=CN(C2=CC=C(Br)C=C2)N=C1	REAL300020149166	1	36	-1.0	-41.43	337.71	4.52	-36.91
CC1=CC(OCC(=O)NC(N)=O)=CC=C1NC(=O)CCC1=N[N-]N=N1	REAL300020149167	0	41	-1.0	-56.15	352.95	0.67	-55.48
CC1=CC(OCC(=O)NC(N)=O)=CC=C1NC(=O)CCC1=NN=N[N-]1	REAL300020149167	1	41	-1.0	-56.10	353.01	0.69	-55.41
NC1=NC=CC(C2CCCN(C(=O)CCC3=N[N-]N=N3)C2)=N1	REAL300020149168	0	39	-1.0	-43.79	317.37	3.60	-40.19
NC1=NC=CC(C2CCCN(C(=O)CCC3=NN=N[N-]3)C2)=N1	REAL300020149168	1	39	-1.0	-43.80	317.42	3.61	-40.19
CC1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1C(=O)N(C)C(C)C	REAL300020149169	0	45	-1.0	-41.74	362.00	4.60	-37.14
CC1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1C(=O)N(C)C(C)C	REAL300020149169	1	45	-1.0	-41.77	362.05	4.62	-37.15
CC(C1=CC=CC(N2CCOC2=O)=C1)N(C)C(=O)CCC1=N[N-]N=N1	REAL300020149170	0	44	-1.0	-58.14	355.84	5.84	-52.30
CC(C1=CC=CC(N2CCOC2=O)=C1)N(C)C(=O)CCC1=NN=N[N-]1	REAL300020149170	1	44	-1.0	-58.11	355.90	5.85	-52.26
CC1=CN=CC=C1OC1CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300020149171	0	43	0.0	-64.31	340.55	4.71	-59.60
CC1=CN=CC=C1OC1CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020149171	1	42	-1.0	-41.77	337.18	4.25	-37.52
CC1=C[NH+]=CC=C1OC1CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020149171	1	43	0.0	-64.31	340.55	4.71	-59.60
CN(C)CC1=CC(NC(=O)CCC2=N[N-]N=N2)=CC=C1Cl	REAL300020149172	0	38	0.0	-62.74	324.04	4.99	-57.75
CN(C)CC1=CC(NC(=O)CCC2=NN=N[N-]2)=CC=C1Cl	REAL300020149172	1	38	0.0	-62.75	324.10	5.01	-57.74
C[NH+](C)CC1=CC(NC(=O)CCC2=N[N-]N=N2)=CC=C1Cl	REAL300020149172	1	38	0.0	-62.74	324.04	4.99	-57.75
C[NH+](C)CC1=CC(NC(=O)CCC2=NN=N[N-]2)=CC=C1Cl	REAL300020149172	1	38	0.0	-62.75	324.10	5.01	-57.74
O=C(CCC1=N[N-]N=N1)N1CCN(CC2=CC(Br)=CC=C2F)CC1	REAL300020149173	0	41	-1.0	-39.24	357.08	4.72	-34.52
O=C(CCC1=NN=N[N-]1)N1CCN(CC2=CC(Br)=CC=C2F)CC1	REAL300020149173	1	41	-1.0	-39.25	357.14	4.74	-34.51
CC1=C(C2=CC=C3NC(=O)CCC3=C2)N=C(NC(=O)CCC2=NN=N[N-]2)S1	REAL300020149174	0	43	-1.0	-42.74	372.57	4.20	-38.54
CC1=C(C2=CC=C3NC(=O)CCC3=C2)N=C(NC(=O)CCC2=N[N-]N=N2)S1	REAL300020149174	1	43	-1.0	-42.78	372.51	4.18	-38.60
O=C(CCC1=N[N-]N=N1)N[C@@H]1C[C@H]1C1=CC=CC=C1Br	REAL300020149175	0	33	-1.0	-40.93	303.46	4.62	-36.31
O=C(CCC1=NN=N[N-]1)N[C@@H]1C[C@H]1C1=CC=CC=C1Br	REAL300020149175	1	33	-1.0	-40.97	303.52	4.64	-36.33
O=C(CCC1=N[N-]N=N1)N[C@@H]1C[C@H]1C1=CC=CC2=CC=CC=C21	REAL300020149176	0	39	-1.0	-42.15	327.78	6.23	-35.92
O=C(CCC1=NN=N[N-]1)N[C@@H]1C[C@H]1C1=CC=CC2=CC=CC=C21	REAL300020149176	1	39	-1.0	-42.16	327.84	6.24	-35.92
O=C(CCC1=NN=N[N-]1)N1CCC(O)(C2=C(Br)N=CS2)CC1	REAL300020149177	0	36	-1.0	-41.00	319.10	0.95	-40.05
O=C(CCC1=N[N-]N=N1)N1CCC(O)(C2=C(Br)N=CS2)CC1	REAL300020149177	1	36	-1.0	-40.99	319.04	0.94	-40.05
CCN1C=CN=C1C1CCCCN1C(=O)CCC1=N[N-]N=N1	REAL300020149178	0	42	-1.0	-46.81	331.07	5.21	-41.60
CCN1C=CN=C1C1CCCCN1C(=O)CCC1=NN=N[N-]1	REAL300020149178	1	42	-1.0	-46.81	331.13	5.23	-41.58
CC1=C(Br)CN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300020149179	0	30	-1.0	-38.65	265.65	3.91	-34.74
CC1=C(Br)CN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020149179	1	30	-1.0	-38.67	265.71	3.92	-34.75
CC1=CC(C2CCCN2C(=O)CCC2=N[N-]N=N2)=CC=C1Br	REAL300020149180	0	39	-1.0	-40.97	338.70	7.34	-33.63
CC1=CC(C2CCCN2C(=O)CCC2=NN=N[N-]2)=CC=C1Br	REAL300020149180	1	39	-1.0	-40.99	338.76	7.35	-33.64
O=C(CCC1=N[N-]N=N1)N1CCCC1C1=CC=C(Br)C(F)=C1	REAL300020149181	0	36	-1.0	-40.84	326.23	6.81	-34.03
O=C(CCC1=NN=N[N-]1)N1CCCC1C1=CC=C(Br)C(F)=C1	REAL300020149181	1	36	-1.0	-40.84	326.29	6.82	-34.02
O=C(CCC1=N[N-]N=N1)N[C@@H]1C[C@H]1C1=CC(F)=C(F)C(F)=C1	REAL300020149182	0	33	-1.0	-42.05	304.20	4.30	-37.75
O=C(CCC1=NN=N[N-]1)N[C@@H]1C[C@H]1C1=CC(F)=C(F)C(F)=C1	REAL300020149182	1	33	-1.0	-42.01	304.25	4.31	-37.70
O=C(CCC1=NN=N[N-]1)NC1=CC=C(OC2=CC=CC(F)=C2F)N=C1	REAL300020149183	0	36	-1.0	-44.13	330.83	3.01	-41.12
O=C(CCC1=N[N-]N=N1)NC1=CC=C(OC2=CC=CC(F)=C2F)N=C1	REAL300020149183	1	36	-1.0	-44.14	330.77	2.99	-41.15
O=C(CCC1=N[N-]N=N1)N1CCC(C2=NC=C3CCCCN32)CC1	REAL300020149184	0	46	-1.0	-46.55	358.18	6.20	-40.35
O=C(CCC1=NN=N[N-]1)N1CCC(C2=NC=C3CCCCN32)CC1	REAL300020149184	1	46	-1.0	-46.50	358.24	6.22	-40.28
CC1(C)NC(=O)N(C2=CC=CC(NC(=O)CCC3=N[N-]N=N3)=C2)C1=O	REAL300020149185	0	41	-1.0	-44.75	344.32	1.94	-42.81
CC1(C)NC(=O)N(C2=CC=CC(NC(=O)CCC3=NN=N[N-]3)=C2)C1=O	REAL300020149185	1	41	-1.0	-44.75	344.37	1.95	-42.80
O=C(CCC1=N[N-]N=N1)N1CCN2C(=CC3=C(Cl)C=CC=C32)C1	REAL300020149186	0	37	-1.0	-41.49	323.66	6.43	-35.06
O=C(CCC1=NN=N[N-]1)N1CCN2C(=CC3=C(Cl)C=CC=C32)C1	REAL300020149186	1	37	-1.0	-41.50	323.72	6.44	-35.06
O=C(CCC1=N[N-]N=N1)NC1CCN(CC2=COC(C3=CC=CC=C3)=N2)CC1	REAL300020149187	0	51	0.0	-66.12	413.10	4.26	-61.86
O=C(CCC1=NN=N[N-]1)NC1CCN(CC2=COC(C3=CC=CC=C3)=N2)CC1	REAL300020149187	1	50	-1.0	-44.52	410.71	2.03	-42.49
O=C(CCC1=NN=N[N-]1)NC1CC[NH+](CC2=COC(C3=CC=CC=C3)=N2)CC1	REAL300020149187	1	51	0.0	-66.12	413.10	4.26	-61.86
CC1=CC=C(C2=CC=NN2C)C=C1NC(=O)CCC1=NN=N[N-]1	REAL300020149188	0	39	-1.0	-44.62	325.55	4.47	-40.15
CC1=CC=C(C2=CC=NN2C)C=C1NC(=O)CCC1=N[N-]N=N1	REAL300020149188	1	39	-1.0	-44.61	325.49	4.45	-40.16
CCOC1=CC=C([C@@H]2C[C@H]2NC(=O)CCC2=N[N-]N=N2)C=C1	REAL300020149189	0	40	-1.0	-41.59	336.54	4.34	-37.25
CCOC1=CC=C([C@@H]2C[C@H]2NC(=O)CCC2=NN=N[N-]2)C=C1	REAL300020149189	1	40	-1.0	-41.59	336.60	4.35	-37.24
O=C(CCC1=N[N-]N=N1)NC1CCC(C2=CC=CC=C2F)C1	REAL300020149190	0	39	-1.0	-39.97	324.19	5.28	-34.69
O=C(CCC1=NN=N[N-]1)NC1CCC(C2=CC=CC=C2F)C1	REAL300020149190	1	39	-1.0	-39.98	324.25	5.29	-34.69
O=C(CCC1=N[N-]N=N1)N[C@@H]1C[C@H]1C1=CC=C(Cl)C(F)=C1	REAL300020149191	0	33	-1.0	-41.31	307.79	4.68	-36.63
O=C(CCC1=NN=N[N-]1)N[C@@H]1C[C@H]1C1=CC=C(Cl)C(F)=C1	REAL300020149191	1	33	-1.0	-41.31	307.85	4.70	-36.61
CCOC(=O)C1=CC2=CC=CC=C2C=C1NC(=O)CCC1=N[N-]N=N1	REAL300020149192	0	41	-1.0	-44.22	350.69	6.83	-37.39
CCOC(=O)C1=CC2=CC=CC=C2C=C1NC(=O)CCC1=NN=N[N-]1	REAL300020149192	1	41	-1.0	-44.23	350.74	6.85	-37.38
CC(C)N1N=C(C2=CC=CO2)C=C1NC(=O)CCC1=NN=N[N-]1	REAL300020149193	0	39	-1.0	-44.60	336.55	4.54	-40.06
CC(C)N1N=C(C2=CC=CO2)C=C1NC(=O)CCC1=N[N-]N=N1	REAL300020149193	1	39	-1.0	-44.59	336.50	4.52	-40.07
O=C(CCC1=N[N-]N=N1)N1CCC(CNC(=O)OCC2=CC=CC=C2)CC1	REAL300020149194	0	50	-1.0	-45.10	407.63	5.31	-39.79
O=C(CCC1=NN=N[N-]1)N1CCC(CNC(=O)OCC2=CC=CC=C2)CC1	REAL300020149194	1	50	-1.0	-45.12	407.69	5.33	-39.79
CC(C)C1=CC=CC=C1NC(=S)NNC(=O)CCC1=N[N-]N=N1	REAL300020149195	0	41	-1.0	-41.98	350.26	5.56	-36.42
CC(C)C1=CC=CC=C1NC(=S)NNC(=O)CCC1=NN=N[N-]1	REAL300020149195	1	41	-1.0	-41.95	350.32	5.58	-36.37
C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)CCC1=N[N-]N=N1	REAL300020149196	0	46	0.0	-62.12	337.85	4.08	-58.04
C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)CCC1=N[N-]N=N1	REAL300020149196	1	46	0.0	-62.41	336.19	3.87	-58.54
C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)CCC1=NN=N[N-]1	REAL300020149196	1	46	0.0	-62.12	337.85	4.08	-58.04
C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)CCC1=NN=N[N-]1	REAL300020149196	1	46	0.0	-62.41	336.19	3.87	-58.54
O=C(CCC1=N[N-]N=N1)NC1=CC=CC(C2=NC=C3CCCCN32)=C1	REAL300020149197	0	43	-1.0	-52.24	349.53	6.06	-46.18
O=C(CCC1=NN=N[N-]1)NC1=CC=CC(C2=NC=C3CCCCN32)=C1	REAL300020149197	1	43	-1.0	-52.29	349.59	6.07	-46.22
O=C(CCC1=N[N-]N=N1)NCC1=NC2=CC([N+](=O)[O-])=CC=C2N1	REAL300020149198	0	34	-1.0	-45.01	311.98	2.08	-42.93
O=C(CCC1=NN=N[N-]1)NCC1=NC2=CC([N+](=O)[O-])=CC=C2N1	REAL300020149198	1	34	-1.0	-45.05	312.04	2.09	-42.96
C[C@H](NC(=O)CCC1=N[N-]N=N1)C1=CC=C(Br)C=C1	REAL300020149199	0	32	-1.0	-38.68	296.41	4.16	-34.52
C[C@H](NC(=O)CCC1=NN=N[N-]1)C1=CC=C(Br)C=C1	REAL300020149199	1	32	-1.0	-38.63	296.47	4.17	-34.46
O=C(CCC1=N[N-]N=N1)N[C@@H]1C[C@H]1C1=CC=C(Cl)C(Cl)=C1	REAL300020149200	0	33	-1.0	-40.71	317.11	5.08	-35.63
O=C(CCC1=NN=N[N-]1)N[C@@H]1C[C@H]1C1=CC=C(Cl)C(Cl)=C1	REAL300020149200	1	33	-1.0	-40.73	317.17	5.10	-35.63
O=C(CCC1=N[N-]N=N1)NCC1CCC[N@@H+]1C1CCCCC1	REAL300020149201	0	48	0.0	-56.06	348.09	5.09	-50.97
O=C(CCC1=N[N-]N=N1)NCC1CCC[N@H+]1C1CCCCC1	REAL300020149201	1	48	0.0	-60.03	343.88	5.87	-54.16
O=C(CCC1=NN=N[N-]1)NCC1CCC[N@@H+]1C1CCCCC1	REAL300020149201	1	48	0.0	-56.06	348.09	5.09	-50.97
O=C(CCC1=NN=N[N-]1)NCC1CCC[N@H+]1C1CCCCC1	REAL300020149201	1	48	0.0	-60.03	343.88	5.87	-54.16
O=C(CCC1=N[N-]N=N1)N(CCC1=CC=CC=N1)CC1=CC=NC=C1	REAL300020149202	0	43	-1.0	-42.92	361.78	5.82	-37.10
O=C(CCC1=NN=N[N-]1)N(CCC1=CC=CC=N1)CC1=CC=NC=C1	REAL300020149202	1	43	-1.0	-42.91	361.84	5.83	-37.08
O=C(CCC1=NN=N[N-]1)NCC1=NC(C2=CC=CC(F)=C2)=NO1	REAL300020149203	0	34	-1.0	-41.18	314.95	1.43	-39.75
O=C(CCC1=N[N-]N=N1)NCC1=NC(C2=CC=CC(F)=C2)=NO1	REAL300020149203	1	34	-1.0	-41.19	314.90	1.42	-39.77
CN(C)NC(=O)NC1=CC=CC(NC(=O)CCC2=N[N-]N=N2)=C1	REAL300020149204	0	40	-1.0	-43.94	339.98	1.27	-42.67
CN(C)NC(=O)NC1=CC=CC(NC(=O)CCC2=NN=N[N-]2)=C1	REAL300020149204	1	40	-1.0	-43.90	340.04	1.28	-42.62
C[C@@H](NC(=O)CCC1=N[N-]N=N1)C1=CC=C(Br)C=C1	REAL300020149205	0	32	-1.0	-38.65	296.36	4.16	-34.49
C[C@@H](NC(=O)CCC1=NN=N[N-]1)C1=CC=C(Br)C=C1	REAL300020149205	1	32	-1.0	-38.62	296.42	4.17	-34.45
O=C(CCC1=N[N-]N=N1)N1CCC(CO)(CC2=CC=CC=C2)CC1	REAL300020149206	0	46	-1.0	-41.36	343.15	4.26	-37.10
O=C(CCC1=NN=N[N-]1)N1CCC(CO)(CC2=CC=CC=C2)CC1	REAL300020149206	1	46	-1.0	-41.40	343.21	4.28	-37.12
CC1=CC=CC=C1C(CC(F)(F)F)NC(=O)CCC1=N[N-]N=N1	REAL300020149207	0	38	-1.0	-41.73	329.88	6.12	-35.61
CC1=CC=CC=C1C(CC(F)(F)F)NC(=O)CCC1=NN=N[N-]1	REAL300020149207	1	38	-1.0	-41.71	329.93	6.14	-35.57
O=C(CCC1=N[N-]N=N1)N[C@H]1C[C@H](C2=CC=C(C(F)(F)F)C=C2)C1	REAL300020149208	0	39	-1.0	-40.27	340.10	5.65	-34.62
O=C(CCC1=NN=N[N-]1)N[C@H]1C[C@H](C2=CC=C(C(F)(F)F)C=C2)C1	REAL300020149208	1	39	-1.0	-40.28	340.16	5.66	-34.62
COC1=CC=C(NC(=S)NNC(=O)CCC2=N[N-]N=N2)C=C1F	REAL300020149209	0	36	-1.0	-43.37	327.93	2.75	-40.62
COC1=CC=C(NC(=S)NNC(=O)CCC2=NN=N[N-]2)C=C1F	REAL300020149209	1	36	-1.0	-43.38	327.99	2.76	-40.62
CS(=O)(=O)C1=CC=C(CNC(=O)CCC2=N[N-]N=N2)C=C1C(F)(F)F	REAL300020149210	0	38	-1.0	-45.54	340.99	1.27	-44.27
CS(=O)(=O)C1=CC=C(CNC(=O)CCC2=NN=N[N-]2)C=C1C(F)(F)F	REAL300020149210	1	38	-1.0	-45.52	341.04	1.29	-44.23
O=C(CCC1=N[N-]N=N1)NC1=CC=CC(F)=C1C1=NNC=N1	REAL300020149211	0	32	-1.0	-44.59	286.46	4.43	-40.16
O=C(CCC1=NN=N[N-]1)NC1=CC=CC(F)=C1C1=NNC=N1	REAL300020149211	1	32	-1.0	-44.58	286.52	4.44	-40.14
N#CC1=CC=C(N2CCN(C(=O)CCC3=N[N-]N=N3)CC2)C(Cl)=C1	REAL300020149212	0	39	-1.0	-41.09	338.30	4.78	-36.31
N#CC1=CC=C(N2CCN(C(=O)CCC3=NN=N[N-]3)CC2)C(Cl)=C1	REAL300020149212	1	39	-1.0	-41.09	338.36	4.79	-36.30
O=C(CCC1=N[N-]N=N1)NCC1=CC=C(Cl)C=C1I	REAL300020149213	0	29	-1.0	-38.48	298.53	4.17	-34.31
O=C(CCC1=NN=N[N-]1)NCC1=CC=C(Cl)C=C1I	REAL300020149213	1	29	-1.0	-38.50	298.58	4.19	-34.31
O=C(CCC1=N[N-]N=N1)NC1=CC=CC=C1C1=NC=C2CCCCN21	REAL300020149214	0	43	-1.0	-46.03	352.38	6.32	-39.71
O=C(CCC1=NN=N[N-]1)NC1=CC=CC=C1C1=NC=C2CCCCN21	REAL300020149214	1	43	-1.0	-46.04	352.43	6.33	-39.71
CNS(=O)(=O)NC1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1	REAL300020149215	0	36	-1.0	-46.50	320.79	-1.88	-48.38
CNS(=O)(=O)NC1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1	REAL300020149215	1	36	-1.0	-46.56	320.84	-1.87	-48.43
CC1=CC=C(C(NC(=O)CCC2=N[N-]N=N2)C(C)S(C)(=O)=O)C=C1	REAL300020149216	0	44	-1.0	-44.26	358.20	2.31	-41.95
CC1=CC=C(C(NC(=O)CCC2=NN=N[N-]2)C(C)S(C)(=O)=O)C=C1	REAL300020149216	1	44	-1.0	-44.30	358.26	2.33	-41.97
NC(=O)CCNC(=O)NC1=CC=CC(NC(=O)CCC2=N[N-]N=N2)=C1	REAL300020149217	0	42	-1.0	-53.35	362.24	-2.28	-55.63
NC(=O)CCNC(=O)NC1=CC=CC(NC(=O)CCC2=NN=N[N-]2)=C1	REAL300020149217	1	42	-1.0	-53.32	362.30	-2.26	-55.58
O=C(CCC1=N[N-]N=N1)NC12CCC(C(F)(F)F)(CC1)CC2	REAL300020149218	0	39	-1.0	-39.08	308.80	3.89	-35.19
O=C(CCC1=NN=N[N-]1)NC12CCC(C(F)(F)F)(CC1)CC2	REAL300020149218	1	39	-1.0	-39.10	308.86	3.91	-35.19
CC1=C(CC2=CC=C(Cl)C=C2F)SC(NC(=O)CCC2=N[N-]N=N2)=N1	REAL300020149219	0	38	-1.0	-44.91	362.36	6.80	-38.11
CC1=C(CC2=CC=C(Cl)C=C2F)SC(NC(=O)CCC2=NN=N[N-]2)=N1	REAL300020149219	1	38	-1.0	-44.93	362.42	6.81	-38.12
CC1=C(CC2=C(F)C=CC=C2F)SC(NC(=O)CCC2=N[N-]N=N2)=N1	REAL300020149220	0	38	-1.0	-44.69	343.98	6.12	-38.57
CC1=C(CC2=C(F)C=CC=C2F)SC(NC(=O)CCC2=NN=N[N-]2)=N1	REAL300020149220	1	38	-1.0	-44.70	344.03	6.13	-38.57
CC1=C(CC2=CC=C(F)C=C2F)SC(NC(=O)CCC2=N[N-]N=N2)=N1	REAL300020149221	0	38	-1.0	-45.35	352.04	6.34	-39.01
CC1=C(CC2=CC=C(F)C=C2F)SC(NC(=O)CCC2=NN=N[N-]2)=N1	REAL300020149221	1	38	-1.0	-45.32	352.10	6.36	-38.96
CC1=C(CC2=CC=C(F)C(F)=C2F)SC(NC(=O)CCC2=N[N-]N=N2)=N1	REAL300020149222	0	38	-1.0	-48.41	358.12	6.40	-42.01
CC1=C(CC2=CC=C(F)C(F)=C2F)SC(NC(=O)CCC2=NN=N[N-]2)=N1	REAL300020149222	1	38	-1.0	-48.39	358.18	6.42	-41.97
CC1=C(CC2=CC=CC(Cl)=C2F)SC(NC(=O)CCC2=N[N-]N=N2)=N1	REAL300020149223	0	38	-1.0	-46.14	357.76	6.63	-39.51
CC1=C(CC2=CC=CC(Cl)=C2F)SC(NC(=O)CCC2=NN=N[N-]2)=N1	REAL300020149223	1	38	-1.0	-46.12	357.82	6.65	-39.47
O=C(CCC1=N[N-]N=N1)NCC1(C2=C(Cl)C=CC=C2Cl)CCC1	REAL300020149224	0	39	-1.0	-39.11	336.28	5.97	-33.14
O=C(CCC1=NN=N[N-]1)NCC1(C2=C(Cl)C=CC=C2Cl)CCC1	REAL300020149224	1	39	-1.0	-39.12	336.33	5.98	-33.14
COCC(NC(=O)CCC1=N[N-]N=N1)C1=CC=C(Cl)C=C1	REAL300020149225	0	36	-1.0	-38.61	322.89	3.28	-35.33
COCC(NC(=O)CCC1=NN=N[N-]1)C1=CC=C(Cl)C=C1	REAL300020149225	1	36	-1.0	-38.59	322.94	3.29	-35.30
CC(C)(C)OC(=O)NCC(NC(=O)CCC1=N[N-]N=N1)C1CCCC1	REAL300020149226	0	52	-1.0	-41.05	405.32	3.22	-37.83
CC(C)(C)OC(=O)NCC(NC(=O)CCC1=NN=N[N-]1)C1CCCC1	REAL300020149226	1	52	-1.0	-41.06	405.37	3.24	-37.82
CC1=CC=C(NC(=O)N(C)C)C=C1NC(=O)CCC1=N[N-]N=N1	REAL300020149227	0	41	-1.0	-45.46	339.05	3.19	-42.27
CC1=CC=C(NC(=O)N(C)C)C=C1NC(=O)CCC1=NN=N[N-]1	REAL300020149227	1	41	-1.0	-45.43	339.11	3.20	-42.23
O=C(CCC1=N[N-]N=N1)N[C@H]1C[C@@H]1C1=CC=CC=C1OC(F)F	REAL300020149228	0	37	-1.0	-43.39	323.34	3.74	-39.65
O=C(CCC1=NN=N[N-]1)N[C@H]1C[C@@H]1C1=CC=CC=C1OC(F)F	REAL300020149228	1	37	-1.0	-43.37	323.40	3.75	-39.62
O=C(CCC1=N[N-]N=N1)N1CCC(C(=O)C2=CC=C(F)C=C2)CC1	REAL300020149229	0	41	-1.0	-45.45	341.35	6.26	-39.19
O=C(CCC1=NN=N[N-]1)N1CCC(C(=O)C2=CC=C(F)C=C2)CC1	REAL300020149229	1	41	-1.0	-45.48	341.41	6.27	-39.21
O=C(CCC1=NN=N[N-]1)NC1=CC=C(OC2=NC=C(Cl)C=N2)C(Cl)=C1	REAL300020149230	0	35	-1.0	-43.93	346.22	1.85	-42.08
O=C(CCC1=N[N-]N=N1)NC1=CC=C(OC2=NC=C(Cl)C=N2)C(Cl)=C1	REAL300020149230	1	35	-1.0	-43.89	346.17	1.84	-42.05
O=C(CCC1=N[N-]N=N1)N1CCC(NC2=CC=CC(Br)=C2)CC1	REAL300020149231	0	41	-1.0	-39.97	349.25	5.27	-34.70
O=C(CCC1=NN=N[N-]1)N1CCC(NC2=CC=CC(Br)=C2)CC1	REAL300020149231	1	41	-1.0	-39.94	349.31	5.29	-34.65
CCS(=O)(=O)CCN1C=C(C)C(NC(=O)CCC2=NN=N[N-]2)=N1	REAL300020149232	0	41	-1.0	-52.28	363.81	1.49	-50.79
CCS(=O)(=O)CCN1C=C(C)C(NC(=O)CCC2=N[N-]N=N2)=N1	REAL300020149232	1	41	-1.0	-52.28	363.75	1.47	-50.81
CC1=CC(S(=O)(=O)CCO)=CC=C1NC(=O)CCC1=N[N-]N=N1	REAL300020149233	0	39	-1.0	-46.29	342.85	-1.48	-47.77
CC1=CC(S(=O)(=O)CCO)=CC=C1NC(=O)CCC1=NN=N[N-]1	REAL300020149233	1	39	-1.0	-46.27	342.91	-1.47	-47.74
O=C(CCC1=N[N-]N=N1)NC1=CC=C(C2=NNC=N2)C=C1F	REAL300020149234	0	32	-1.0	-43.97	292.51	3.58	-40.39
O=C(CCC1=NN=N[N-]1)NC1=CC=C(C2=NNC=N2)C=C1F	REAL300020149234	1	32	-1.0	-43.95	292.57	3.59	-40.36
O=C(CCC1=N[N-]N=N1)NC1=CC(C2=NNC=N2)=CC=C1F	REAL300020149235	0	32	-1.0	-46.89	292.55	3.57	-43.32
O=C(CCC1=NN=N[N-]1)NC1=CC(C2=NNC=N2)=CC=C1F	REAL300020149235	1	32	-1.0	-46.95	292.61	3.59	-43.36
O=C(CCC1=N[N-]N=N1)NC1=CC=C(F)C(C2=NN=CN2)=C1	REAL300020149236	0	32	-1.0	-51.01	288.61	3.92	-47.09
O=C(CCC1=NN=N[N-]1)NC1=CC=C(F)C(C2=NN=CN2)=C1	REAL300020149236	1	32	-1.0	-51.01	288.66	3.94	-47.07
O=C(CCC1=NN=N[N-]1)NCC1=CN=C(N2CCOCC2)S1	REAL300020149238	0	38	-1.0	-40.65	331.33	0.02	-40.63
O=C(CCC1=N[N-]N=N1)NCC1=CN=C(N2CCOCC2)S1	REAL300020149238	1	38	-1.0	-40.62	331.27	0.01	-40.61
O=C(CCC1=N[N-]N=N1)NCC1=CC=NC=C1C(F)(F)F	REAL300020149239	0	31	-1.0	-41.06	283.33	2.30	-38.76
O=C(CCC1=NN=N[N-]1)NCC1=CC=NC=C1C(F)(F)F	REAL300020149239	1	31	-1.0	-41.03	283.39	2.31	-38.72
O=C(CCC1=N[N-]N=N1)NC1=CNN=C1C1=CC=CC=C1F	REAL300020149240	0	33	-1.0	-41.61	296.01	2.68	-38.93
O=C(CCC1=NN=N[N-]1)NC1=CNN=C1C1=CC=CC=C1F	REAL300020149240	1	33	-1.0	-41.58	296.07	2.69	-38.89
O=C(CCC1=N[N-]N=N1)NCC(CO)CC1=CC(F)=C(F)C(F)=C1	REAL300020149241	0	39	-1.0	-43.96	342.51	2.25	-41.71
O=C(CCC1=NN=N[N-]1)NCC(CO)CC1=CC(F)=C(F)C(F)=C1	REAL300020149241	1	39	-1.0	-44.02	342.56	2.26	-41.76
CS(=O)(=O)C1CCCCN(C(=O)CCC2=N[N-]N=N2)C1	REAL300020149242	0	38	-1.0	-43.17	309.82	1.18	-41.99
CS(=O)(=O)C1CCCCN(C(=O)CCC2=NN=N[N-]2)C1	REAL300020149242	1	38	-1.0	-43.20	309.88	1.19	-42.01
O=C(CCC1=N[N-]N=N1)N[C@H]1C[C@H](C2=CC=C(F)C(Br)=C2)C1	REAL300020149243	0	36	-1.0	-41.08	328.40	5.31	-35.77
O=C(CCC1=NN=N[N-]1)N[C@H]1C[C@H](C2=CC=C(F)C(Br)=C2)C1	REAL300020149243	1	36	-1.0	-41.06	328.46	5.33	-35.73
CN(CCOC1=CC=CC=C1C(C)(C)C)C(=O)CCC1=N[N-]N=N1	REAL300020149244	0	48	-1.0	-40.08	370.50	6.94	-33.14
CN(CCOC1=CC=CC=C1C(C)(C)C)C(=O)CCC1=NN=N[N-]1	REAL300020149244	1	48	-1.0	-40.08	370.56	6.95	-33.13
O=C(CCC1=N[N-]N=N1)N(CCN1C=CN=C1)CC1=CC=CC(Cl)=C1	REAL300020149245	0	42	-1.0	-42.54	368.13	8.60	-33.94
O=C(CCC1=NN=N[N-]1)N(CCN1C=CN=C1)CC1=CC=CC(Cl)=C1	REAL300020149245	1	42	-1.0	-42.58	368.19	8.61	-33.97
CN(C(=O)C1CCN(C(=O)CCC2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020149246	0	43	-1.0	-46.90	347.12	5.20	-41.70
CN(C(=O)C1CCN(C(=O)CCC2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020149246	1	43	-1.0	-46.92	347.18	5.22	-41.70
COC(=O)[C@@H]1CC[C@@H](C2=CC=CC=C2)N1C(=O)CCC1=N[N-]N=N1	REAL300020149247	0	42	-1.0	-46.97	347.95	7.55	-39.42
COC(=O)[C@@H]1CC[C@@H](C2=CC=CC=C2)N1C(=O)CCC1=NN=N[N-]1	REAL300020149247	1	42	-1.0	-46.97	348.01	7.56	-39.41
COC1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1S(=O)(=O)N1CCCC1	REAL300020149248	0	45	-1.0	-53.15	378.81	1.54	-51.61
COC1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1S(=O)(=O)N1CCCC1	REAL300020149248	1	45	-1.0	-53.17	378.87	1.55	-51.62
CC1=CC=NC(C2=NNC(C(C)NC(=O)CCC3=N[N-]N=N3)=N2)=C1	REAL300020149249	0	40	-1.0	-45.35	349.76	2.32	-43.03
CC1=CC=NC(C2=NNC(C(C)NC(=O)CCC3=NN=N[N-]3)=N2)=C1	REAL300020149249	1	40	-1.0	-45.36	349.81	2.34	-43.02
O=C(CCC1=N[N-]N=N1)NC1CCN(C2=CC=CC(Br)=C2)C1=O	REAL300020149250	0	37	-1.0	-49.23	334.02	3.76	-45.47
O=C(CCC1=NN=N[N-]1)NC1CCN(C2=CC=CC(Br)=C2)C1=O	REAL300020149250	1	37	-1.0	-49.25	334.08	3.78	-45.47
O=C(CCC1=N[N-]N=N1)NC1(C2=CC=CC(OC(F)(F)F)=C2)CCOCC1	REAL300020149251	0	44	-1.0	-39.51	361.43	3.61	-35.90
O=C(CCC1=NN=N[N-]1)NC1(C2=CC=CC(OC(F)(F)F)=C2)CCOCC1	REAL300020149251	1	44	-1.0	-39.58	361.48	3.63	-35.95
O=C(CCC1=N[N-]N=N1)NC1(C2=CC=CC(C(F)(F)F)=C2)CCOCC1	REAL300020149252	0	43	-1.0	-39.59	354.51	4.84	-34.75
O=C(CCC1=NN=N[N-]1)NC1(C2=CC=CC(C(F)(F)F)=C2)CCOCC1	REAL300020149252	1	43	-1.0	-39.58	354.57	4.85	-34.73
CN(C(=O)CCC1=N[N-]N=N1)C(C1=CC=C(Cl)C=C1)C1CCCC1	REAL300020149253	0	45	-1.0	-38.88	352.74	7.80	-31.08
CN(C(=O)CCC1=NN=N[N-]1)C(C1=CC=C(Cl)C=C1)C1CCCC1	REAL300020149253	1	45	-1.0	-38.88	352.80	7.82	-31.06
O=C(CCC1=N[N-]N=N1)N[C@@H]1C[C@H]1C1=C(F)C=CC=C1Cl	REAL300020149254	0	33	-1.0	-41.76	301.96	4.49	-37.27
O=C(CCC1=NN=N[N-]1)N[C@@H]1C[C@H]1C1=C(F)C=CC=C1Cl	REAL300020149254	1	33	-1.0	-41.73	302.02	4.50	-37.23
COCC(C)NC1=CC=CC=C1NC(=O)CCC1=N[N-]N=N1	REAL300020149255	0	41	-1.0	-41.34	335.60	2.36	-38.98
COCC(C)NC1=CC=CC=C1NC(=O)CCC1=NN=N[N-]1	REAL300020149255	1	41	-1.0	-41.38	335.65	2.38	-39.00
COC(=O)NC1=CC=CC(NC(=O)CCC2=N[N-]N=N2)=C1C	REAL300020149256	0	37	-1.0	-43.13	313.59	1.96	-41.17
COC(=O)NC1=CC=CC(NC(=O)CCC2=NN=N[N-]2)=C1C	REAL300020149256	1	37	-1.0	-43.18	313.64	1.96	-41.22
NC(=O)CNC(=O)NC1=CC=CC(NC(=O)CCC2=N[N-]N=N2)=C1	REAL300020149257	0	39	-1.0	-47.78	340.11	-2.90	-50.68
NC(=O)CNC(=O)NC1=CC=CC(NC(=O)CCC2=NN=N[N-]2)=C1	REAL300020149257	1	39	-1.0	-47.75	340.17	-2.88	-50.63
COC1=CC=CC(C2(NC(=O)CCC3=N[N-]N=N3)CCOCC2)=C1F	REAL300020149258	0	44	-1.0	-41.35	343.67	2.78	-38.57
COC1=CC=CC(C2(NC(=O)CCC3=NN=N[N-]3)CCOCC2)=C1F	REAL300020149258	1	44	-1.0	-41.34	343.73	2.79	-38.55
O=C(CCC1=N[N-]N=N1)NC1=CC=C(Cl)C=C1NC1=CC=CC=C1	REAL300020149259	0	38	-1.0	-38.74	334.25	5.69	-33.05
O=C(CCC1=NN=N[N-]1)NC1=CC=C(Cl)C=C1NC1=CC=CC=C1	REAL300020149259	1	38	-1.0	-38.73	334.31	5.71	-33.02
O=C(CCC1=N[N-]N=N1)N1CCC(O)(CC2=CC=CC=C2F)CC1	REAL300020149260	0	43	-1.0	-40.05	341.43	4.26	-35.79
O=C(CCC1=NN=N[N-]1)N1CCC(O)(CC2=CC=CC=C2F)CC1	REAL300020149260	1	43	-1.0	-40.08	341.48	4.28	-35.80
O=C(CCC1=N[N-]N=N1)NC1=CC=C(OCC(F)F)C(C(F)(F)F)=C1	REAL300020149261	0	36	-1.0	-43.76	333.60	4.21	-39.55
O=C(CCC1=NN=N[N-]1)NC1=CC=C(OCC(F)F)C(C(F)(F)F)=C1	REAL300020149261	1	36	-1.0	-43.77	333.65	4.22	-39.55
O=C(CCC1=N[N-]N=N1)N1CC(C2=CC=CC=C2)C2=CC=CC=C21	REAL300020149262	0	40	-1.0	-41.17	330.69	7.99	-33.18
O=C(CCC1=NN=N[N-]1)N1CC(C2=CC=CC=C2)C2=CC=CC=C21	REAL300020149262	1	40	-1.0	-41.18	330.75	8.01	-33.17
C[C@H](NC(=O)CCC1=N[N-]N=N1)C1=CC=C(Cl)C=C1Cl	REAL300020149263	0	32	-1.0	-39.11	305.01	4.52	-34.59
C[C@H](NC(=O)CCC1=NN=N[N-]1)C1=CC=C(Cl)C=C1Cl	REAL300020149263	1	32	-1.0	-39.10	305.07	4.54	-34.56
CC(C)(COCC1=CC=CC=C1)NC(=O)CCC1=N[N-]N=N1	REAL300020149264	0	42	-1.0	-40.55	344.86	4.19	-36.36
CC(C)(COCC1=CC=CC=C1)NC(=O)CCC1=NN=N[N-]1	REAL300020149264	1	42	-1.0	-40.56	344.92	4.21	-36.35
CN(CCNC(=O)CCC1=N[N-]N=N1)S(=O)(=O)C1=CC=C(F)C=C1	REAL300020149265	0	40	-1.0	-47.47	360.44	0.96	-46.51
CN(CCNC(=O)CCC1=NN=N[N-]1)S(=O)(=O)C1=CC=C(F)C=C1	REAL300020149265	1	40	-1.0	-47.50	360.50	0.97	-46.53
COC1=CC=C(C2=CC(NC(=O)CCC3=N[N-]N=N3)=CC=C2OC(F)F)C=C1	REAL300020149266	0	44	-1.0	-44.48	378.90	5.21	-39.27
COC1=CC=C(C2=CC(NC(=O)CCC3=NN=N[N-]3)=CC=C2OC(F)F)C=C1	REAL300020149266	1	44	-1.0	-44.44	378.96	5.23	-39.21
CN(CC1=CC=CC=C1NC(=O)CCC1=N[N-]N=N1)C1=CC=CC=C1	REAL300020149267	0	44	-1.0	-39.78	357.50	7.51	-32.27
CN(CC1=CC=CC=C1NC(=O)CCC1=NN=N[N-]1)C1=CC=CC=C1	REAL300020149267	1	44	-1.0	-39.79	357.56	7.52	-32.27
CC(C)C(NC(=O)CCC1=N[N-]N=N1)C(O)C1=CC=CC=C1	REAL300020149268	0	42	-1.0	-40.04	330.33	2.88	-37.16
CC(C)C(NC(=O)CCC1=NN=N[N-]1)C(O)C1=CC=CC=C1	REAL300020149268	1	42	-1.0	-40.04	330.39	2.90	-37.14
CC1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1C(=O)N1CCCCC1	REAL300020149269	0	46	-1.0	-45.20	365.23	5.17	-40.03
CC1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1C(=O)N1CCCCC1	REAL300020149269	1	46	-1.0	-45.19	365.28	5.18	-40.01
O=C(CCC1=N[N-]N=N1)NC1=CN(CC2=NN=C3CCCCN23)N=C1	REAL300020149270	0	42	-1.0	-51.30	352.59	4.17	-47.13
O=C(CCC1=NN=N[N-]1)NC1=CN(CC2=NN=C3CCCCN23)N=C1	REAL300020149270	1	42	-1.0	-51.28	352.65	4.18	-47.10
CCOC(=O)C1=NNC(C2CCN(C(=O)CCC3=N[N-]N=N3)CC2)=N1	REAL300020149271	0	44	-1.0	-45.53	367.46	4.15	-41.38
CCOC(=O)C1=NNC(C2CCN(C(=O)CCC3=NN=N[N-]3)CC2)=N1	REAL300020149271	1	44	-1.0	-45.55	367.52	4.16	-41.39
O=C(CCC1=NN=N[N-]1)NC1=NC2=CC=C(Cl)N=C2S1	REAL300020149272	0	27	-1.0	-40.36	275.04	1.69	-38.67
O=C(CCC1=N[N-]N=N1)NC1=NC2=CC=C(Cl)N=C2S1	REAL300020149272	1	27	-1.0	-40.33	274.98	1.67	-38.66
C[NH+](C)CC1CCN(C2=CC=CC=C2NC(=O)CCC2=N[N-]N=N2)CC1	REAL300020149273	0	53	0.0	-66.03	396.44	6.63	-59.40
C[NH+](C)CC1CCN(C2=CC=CC=C2NC(=O)CCC2=NN=N[N-]2)CC1	REAL300020149273	1	53	0.0	-66.01	396.49	6.64	-59.37
O=C(CCC1=NN=N[N-]1)NCC1=NOC(C2=CC=CC(Br)=C2)=N1	REAL300020149274	0	34	-1.0	-40.23	329.99	1.89	-38.34
O=C(CCC1=N[N-]N=N1)NCC1=NOC(C2=CC=CC(Br)=C2)=N1	REAL300020149274	1	34	-1.0	-40.26	329.93	1.87	-38.39
CC1CCC(O)C(C2CCCN2C(=O)CCC2=N[N-]N=N2)C1	REAL300020149275	0	46	-1.0	-44.55	341.37	4.36	-40.19
CC1CCC(O)C(C2CCCN2C(=O)CCC2=NN=N[N-]2)C1	REAL300020149275	1	46	-1.0	-44.56	341.43	4.37	-40.19
CC1=CC(CNC(=O)CCC2=N[N-]N=N2)=CC=C1I	REAL300020149276	0	32	-1.0	-38.22	302.94	4.33	-33.89
CC1=CC(CNC(=O)CCC2=NN=N[N-]2)=CC=C1I	REAL300020149276	1	32	-1.0	-38.25	303.00	4.34	-33.91
CC1CN(C2=CC=CC3=CN=CC=C32)CCN1C(=O)CCC1=N[N-]N=N1	REAL300020149277	0	46	-1.0	-40.99	356.16	4.93	-36.06
CC1CN(C2=CC=CC3=CN=CC=C32)CCN1C(=O)CCC1=NN=N[N-]1	REAL300020149277	1	46	-1.0	-41.00	356.22	4.94	-36.06
O=C(CCC1=N[N-]N=N1)NCC1=C(F)C(F)=C(F)C(F)=C1F	REAL300020149278	0	29	-1.0	-37.83	286.95	2.93	-34.90
O=C(CCC1=NN=N[N-]1)NCC1=C(F)C(F)=C(F)C(F)=C1F	REAL300020149278	1	29	-1.0	-37.86	287.01	2.95	-34.91
CCCOC1=CC(N2CCC(O)CC2)=CC=C1NC(=O)CCC1=N[N-]N=N1	REAL300020149279	0	52	-1.0	-41.85	406.88	1.65	-40.20
CCCOC1=CC(N2CCC(O)CC2)=CC=C1NC(=O)CCC1=NN=N[N-]1	REAL300020149279	1	52	-1.0	-41.87	406.94	1.67	-40.20
O=C(CCC1=NN=N[N-]1)N1CCN(C2=CN=CC(F)=C2)CC1	REAL300020149280	0	37	-1.0	-39.87	305.27	2.05	-37.82
O=C(CCC1=N[N-]N=N1)N1CCN(C2=CN=CC(F)=C2)CC1	REAL300020149280	1	37	-1.0	-39.90	305.22	2.04	-37.86
O=C(CCC1=NN=N[N-]1)NC1=CC=C(OC2=CC=CC=C2F)N=C1	REAL300020149281	0	36	-1.0	-44.00	325.02	2.95	-41.05
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CC(OC1=CC=CC(Cl)=C1)C(=O)NNC(=O)CCC1=N[N-]N=N1	REAL300020149282	0	37	-1.0	-44.03	338.10	3.11	-40.92
CC(OC1=CC=CC(Cl)=C1)C(=O)NNC(=O)CCC1=NN=N[N-]1	REAL300020149282	1	37	-1.0	-44.01	338.15	3.13	-40.88
O=C(CCC1=NN=N[N-]1)NCCCNC1=NC=NC2=CC=C([N+](=O)[O-])C=C21	REAL300020149283	0	43	-1.0	-45.44	377.22	4.52	-40.92
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O=C(CCC1=NN=N[N-]1)NCCNC1=NC=NC2=CC=C([N+](=O)[O-])C=C21	REAL300020149284	0	40	-1.0	-44.25	355.73	3.74	-40.51
O=C(CCC1=N[N-]N=N1)NCCNC1=NC=NC2=CC=C([N+](=O)[O-])C=C21	REAL300020149284	1	40	-1.0	-44.24	355.67	3.73	-40.51
O=C(CCC1=NN=N[N-]1)N1CCC(CNC(=O)C(F)(F)F)CC1	REAL300020149285	0	38	-2.0	-79.61	332.30	0.78	-78.83
O=C(CCC1=N[N-]N=N1)N1CCC(CNC(=O)C(F)(F)F)CC1	REAL300020149285	1	39	-1.0	-43.60	334.20	2.29	-41.31
O=C(CCC1=N[N-]N=N1)N1CCC(C[N-]C(=O)C(F)(F)F)CC1	REAL300020149285	1	38	-2.0	-79.61	332.30	0.78	-78.83
CC1(CNC(=O)CCC2=N[N-]N=N2)CC[N@H+](CC2=CC=CC=C2)C1	REAL300020149286	0	48	0.0	-64.62	376.93	6.38	-58.24
CC1(CNC(=O)CCC2=N[N-]N=N2)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300020149286	1	48	0.0	-64.66	377.22	6.39	-58.27
CC1(CNC(=O)CCC2=NN=N[N-]2)CC[N@H+](CC2=CC=CC=C2)C1	REAL300020149286	1	48	0.0	-64.62	376.93	6.38	-58.24
CC1(CNC(=O)CCC2=NN=N[N-]2)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300020149286	1	48	0.0	-64.66	377.22	6.39	-58.27
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O=C(CCC1=NN=N[N-]1)N1CCCCC1C1CCCCC1O	REAL300020149287	1	46	-1.0	-40.38	331.26	2.87	-37.51
O=C(CCC1=N[N-]N=N1)NC1=CC=C(C2=NN=CS2)C=C1	REAL300020149288	0	31	-1.0	-45.35	290.92	2.37	-42.98
O=C(CCC1=NN=N[N-]1)NC1=CC=C(C2=NN=CS2)C=C1	REAL300020149288	1	31	-1.0	-45.39	290.98	2.38	-43.01
CC1CCC(O)C(C2CCCCN2C(=O)CCC2=N[N-]N=N2)C1	REAL300020149289	0	49	-1.0	-35.88	344.99	3.04	-32.84
CC1CCC(O)C(C2CCCCN2C(=O)CCC2=NN=N[N-]2)C1	REAL300020149289	1	49	-1.0	-35.90	345.05	3.05	-32.85
CC1=NC=CN1C1=CC=CC=C1CNC(=O)CCC1=N[N-]N=N1	REAL300020149290	0	39	-1.0	-44.96	330.38	4.74	-40.22
CC1=NC=CN1C1=CC=CC=C1CNC(=O)CCC1=NN=N[N-]1	REAL300020149290	1	39	-1.0	-45.02	330.46	4.76	-40.26
O=C(CCC1=NN=N[N-]1)N(CCC1=CC=CC=N1)CC1=CC=CN=C1	REAL300020149291	0	43	-1.0	-50.12	360.22	5.71	-44.41
O=C(CCC1=N[N-]N=N1)N(CCC1=CC=CC=N1)CC1=CC=CN=C1	REAL300020149291	1	43	-1.0	-50.04	360.16	5.70	-44.34
O=C(CCC1=N[N-]N=N1)NC1=CC=C(Cl)C(CN2CCOCC2)=C1	REAL300020149292	0	42	-1.0	-39.28	356.38	2.21	-37.07
O=C(CCC1=NN=N[N-]1)NC1=CC=C(Cl)C(CN2CCOCC2)=C1	REAL300020149292	1	42	-1.0	-39.29	356.44	2.22	-37.07
CC1=CC=C(N2CCOCC2)C=C1NC(=O)CCC1=N[N-]N=N1	REAL300020149293	0	42	-1.0	-41.96	333.28	2.26	-39.70
CC1=CC=C(N2CCOCC2)C=C1NC(=O)CCC1=NN=N[N-]1	REAL300020149293	1	42	-1.0	-41.93	333.34	2.28	-39.65
CC1=C(Br)C=CC(NC(=O)CCC2=N[N-]N=N2)=C1F	REAL300020149294	0	29	-1.0	-36.66	274.98	3.86	-32.80
CC1=C(Br)C=CC(NC(=O)CCC2=NN=N[N-]2)=C1F	REAL300020149294	1	29	-1.0	-36.67	275.04	3.87	-32.80
O=C(CCC1=N[N-]N=N1)N1CCC(O)(C2=CC=C(C3=CC=CC=C3)C=C2)CC1	REAL300020149295	0	50	-1.0	-42.29	391.86	6.69	-35.60
O=C(CCC1=NN=N[N-]1)N1CCC(O)(C2=CC=C(C3=CC=CC=C3)C=C2)CC1	REAL300020149295	1	50	-1.0	-42.30	391.91	6.71	-35.59
C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)CCC1=N[N-]N=N1	REAL300020149296	0	46	0.0	-62.44	336.06	3.90	-58.54
C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)CCC1=N[N-]N=N1	REAL300020149296	1	46	0.0	-62.08	337.85	4.07	-58.01
C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)CCC1=NN=N[N-]1	REAL300020149296	1	46	0.0	-62.44	336.06	3.90	-58.54
C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)CCC1=NN=N[N-]1	REAL300020149296	1	46	0.0	-62.08	337.85	4.07	-58.01
CC1=CC=C(C2(CNC(=O)CCC3=N[N-]N=N3)CCC2)C=C1C	REAL300020149297	0	45	-1.0	-39.43	358.24	6.35	-33.08
CC1=CC=C(C2(CNC(=O)CCC3=NN=N[N-]3)CCC2)C=C1C	REAL300020149297	1	45	-1.0	-39.45	358.29	6.37	-33.08
CCOC1CC(CNC(=O)CCC2=N[N-]N=N2)(N2CCOCC2)C1	REAL300020149298	0	49	-1.0	-39.10	377.91	-0.01	-39.11
CCOC1CC(CNC(=O)CCC2=NN=N[N-]2)(N2CCOCC2)C1	REAL300020149298	1	49	-1.0	-39.12	377.96	0.00	-39.12
CCS(=O)(=O)C1=CC=C(CNC(=O)CCC2=N[N-]N=N2)C=C1	REAL300020149299	0	38	-1.0	-46.52	339.75	1.12	-45.40
CCS(=O)(=O)C1=CC=C(CNC(=O)CCC2=NN=N[N-]2)C=C1	REAL300020149299	1	38	-1.0	-46.54	339.80	1.13	-45.41
O=C(CCC1=NN=N[N-]1)NC1=CC=C(NC2=NC=CC=N2)C=C1	REAL300020149300	0	36	-1.0	-45.03	313.40	5.17	-39.86
O=C(CCC1=N[N-]N=N1)NC1=CC=C(NC2=NC=CC=N2)C=C1	REAL300020149300	1	36	-1.0	-45.00	313.34	5.15	-39.85
CN1C=C(CN(CC2=CC=C(Cl)C=C2)C(=O)CCC2=NN=N[N-]2)C=N1	REAL300020149301	0	42	-1.0	-49.09	370.42	6.90	-42.19
CN1C=C(CN(CC2=CC=C(Cl)C=C2)C(=O)CCC2=N[N-]N=N2)C=N1	REAL300020149301	1	42	-1.0	-49.07	370.36	6.89	-42.18
CC(C)(C)OC(=O)N1C[C@H]2CN(C(=O)CCC3=N[N-]N=N3)C[C@H]2C1	REAL300020149302	0	47	-1.0	-43.76	368.23	4.06	-39.70
CC(C)(C)OC(=O)N1C[C@H]2CN(C(=O)CCC3=NN=N[N-]3)C[C@H]2C1	REAL300020149302	1	47	-1.0	-43.76	368.29	4.08	-39.68
COC1=CC=CC=C1CCNC(=O)CNC(=O)CCC1=N[N-]N=N1	REAL300020149303	0	43	-1.0	-44.45	366.38	1.32	-43.13
COC1=CC=CC=C1CCNC(=O)CNC(=O)CCC1=NN=N[N-]1	REAL300020149303	1	43	-1.0	-44.48	366.43	1.33	-43.15
O=C(CCC1=NN=N[N-]1)NC1=CC=CC(C2=NOC(C3CC3)=N2)=C1	REAL300020149304	0	38	-1.0	-48.60	335.75	3.49	-45.11
O=C(CCC1=N[N-]N=N1)NC1=CC=CC(C2=NOC(C3CC3)=N2)=C1	REAL300020149304	1	38	-1.0	-48.59	335.69	3.47	-45.12
CCOC(=O)C1=NNC(C2=CC=CC(CNC(=O)CCC3=N[N-]N=N3)=C2)=N1	REAL300020149305	0	44	-1.0	-49.99	390.01	4.30	-45.69
COCCOC1CC(CO)CN(C(=O)CCC2=N[N-]N=N2)C1	REAL300020149306	0	44	-1.0	-42.54	355.33	-0.68	-43.22
COCCOC1CC(CO)CN(C(=O)CCC2=NN=N[N-]2)C1	REAL300020149306	1	44	-1.0	-42.57	355.39	-0.66	-43.23
O=C(CCC1=N[N-]N=N1)NC1=CC=C(Cl)C=C1C1=CC=CC2=CC=CC=C21	REAL300020149307	0	42	-1.0	-39.15	369.18	9.17	-29.98
O=C(CCC1=NN=N[N-]1)NC1=CC=C(Cl)C=C1C1=CC=CC2=CC=CC=C21	REAL300020149307	1	42	-1.0	-39.08	369.23	9.18	-29.90
O=C(CCC1=N[N-]N=N1)NC1=CC=C(Cl)C=C1C1=CC=CC=C1Cl	REAL300020149308	0	36	-1.0	-39.63	340.54	7.57	-32.06
O=C(CCC1=NN=N[N-]1)NC1=CC=C(Cl)C=C1C1=CC=CC=C1Cl	REAL300020149308	1	36	-1.0	-39.65	340.60	7.58	-32.07
O=C(CCC1=N[N-]N=N1)NC1=CC=C(Cl)C=C1C1=CC=CC(Cl)=C1	REAL300020149309	0	36	-1.0	-38.93	340.96	7.59	-31.34
O=C(CCC1=NN=N[N-]1)NC1=CC=C(Cl)C=C1C1=CC=CC(Cl)=C1	REAL300020149309	1	36	-1.0	-38.91	341.01	7.60	-31.31
O=C(CCC1=N[N-]N=N1)N1CCCC(N2CCCS2(=O)=O)C1	REAL300020149310	0	41	-1.0	-53.88	335.76	0.92	-52.96
O=C(CCC1=NN=N[N-]1)N1CCCC(N2CCCS2(=O)=O)C1	REAL300020149310	1	41	-1.0	-53.87	335.81	0.94	-52.93
CCCC1(C(=O)OCC)CCCN1C(=O)CCC1=N[N-]N=N1	REAL300020149311	0	44	-1.0	-45.03	351.59	6.53	-38.50
CCCC1(C(=O)OCC)CCCN1C(=O)CCC1=NN=N[N-]1	REAL300020149311	1	44	-1.0	-45.04	351.65	6.55	-38.49
CCCC1=C(NC(=O)CCC2=N[N-]N=N2)C=NN1C1=CC=CC(C)=C1	REAL300020149312	0	45	-1.0	-43.82	371.75	6.32	-37.50
CCCC1=C(NC(=O)CCC2=NN=N[N-]2)C=NN1C1=CC=CC(C)=C1	REAL300020149312	1	45	-1.0	-43.84	371.80	6.34	-37.50
CN1N=C(C2=CC(F)=CC(F)=C2)C=C1NC(=O)CCC1=NN=N[N-]1	REAL300020149313	0	36	-1.0	-40.45	324.24	4.96	-35.49
CN1N=C(C2=CC(F)=CC(F)=C2)C=C1NC(=O)CCC1=N[N-]N=N1	REAL300020149313	1	36	-1.0	-40.48	324.18	4.94	-35.54
CCS(=O)(=O)C1CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300020149314	0	38	-1.0	-49.99	315.97	1.04	-48.95
CCS(=O)(=O)C1CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020149314	1	38	-1.0	-49.97	316.03	1.05	-48.92
CN(C)CC1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1Cl	REAL300020149315	0	37	-1.0	-41.59	324.33	2.59	-39.00
C[NH+](C)CC1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1Cl	REAL300020149315	1	38	0.0	-63.62	323.99	4.97	-58.65
CN(C)CC1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1Cl	REAL300020149315	1	37	-1.0	-41.59	324.33	2.59	-39.00
C[NH+](C)CC1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1Cl	REAL300020149315	1	38	0.0	-63.62	323.99	4.97	-58.65
O=C(CCC1=NN=N[N-]1)NCC1=NC(C2=CC=CC=C2F)=CS1	REAL300020149316	0	35	-1.0	-45.87	325.17	3.70	-42.17
O=C(CCC1=N[N-]N=N1)NCC1=NC(C2=CC=CC=C2F)=CS1	REAL300020149316	1	35	-1.0	-45.88	325.11	3.69	-42.19
CNC(=O)C1=CC2=CC(NC(=O)CCC3=N[N-]N=N3)=CC=C2N1	REAL300020149317	0	37	-1.0	-45.07	322.08	0.79	-44.28
CNC(=O)C1=CC2=CC(NC(=O)CCC3=NN=N[N-]3)=CC=C2N1	REAL300020149317	1	37	-1.0	-45.07	322.14	0.80	-44.27
CC(NC(=O)CCC1=N[N-]N=N1)C1=CC=C(Br)C=N1	REAL300020149318	0	31	-1.0	-39.42	292.81	2.54	-36.88
CC(NC(=O)CCC1=NN=N[N-]1)C1=CC=C(Br)C=N1	REAL300020149318	1	31	-1.0	-39.48	292.87	2.55	-36.93
O=C(CCC1=N[N-]N=N1)NC1=CC=CC=C1N1CC2CCC1C2	REAL300020149319	0	42	-1.0	-39.72	321.60	4.17	-35.55
O=C(CCC1=NN=N[N-]1)NC1=CC=CC=C1N1CC2CCC1C2	REAL300020149319	1	42	-1.0	-39.75	321.66	4.19	-35.56
COC1CCOC2=C(NC(=O)CCC3=N[N-]N=N3)C=CC=C21	REAL300020149320	0	38	-1.0	-41.35	315.47	2.42	-38.93
COC1CCOC2=C(NC(=O)CCC3=NN=N[N-]3)C=CC=C21	REAL300020149320	1	38	-1.0	-41.36	315.53	2.44	-38.92
CCCCCCCC1(C)NC(=O)N(NC(=O)CCC2=N[N-]N=N2)C1=O	REAL300020149321	0	49	-1.0	-46.73	402.86	3.30	-43.43
CCCCCCCC1(C)NC(=O)N(NC(=O)CCC2=NN=N[N-]2)C1=O	REAL300020149321	1	49	-1.0	-46.72	402.91	3.31	-43.41
COC1=CC=CC(C2(C)NC(=O)N(NC(=O)CCC3=N[N-]N=N3)C2=O)=C1	REAL300020149322	0	42	-1.0	-47.98	361.54	1.04	-46.94
COC1=CC=CC(C2(C)NC(=O)N(NC(=O)CCC3=NN=N[N-]3)C2=O)=C1	REAL300020149322	1	42	-1.0	-47.93	361.59	1.06	-46.87
O=C(CCC1=NN=N[N-]1)NC1=CC=CC=C1NC1=CC=[NH+]C=C1	REAL300020149323	0	38	0.0	-64.49	315.76	3.91	-60.58
O=C(CCC1=N[N-]N=N1)NC1=CC=CC=C1NC1=CC=[NH+]C=C1	REAL300020149323	1	38	0.0	-64.46	315.70	3.89	-60.57
CC1=CC(CNC(=O)CCC2=N[N-]N=N2)=CC=C1S(N)(=O)=O	REAL300020149324	0	37	-1.0	-45.49	327.30	-1.60	-47.09
CC1=CC(CNC(=O)CCC2=NN=N[N-]2)=CC=C1S(N)(=O)=O	REAL300020149324	1	37	-1.0	-45.48	327.36	-1.59	-47.07
CC1=CC(NC(=O)CCC2=N[N-]N=N2)=CC=C1OC1=CC=NC=C1	REAL300020149325	0	39	-1.0	-41.06	334.96	4.33	-36.73
CC1=CC(NC(=O)CCC2=NN=N[N-]2)=CC=C1OC1=CC=NC=C1	REAL300020149325	1	39	-1.0	-41.10	335.02	4.35	-36.75
O=C(CCC1=N[N-]N=N1)N1CCCCC1C1=NC(C2=CC=CC(F)=C2)=CN1	REAL300020149326	0	46	-1.0	-46.12	374.98	6.30	-39.82
O=C(CCC1=NN=N[N-]1)N1CCCCC1C1=NC(C2=CC=CC(F)=C2)=CN1	REAL300020149326	1	46	-1.0	-46.15	375.04	6.32	-39.83
O=C(CCC1=NN=N[N-]1)NC1=CC=C(C2=CC=C(Cl)C=C2Cl)N=C1	REAL300020149327	0	35	-1.0	-39.69	337.86	5.63	-34.06
O=C(CCC1=N[N-]N=N1)NC1=CC=C(C2=CC=C(Cl)C=C2Cl)N=C1	REAL300020149327	1	35	-1.0	-39.70	337.80	5.62	-34.08
CCN1C=C(C2CS(=O)CCN2C(=O)CCC2=N[N-]N=N2)C=N1	REAL300020149328	0	41	-1.0	-48.35	340.66	1.93	-46.42
CCN1C=C(C2CS(=O)CCN2C(=O)CCC2=NN=N[N-]2)C=N1	REAL300020149328	1	41	-1.0	-48.35	340.72	1.95	-46.40
O=C(CCC1=N[N-]N=N1)NC1CCN(C2=CC=C(Cl)C=C2Cl)C1	REAL300020149329	0	38	-1.0	-39.47	345.09	3.87	-35.60
O=C(CCC1=NN=N[N-]1)NC1CCN(C2=CC=C(Cl)C=C2Cl)C1	REAL300020149329	1	38	-1.0	-39.46	345.14	3.88	-35.58
CC(CCC1=CC=C(I)C=C1)NC(=O)CCC1=N[N-]N=N1	REAL300020149330	0	38	-1.0	-39.68	348.12	6.34	-33.34
CC(CCC1=CC=C(I)C=C1)NC(=O)CCC1=NN=N[N-]1	REAL300020149330	1	38	-1.0	-39.69	348.18	6.36	-33.33
CC1=CC=CC(CC2(O)CCN(C(=O)CCC3=N[N-]N=N3)CC2)=C1	REAL300020149331	0	46	-1.0	-39.60	359.86	4.62	-34.98
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CCC1=C(NC(=O)CCC2=N[N-]N=N2)C=NN1C1=CC=CC=C1C	REAL300020149375	0	42	-1.0	-43.48	347.46	5.85	-37.63
CCC1=C(NC(=O)CCC2=NN=N[N-]2)C=NN1C1=CC=CC=C1C	REAL300020149375	1	42	-1.0	-43.48	347.52	5.86	-37.62
CCC1=C(NC(=O)CCC2=N[N-]N=N2)C=NN1C1=CC=CC(C)=C1	REAL300020149376	0	42	-1.0	-44.19	350.70	5.56	-38.63
CCC1=C(NC(=O)CCC2=NN=N[N-]2)C=NN1C1=CC=CC(C)=C1	REAL300020149376	1	42	-1.0	-44.18	350.76	5.58	-38.60
CCC1=C(NC(=O)CCC2=N[N-]N=N2)C=NN1C(CC)CC	REAL300020149377	0	44	-1.0	-43.33	354.91	4.61	-38.72
CCC1=C(NC(=O)CCC2=NN=N[N-]2)C=NN1C(CC)CC	REAL300020149377	1	44	-1.0	-43.38	354.97	4.63	-38.75
CC(C)C1=C(NC(=O)CCC2=N[N-]N=N2)C=NN1C1=CC=CC=C1Cl	REAL300020149378	0	42	-1.0	-45.35	357.39	6.42	-38.93
CC(C)C1=C(NC(=O)CCC2=NN=N[N-]2)C=NN1C1=CC=CC=C1Cl	REAL300020149378	1	42	-1.0	-45.35	357.45	6.43	-38.92
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CCCCN1N=CC(NC(=O)CCC2=NN=N[N-]2)=C1C(C)C	REAL300020149380	1	44	-1.0	-42.64	350.96	4.80	-37.84
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CC(C)(C)OC(=O)NCCCN(CC1=CC=CC=C1)C(=O)CCC1=N[N-]N=N1	REAL300020149382	0	55	-1.0	-45.03	438.87	6.09	-38.94
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COC1=CC(NC(=O)CCC2=N[N-]N=N2)=CC(N2C=CC=N2)=C1	REAL300020149459	1	37	-1.0	-47.99	319.59	3.07	-44.92
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CCC1(C2=CC=C(Cl)C=C2)CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300020149469	0	45	-1.0	-39.62	354.76	7.39	-32.23
CCC1(C2=CC=C(Cl)C=C2)CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020149469	1	45	-1.0	-39.62	354.82	7.41	-32.21
CCOC(=O)C(NC(=O)CCC1=N[N-]N=N1)C1=CC=C(Cl)C=C1	REAL300020149470	0	38	-1.0	-42.39	347.83	5.20	-37.19
CCOC(=O)C(NC(=O)CCC1=NN=N[N-]1)C1=CC=C(Cl)C=C1	REAL300020149470	1	38	-1.0	-42.37	347.88	5.21	-37.16
CC(C)(CO)C(NC(=O)CCC1=N[N-]N=N1)C1=CC=CC=C1	REAL300020149471	0	42	-1.0	-42.33	334.69	2.38	-39.95
CC(C)(CO)C(NC(=O)CCC1=NN=N[N-]1)C1=CC=CC=C1	REAL300020149471	1	42	-1.0	-42.35	334.74	2.39	-39.96
COCCCCC(NC(=O)CCC1=N[N-]N=N1)C1=CC=CC=C1	REAL300020149472	0	45	-1.0	-40.98	374.32	5.32	-35.66
COCCCCC(NC(=O)CCC1=NN=N[N-]1)C1=CC=CC=C1	REAL300020149472	1	45	-1.0	-40.94	374.37	5.34	-35.60
COC1=CC=C(N(CCC(C)C)C(=O)CCC2=N[N-]N=N2)C=C1	REAL300020149473	0	45	-1.0	-40.97	363.24	6.48	-34.49
COC1=CC=C(N(CCC(C)C)C(=O)CCC2=NN=N[N-]2)C=C1	REAL300020149473	1	45	-1.0	-40.95	363.30	6.50	-34.45
C[C@@H](NC(=O)CCC1=N[N-]N=N1)C1=CC=C(Cl)C(Cl)=C1	REAL300020149474	0	32	-1.0	-39.00	306.98	4.51	-34.49
C[C@@H](NC(=O)CCC1=NN=N[N-]1)C1=CC=C(Cl)C(Cl)=C1	REAL300020149474	1	32	-1.0	-38.98	307.04	4.52	-34.46
O=C(CCC1=N[N-]N=N1)NCC1=CC=CC(OCC(F)(F)F)=N1	REAL300020149475	0	35	-1.0	-41.16	326.18	0.73	-40.43
O=C(CCC1=NN=N[N-]1)NCC1=CC=CC(OCC(F)(F)F)=N1	REAL300020149475	1	35	-1.0	-41.16	326.24	0.75	-40.41
O=C(CCC1=N[N-]N=N1)NCC1=CC=NC(OC2=CC=CC=C2F)=C1	REAL300020149476	0	39	-1.0	-44.61	351.07	3.04	-41.57
O=C(CCC1=NN=N[N-]1)NCC1=CC=NC(OC2=CC=CC=C2F)=C1	REAL300020149476	1	39	-1.0	-44.63	351.13	3.06	-41.57
CCNC(=O)NC1=CC=CC(NC(=O)CCC2=N[N-]N=N2)=C1C	REAL300020149477	0	41	-1.0	-45.97	339.11	2.04	-43.93
CCNC(=O)NC1=CC=CC(NC(=O)CCC2=NN=N[N-]2)=C1C	REAL300020149477	1	41	-1.0	-46.01	339.16	2.06	-43.95
CCOC(=O)C1=CSC(C2CCCN2C(=O)CCC2=N[N-]N=N2)=N1	REAL300020149478	0	41	-1.0	-45.99	363.12	4.42	-41.57
CCOC(=O)C1=CSC(C2CCCN2C(=O)CCC2=NN=N[N-]2)=N1	REAL300020149478	1	41	-1.0	-46.00	363.18	4.43	-41.57
COC(=O)C(CNC(=O)CCC1=N[N-]N=N1)C1=CC=C(F)C=C1	REAL300020149479	0	38	-1.0	-43.96	336.33	4.35	-39.61
COC(=O)C(CNC(=O)CCC1=NN=N[N-]1)C1=CC=C(F)C=C1	REAL300020149479	1	38	-1.0	-43.95	336.39	4.36	-39.59
CC1(C2=CC=C(Cl)C=C2)CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300020149480	0	42	-1.0	-39.89	338.52	6.88	-33.01
CC1(C2=CC=C(Cl)C=C2)CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020149480	1	42	-1.0	-39.88	338.58	6.90	-32.98
O=C(CCC1=NN=N[N-]1)NC1=CC=C(N2CCCCC2)C2=NC=CC=C12	REAL300020149481	0	46	-1.0	-42.11	366.08	4.73	-37.38
O=C(CCC1=N[N-]N=N1)NC1=CC=C(N2CCCCC2)C2=NC=CC=C12	REAL300020149481	1	46	-1.0	-42.07	366.02	4.71	-37.36
O=C(CCC1=N[N-]N=N1)[N-]C1=NN=C(C2=CC=C(Cl)C=C2F)S1	REAL300020149482	0	30	-2.0	-92.86	310.61	3.20	-89.66
O=C(CCC1=NN=N[N-]1)[N-]C1=NN=C(C2=CC=C(Cl)C=C2F)S1	REAL300020149482	1	30	-2.0	-92.86	310.67	3.21	-89.65
O=C(CCC1=N[N-]N=N1)N[C@@H]1C[C@H]1C1=CC=C(Br)C(F)=C1	REAL300020149483	0	33	-1.0	-41.21	312.20	4.78	-36.43
O=C(CCC1=NN=N[N-]1)N[C@@H]1C[C@H]1C1=CC=C(Br)C(F)=C1	REAL300020149483	1	33	-1.0	-41.23	312.26	4.80	-36.43
CN1C=C(C2CSCCN2C(=O)CCC2=NN=N[N-]2)C=N1	REAL300020149484	0	37	-1.0	-41.84	309.71	3.72	-38.12
CN1C=C(C2CSCCN2C(=O)CCC2=N[N-]N=N2)C=N1	REAL300020149484	1	37	-1.0	-41.82	309.65	3.71	-38.11
O=C(CCC1=N[N-]N=N1)N(CC1=CC=C(F)C=C1)C1CCOCC1	REAL300020149485	0	43	-1.0	-44.24	344.90	5.71	-38.53
O=C(CCC1=NN=N[N-]1)N(CC1=CC=C(F)C=C1)C1CCOCC1	REAL300020149485	1	43	-1.0	-44.23	344.96	5.72	-38.51
COC1=NC(Br)=CC=C1NC(=O)CCC1=NN=N[N-]1	REAL300020149486	0	29	-1.0	-37.53	278.68	-0.06	-37.59
COC1=NC(Br)=CC=C1NC(=O)CCC1=N[N-]N=N1	REAL300020149486	1	29	-1.0	-37.53	278.62	-0.08	-37.61
O=C(CCC1=N[N-]N=N1)NC1(C2=CC(C(F)(F)F)=CC=C2Cl)CC1	REAL300020149487	0	36	-1.0	-39.86	336.01	5.26	-34.60
O=C(CCC1=NN=N[N-]1)NC1(C2=CC(C(F)(F)F)=CC=C2Cl)CC1	REAL300020149487	1	36	-1.0	-39.87	336.06	5.27	-34.60
COCC(CC1=CC=CC=C1)N(C)C(=O)CCC1=N[N-]N=N1	REAL300020149488	0	42	-1.0	-40.56	340.57	5.78	-34.78
COCC(CC1=CC=CC=C1)N(C)C(=O)CCC1=NN=N[N-]1	REAL300020149488	1	42	-1.0	-40.57	340.63	5.79	-34.78
O=C(CCC1=N[N-]N=N1)NC1CCCN(C2=CC=C(Cl)C=C2Cl)C1	REAL300020149489	0	41	-1.0	-41.24	358.79	4.41	-36.83
O=C(CCC1=NN=N[N-]1)NC1CCCN(C2=CC=C(Cl)C=C2Cl)C1	REAL300020149489	1	41	-1.0	-41.28	358.85	4.43	-36.85
O=C(CCC1=N[N-]N=N1)N[C@@H](C1=CC=C(F)C=C1)C(F)(F)F	REAL300020149490	0	32	-1.0	-39.28	296.06	3.92	-35.36
O=C(CCC1=NN=N[N-]1)N[C@@H](C1=CC=C(F)C=C1)C(F)(F)F	REAL300020149490	1	32	-1.0	-39.30	296.12	3.93	-35.37
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CC1=NC(NC(=O)CCC2=NN=N[N-]2)=C(C(=O)NCCO)N1C	REAL300020149491	1	40	-1.0	-51.63	348.06	-1.48	-53.11
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CC1CC[NH+](CC2=CC=CC=C2CNC(=O)CCC2=NN=N[N-]2)CC1	REAL300020149510	1	51	0.0	-54.77	388.25	7.93	-46.84
CN(C(=O)CCC1=N[N-]N=N1)C1CCN(CC2=CC=CC=C2)C1=O	REAL300020149511	0	43	-1.0	-49.25	354.75	5.63	-43.62
CN(C(=O)CCC1=NN=N[N-]1)C1CCN(CC2=CC=CC=C2)C1=O	REAL300020149511	1	43	-1.0	-49.24	354.80	5.64	-43.60
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COCCN(CC1=CC(Br)=CS1)C(=O)CCC1=N[N-]N=N1	REAL300020149513	0	36	-1.0	-43.29	336.42	4.87	-38.42
COCCN(CC1=CC(Br)=CS1)C(=O)CCC1=NN=N[N-]1	REAL300020149513	1	36	-1.0	-43.31	336.48	4.89	-38.42
COC1=CC=C(C2(C)NC(=O)N(NC(=O)CCC3=N[N-]N=N3)C2=O)C=C1	REAL300020149514	0	42	-1.0	-47.25	361.48	1.05	-46.20
COC1=CC=C(C2(C)NC(=O)N(NC(=O)CCC3=NN=N[N-]3)C2=O)C=C1	REAL300020149514	1	42	-1.0	-47.21	361.54	1.07	-46.14
COC(=O)C1=CC(NC(=O)CCC2=N[N-]N=N2)=C(C)C=C1Br	REAL300020149515	0	35	-1.0	-42.12	320.31	4.56	-37.56
COC(=O)C1=CC(NC(=O)CCC2=NN=N[N-]2)=C(C)C=C1Br	REAL300020149515	1	35	-1.0	-42.16	320.37	4.57	-37.59
CC(C)(C)OC(=O)N[C@H]1CCC2=C(C1)SC(NC(=O)CCC1=N[N-]N=N1)=N2	REAL300020149516	0	49	-1.0	-46.55	407.45	3.53	-43.02
CC(C)(C)OC(=O)N[C@H]1CCC2=C(C1)SC(NC(=O)CCC1=NN=N[N-]1)=N2	REAL300020149516	1	49	-1.0	-46.55	407.50	3.55	-43.00
C#CCNC(=O)CN1CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300020149517	0	40	-1.0	-44.49	334.64	0.25	-44.24
C#CCNC(=O)CN1CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020149517	1	40	-1.0	-44.49	334.70	0.26	-44.23
CCC(C1=CC=CC(OC)=C1)N(C)C(=O)CCC1=N[N-]N=N1	REAL300020149518	0	42	-1.0	-40.61	336.72	6.10	-34.51
CCC(C1=CC=CC(OC)=C1)N(C)C(=O)CCC1=NN=N[N-]1	REAL300020149518	1	42	-1.0	-40.61	336.78	6.13	-34.48
CC(NC(=O)CCC1=NN=N[N-]1)C1=CC=C(OC2=CC=CN=C2)C=C1	REAL300020149519	0	42	-1.0	-42.99	358.68	4.60	-38.39
CC(NC(=O)CCC1=N[N-]N=N1)C1=CC=C(OC2=CC=CN=C2)C=C1	REAL300020149519	1	42	-1.0	-42.97	358.62	4.59	-38.38
O=C(CCC1=NN=N[N-]1)NC1=NC=C(C2=CC=C(Cl)C=C2)S1	REAL300020149520	0	32	-1.0	-42.64	312.74	5.37	-37.27
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CCN(CC)C(=O)OCC1CCCCN1C(=O)CCC1=N[N-]N=N1	REAL300020149521	0	49	-1.0	-45.12	379.03	6.38	-38.74
CCN(CC)C(=O)OCC1CCCCN1C(=O)CCC1=NN=N[N-]1	REAL300020149521	1	49	-1.0	-45.16	379.09	6.39	-38.77
CN(CC(N)=O)C(=O)C1=CC=CC(NC(=O)CCC2=N[N-]N=N2)=C1	REAL300020149522	0	40	-1.0	-50.58	341.96	-0.15	-50.73
CN(CC(N)=O)C(=O)C1=CC=CC(NC(=O)CCC2=NN=N[N-]2)=C1	REAL300020149522	1	40	-1.0	-50.55	342.01	-0.13	-50.68
NC(=O)C(CC1=CC=C(Cl)C=C1)NC(=O)CCC1=N[N-]N=N1	REAL300020149523	0	36	-1.0	-49.10	329.01	1.21	-47.89
NC(=O)C(CC1=CC=C(Cl)C=C1)NC(=O)CCC1=NN=N[N-]1	REAL300020149523	1	36	-1.0	-49.08	329.08	1.22	-47.86
CC(NC(=O)CCC1=N[N-]N=N1)C1=CC=C(Br)C=C1F	REAL300020149524	0	32	-1.0	-39.57	300.84	4.25	-35.32
CC(NC(=O)CCC1=NN=N[N-]1)C1=CC=C(Br)C=C1F	REAL300020149524	1	32	-1.0	-39.59	300.90	4.27	-35.32
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COC(=O)[C@@H](C)N(CC1=CC=CC=C1)C(=O)CCC1=N[N-]N=N1	REAL300020149526	0	41	-1.0	-45.87	336.02	6.06	-39.81
COC(=O)[C@@H](C)N(CC1=CC=CC=C1)C(=O)CCC1=NN=N[N-]1	REAL300020149526	1	41	-1.0	-45.84	336.07	6.08	-39.76
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CC1=CC(I)=CC(NC(=O)CCC2=N[N-]N=N2)=C1	REAL300020149528	0	29	-1.0	-39.98	280.68	4.35	-35.63
CC1=CC(I)=CC(NC(=O)CCC2=NN=N[N-]2)=C1	REAL300020149528	1	29	-1.0	-40.00	280.73	4.36	-35.64
CC1=NOC(COC2=CC=C(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=N2)=N1	REAL300020156756	0	44	-1.0	-43.46	389.06	1.86	-41.60
CC1=NOC(COC2=CC=C(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=N2)=N1	REAL300020156756	1	44	-1.0	-43.43	389.01	1.83	-41.60
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CC1=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C(C)N1C1CCCOC1	REAL300020156761	0	51	-1.0	-43.16	398.47	6.76	-36.40
CC1=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C(C)N1C1CCCOC1	REAL300020156761	1	51	-1.0	-43.14	398.41	6.74	-36.40
CC1=C2C=C(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)NC2=C(F)C=C1	REAL300020156762	0	40	-1.0	-41.55	349.60	6.19	-35.36
CC1=C2C=C(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)NC2=C(F)C=C1	REAL300020156762	1	40	-1.0	-41.55	349.54	6.17	-35.38
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CC1=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C(C)N1CC1CCCOC1	REAL300020156764	0	54	-1.0	-48.74	419.90	7.58	-41.16
CC1=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C(C)N1CC1CCCOC1	REAL300020156764	1	54	-1.0	-48.78	419.85	7.55	-41.23
CCOC(C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)C(C)C	REAL300020156765	0	42	-1.0	-45.78	345.97	5.62	-40.16
CCOC(C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)C(C)C	REAL300020156765	1	42	-1.0	-45.73	345.91	5.60	-40.13
CC1=NOC(C2(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)CCOCC2)=C1	REAL300020156766	0	46	-1.0	-40.72	370.75	5.04	-35.68
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CC(=O)N[C@@H](C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)C(C)C	REAL300020156769	1	42	-1.0	-41.99	343.77	3.17	-38.82
CC(C)[C@H](NC=O)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020156770	0	39	-1.0	-43.29	317.58	2.66	-40.63
CC(C)[C@H](NC=O)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020156770	1	39	-1.0	-43.24	317.52	2.64	-40.60
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CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020156772	0	51	-1.0	-51.05	412.49	3.90	-47.15
CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020156772	1	51	-1.0	-51.05	412.55	3.94	-47.11
CC(C)(C)OC1=CC=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020156773	0	45	-1.0	-49.02	371.77	5.96	-43.06
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CCOC(C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1CCOCC1	REAL300020157013	1	47	-1.0	-42.53	378.57	5.06	-37.47
CCOC(C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1CCCC1	REAL300020157014	0	46	-1.0	-41.70	362.08	6.88	-34.82
CCOC(C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1CCCC1	REAL300020157014	1	46	-1.0	-41.71	362.02	6.86	-34.85
CC1(C)CC2=CC=C(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=C2O1	REAL300020157015	0	44	-1.0	-43.94	365.90	6.78	-37.16
CC1(C)CC2=CC=C(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=C2O1	REAL300020157015	1	44	-1.0	-43.90	365.85	6.76	-37.14
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=C(F)C=CC=C1[N+](=O)[O-]	REAL300020157016	0	35	-1.0	-57.59	323.14	6.32	-51.27
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COC(=O)C1=CC=C(CC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=N1	REAL300020157017	0	41	-1.0	-47.24	363.86	5.06	-42.18
COC(=O)C1=CC=C(CC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=N1	REAL300020157017	1	41	-1.0	-47.24	363.80	5.04	-42.20
CC(=O)NC1=CC=CN=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020157018	0	39	-1.0	-47.63	336.65	3.23	-44.40
CC(=O)NC1=CC=CN=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020157018	1	39	-1.0	-47.60	336.60	3.21	-44.39
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N#CCC1=CC=CC=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020157019	1	37	-1.0	-56.56	323.56	6.60	-49.96
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=NC=C1N1CCOCC1	REAL300020157020	0	45	-1.0	-53.82	369.35	3.80	-50.02
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=NC=C1N1CCOCC1	REAL300020157020	1	45	-1.0	-53.83	369.29	3.77	-50.06
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CCN1N=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1C	REAL300020157023	1	39	-1.0	-44.89	330.67	4.65	-40.24
COC1CCN(CC2=CN(C)N=C2C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C1	REAL300020157024	0	52	-1.0	-48.83	426.66	3.02	-45.81
COC1CCN(CC2=CN(C)N=C2C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C1	REAL300020157024	1	52	-1.0	-48.83	426.72	3.05	-45.78
COC1CC[N@H+](CC2=CN(C)N=C2C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C1	REAL300020157024	1	53	0.0	-60.16	428.05	5.41	-54.75
COC1CC[N@@H+](CC2=CN(C)N=C2C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C1	REAL300020157024	1	53	0.0	-61.52	428.67	5.58	-55.94
CN1C=C(CN2CCC(O)C2)C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020157025	0	49	-1.0	-58.90	390.20	-0.18	-59.08
CN1C=C(CN2CCC(O)C2)C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020157025	1	49	-1.0	-58.91	390.25	-0.15	-59.06
CN1C=C(C[N@@H+]2CCC(O)C2)C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020157025	1	50	0.0	-57.14	407.16	3.24	-53.90
CN1C=C(C[N@H+]2CCC(O)C2)C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020157025	1	50	0.0	-63.34	408.06	3.20	-60.14
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C[C@H]1CC[C@H](C2=NC(CC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=CS2)CC1	REAL300020157111	0	51	-1.0	-43.18	423.45	7.72	-35.46
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CC(C)(C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300020157114	1	45	-1.0	-40.90	383.13	8.14	-32.76
CC(C)(C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C(F)C=C1F	REAL300020157115	0	42	-1.0	-53.33	352.61	7.23	-46.10
CC(C)(C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C(F)C=C1F	REAL300020157115	1	42	-1.0	-53.32	352.55	7.20	-46.12
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COC(=O)C1=NN(CC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020157116	1	39	-1.0	-52.38	349.43	4.31	-48.07
COC(=O)C1=NN(CCCC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020157117	0	45	-1.0	-52.55	393.11	5.71	-46.84
COC(=O)C1=NN(CCCC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020157117	1	45	-1.0	-52.51	393.05	5.68	-46.83
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NC1=CC(F)=CC=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020157124	0	35	-1.0	-39.00	304.75	3.86	-35.14
NC1=CC(F)=CC=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020157124	1	35	-1.0	-39.00	304.69	3.84	-35.16
COC(=O)C1=CC=CC=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020157125	0	39	-1.0	-54.42	341.59	6.79	-47.63
COC(=O)C1=CC=CC=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020157125	1	39	-1.0	-54.42	341.53	6.76	-47.66
CS(=O)(=O)C1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(N)=C1	REAL300020157126	0	41	-1.0	-55.96	359.44	1.31	-54.65
CS(=O)(=O)C1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(N)=C1	REAL300020157126	1	41	-1.0	-55.96	359.38	1.28	-54.68
[N-]=[N+]=NC1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020157127	0	35	-1.0	-49.92	316.71	3.35	-46.57
[N-]=[N+]=NC1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020157127	1	35	-1.0	-49.96	316.65	3.33	-46.63
C=CC(=O)NC1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020157128	0	41	-1.0	-62.18	356.79	4.99	-57.19
C=CC(=O)NC1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020157128	1	41	-1.0	-62.14	356.73	4.97	-57.17
NC1=CC(Br)=CC=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020157129	0	35	-1.0	-38.78	319.63	4.42	-34.36
NC1=CC(Br)=CC=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020157129	1	35	-1.0	-38.75	319.57	4.39	-34.36
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C(N2C=CC=C2)C=C1O	REAL300020157130	0	42	-1.0	-55.31	358.14	6.78	-48.53
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C(N2C=CC=C2)C=C1O	REAL300020157130	1	42	-1.0	-55.29	358.08	6.75	-48.54
[N-]=[N+]=NC1=CC=CC=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020157131	0	35	-1.0	-56.84	314.82	3.55	-53.29
[N-]=[N+]=NC1=CC=CC=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020157131	1	35	-1.0	-56.83	314.76	3.53	-53.30
CCS(=O)(=O)C1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(N)=C1	REAL300020157132	0	44	-1.0	-54.94	380.90	2.20	-52.74
CCS(=O)(=O)C1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(N)=C1	REAL300020157132	1	44	-1.0	-54.97	380.85	2.18	-52.79
[N-]=[N+]=NCC1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020157133	0	38	-1.0	-42.30	340.16	2.83	-39.47
[N-]=[N+]=NCC1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020157133	1	38	-1.0	-42.27	340.10	2.81	-39.46
COC(=O)CCC1=CC=CC=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020157134	0	45	-1.0	-58.30	378.05	7.73	-50.57
COC(=O)CCC1=CC=CC=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020157134	1	45	-1.0	-58.30	378.00	7.71	-50.59
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C(C2CCC(=O)N2)C=C1	REAL300020157135	0	44	-1.0	-47.54	371.94	5.07	-42.47
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C(C2CCC(=O)N2)C=C1	REAL300020157135	1	44	-1.0	-47.49	371.88	5.05	-42.44
CC1=NC(C(C)C)=NC=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020157136	0	43	-1.0	-39.74	358.22	5.42	-34.32
CC1=NC(C(C)C)=NC=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020157136	1	43	-1.0	-39.71	358.17	5.40	-34.31
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)[C@@H]1C[C@H]2CC[C@@H](C1)S2(=O)=O	REAL300020157137	0	43	-1.0	-54.79	345.41	2.76	-52.03
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)[C@@H]1C[C@H]2CC[C@@H](C1)S2(=O)=O	REAL300020157137	1	43	-1.0	-54.77	345.47	2.78	-51.99
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=CN2N=CC=C12	REAL300020157138	0	36	-1.0	-61.02	314.28	5.37	-55.65
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=CN2N=CC=C12	REAL300020157138	1	36	-1.0	-60.99	314.22	5.34	-55.65
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C2C(=O)N=CNC2=C1	REAL300020157139	0	38	-1.0	-52.94	334.36	3.86	-49.08
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C2C(=O)N=CNC2=C1	REAL300020157139	1	38	-1.0	-52.98	334.30	3.83	-49.15
O=C(CO)NCCC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020157140	0	37	-1.0	-54.32	324.79	-0.54	-54.86
O=C(CO)NCCC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020157140	1	37	-1.0	-54.31	324.73	-0.56	-54.87
O=C(CNC(=O)N1CCCC1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020157141	0	42	-1.0	-43.60	351.61	2.94	-40.66
O=C(CNC(=O)N1CCCC1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020157141	1	42	-1.0	-43.61	351.55	2.91	-40.70
O=C(CC1=CC=CC=C1N1CCCC1=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020157142	0	47	-1.0	-44.94	393.91	7.78	-37.16
O=C(CC1=CC=CC=C1N1CCCC1=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020157142	1	47	-1.0	-44.96	393.85	7.76	-37.20
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1CCC2=NN=CN2CC1	REAL300020157143	0	42	-1.0	-50.48	342.57	7.09	-43.39
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1CCC2=NN=CN2CC1	REAL300020157143	1	42	-1.0	-50.48	342.51	7.06	-43.42
C=CCCCC(C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=CC=C1	REAL300020157144	0	49	-1.0	-40.19	406.64	9.50	-30.69
C=CCCCC(C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=CC=C1	REAL300020157144	1	49	-1.0	-40.19	406.58	9.48	-30.71
CC1(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)OCCC2=CC=CC=C21	REAL300020157145	0	44	-1.0	-41.11	358.15	6.12	-34.99
CC1(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)OCCC2=CC=CC=C21	REAL300020157145	1	44	-1.0	-41.09	358.09	6.10	-34.99
CC1=CC=C(OC2=CC=C(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=C2)N=C1	REAL300020157146	0	46	-1.0	-43.61	395.74	6.61	-37.00
CC1=CC=C(OC2=CC=C(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=C2)N=C1	REAL300020157146	1	46	-1.0	-43.61	395.68	6.59	-37.02
O=C(CC1CCNC1=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020157147	0	37	-1.0	-56.41	311.71	2.83	-53.58
O=C(CC1CCNC1=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020157147	1	37	-1.0	-56.41	311.65	2.80	-53.61
CC(=O)N(CC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=CC=C1	REAL300020157148	0	43	-1.0	-46.12	369.20	6.59	-39.53
CC(=O)N(CC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=CC=C1	REAL300020157148	1	43	-1.0	-46.14	369.14	6.56	-39.58
CCNC1=NC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1Cl	REAL300020157149	0	40	-1.0	-40.59	356.28	5.11	-35.48
CCNC1=NC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1Cl	REAL300020157149	1	40	-1.0	-40.56	356.22	5.08	-35.48
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=NNC=C1Br	REAL300020157150	0	30	-1.0	-53.43	290.64	2.65	-50.78
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=NNC=C1Br	REAL300020157150	1	30	-1.0	-53.45	290.58	2.62	-50.83
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=CC2=NSN=C21	REAL300020157151	0	34	-1.0	-47.94	312.85	4.02	-43.92
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=CC2=NSN=C21	REAL300020157151	1	34	-1.0	-47.90	312.79	4.00	-43.90
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=COC2=CC(O)=CC=C12	REAL300020157152	0	37	-1.0	-58.24	328.31	3.04	-55.20
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=COC2=CC(O)=CC=C12	REAL300020157152	1	37	-1.0	-58.20	328.25	3.01	-55.19
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CN=C2C=CNC2=C1	REAL300020157153	0	36	-1.0	-54.62	314.60	3.69	-50.93
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CN=C2C=CNC2=C1	REAL300020157153	1	36	-1.0	-54.62	314.54	3.66	-50.96
COC1=CNC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC1=O	REAL300020157154	0	37	-1.0	-52.73	322.59	3.34	-49.39
COC1=CNC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC1=O	REAL300020157154	1	37	-1.0	-52.71	322.53	3.32	-49.39
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=C(F)C=CN=C1Cl	REAL300020157155	0	32	-1.0	-46.54	309.18	4.06	-42.48
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=C(F)C=CN=C1Cl	REAL300020157155	1	32	-1.0	-46.52	309.12	4.04	-42.48
CC1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(=S)NC(=O)N1	REAL300020157156	0	36	-1.0	-66.84	332.89	2.21	-64.63
CC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(=S)NC(=O)N1	REAL300020157156	1	36	-1.0	-66.85	332.83	2.18	-64.67
CC1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(=S)[N-]C(=O)N1	REAL300020157156	1	35	-2.0	-114.05	329.65	1.07	-112.98
CC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(=S)[N-]C(=O)N1	REAL300020157156	1	35	-2.0	-114.03	329.59	1.05	-112.98
CC(C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=CC(O)=C1	REAL300020157157	0	40	-1.0	-42.04	339.95	3.90	-38.14
CC(C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=CC(O)=C1	REAL300020157157	1	40	-1.0	-42.03	339.89	3.88	-38.15
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=C(Br)C(=O)[N-]C=N1	REAL300020157158	0	31	-2.0	-94.70	303.12	1.88	-92.82
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=C(Br)C(=O)NC=N1	REAL300020157158	1	32	-1.0	-61.21	306.51	3.04	-58.17
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=C(Br)C(=O)[N-]C=N1	REAL300020157158	1	31	-2.0	-94.66	303.06	1.86	-92.80
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=C(Br)C(=O)NC=N1	REAL300020157158	1	32	-1.0	-61.23	306.45	3.01	-58.22
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=NC=CC=C1C1=CC=CC=N1	REAL300020157159	0	41	-1.0	-50.58	356.92	5.93	-44.65
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=NC=CC=C1C1=CC=CC=N1	REAL300020157159	1	41	-1.0	-50.56	356.86	5.91	-44.65
CN(C)C1(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)COC2=CC=CC=C2C1	REAL300020157160	0	49	-1.0	-46.16	385.68	4.53	-41.63
CN(C)C1(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)COC2=CC=CC=C2C1	REAL300020157160	1	49	-1.0	-46.19	385.74	4.55	-41.64
CC(C)(C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC(C(F)(F)F)=CC=N1	REAL300020157161	0	44	-1.0	-46.07	378.57	7.12	-38.95
CC(C)(C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC(C(F)(F)F)=CC=N1	REAL300020157161	1	44	-1.0	-46.03	378.51	7.09	-38.94
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=NC=CC=C1NCC1CCC1	REAL300020157162	0	47	-1.0	-51.49	385.38	5.92	-45.57
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=NC=CC=C1NCC1CCC1	REAL300020157162	1	47	-1.0	-51.50	385.32	5.89	-45.61
CC1CNC2=C(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=NN2C1	REAL300020157163	0	42	-1.0	-53.38	349.88	3.73	-49.65
CC1CNC2=C(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=NN2C1	REAL300020157163	1	42	-1.0	-53.39	349.82	3.71	-49.68
CCNC1=CC=CN=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020157164	0	40	-1.0	-50.25	337.17	3.85	-46.40
CCNC1=CC=CN=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020157164	1	40	-1.0	-50.19	337.11	3.82	-46.37
COCCNC1=NC(CC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CS1	REAL300020157165	0	44	-1.0	-47.81	388.63	3.19	-44.62
COCCNC1=NC(CC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CS1	REAL300020157165	1	44	-1.0	-47.79	388.69	3.21	-44.58
NC1=NN=C(CC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)S1	REAL300020157166	0	33	-1.0	-47.11	308.66	1.48	-45.63
NC1=NN=C(CC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)S1	REAL300020157166	1	33	-1.0	-47.06	308.60	1.45	-45.61
CC1=CC=C(Cl)C=C1OCC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020157167	0	40	-1.0	-42.89	358.95	7.28	-35.61
CC1=CC=C(Cl)C=C1OCC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020157167	1	40	-1.0	-42.89	358.90	7.26	-35.63
CC1=CC(C(F)(F)F)=NC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020157168	0	37	-1.0	-56.96	343.77	4.72	-52.24
CC1=CC(C(F)(F)F)=NC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020157168	1	37	-1.0	-56.95	343.71	4.70	-52.25
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=C(C(F)F)C=CS1	REAL300020157169	0	33	-1.0	-44.34	307.93	5.47	-38.87
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=C(C(F)F)C=CS1	REAL300020157169	1	33	-1.0	-44.34	307.87	5.44	-38.90
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)[C@@H]1C[C@H]1C1=CC=CC(C(F)(F)F)=C1	REAL300020157170	0	43	-1.0	-45.38	380.15	8.57	-36.81
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)[C@@H]1C[C@H]1C1=CC=CC(C(F)(F)F)=C1	REAL300020157170	1	43	-1.0	-45.37	380.21	8.60	-36.77
CCOC(=O)C(C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)C(C)C	REAL300020157171	0	44	-1.0	-45.51	360.42	6.56	-38.95
CCOC(=O)C(C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)C(C)C	REAL300020157171	1	44	-1.0	-45.51	360.36	6.54	-38.97
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CSC(NC2CCCCC2)=N1	REAL300020157172	0	47	-1.0	-41.06	396.88	6.06	-35.00
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CSC(NC2CCCCC2)=N1	REAL300020157172	1	47	-1.0	-41.03	396.82	6.04	-34.99
CC1(C)CCC(CC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)OC1	REAL300020157173	0	46	-1.0	-42.54	364.13	6.18	-36.36
CC1(C)CCC(CC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)OC1	REAL300020157173	1	46	-1.0	-42.54	364.07	6.15	-36.39
CC(C)(CC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)CC(F)F	REAL300020157174	0	41	-1.0	-41.43	330.98	5.85	-35.58
CC(C)(CC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)CC(F)F	REAL300020157174	1	41	-1.0	-41.44	330.92	5.83	-35.61
O=C(CN1CCCCS1(=O)=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020157175	0	41	-1.0	-58.33	350.79	1.94	-56.39
O=C(CN1CCCCS1(=O)=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020157175	1	41	-1.0	-58.40	350.74	1.92	-56.48
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300020157176	0	37	-1.0	-41.97	343.78	5.70	-36.27
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300020157176	1	37	-1.0	-41.97	343.72	5.68	-36.29
CC1=CC2=CC=CC=C2N=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020157177	0	41	-1.0	-43.88	348.14	6.68	-37.20
CC1=CC2=CC=CC=C2N=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020157177	1	41	-1.0	-43.90	348.08	6.66	-37.24
CCN1C=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1C	REAL300020157178	0	40	-1.0	-53.72	335.84	6.54	-47.18
CCN1C=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1C	REAL300020157178	1	40	-1.0	-53.73	335.79	6.51	-47.22
CC1=CC=C2NN=CC2=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020157179	0	39	-1.0	-43.79	337.98	4.57	-39.22
CC1=CC=C2NN=CC2=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020157179	1	39	-1.0	-43.81	337.93	4.54	-39.27
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1CCOC2=C(F)C=CC=C21	REAL300020157180	0	41	-1.0	-44.26	343.51	6.36	-37.90
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1CCOC2=C(F)C=CC=C21	REAL300020157180	1	41	-1.0	-44.25	343.45	6.34	-37.91
CS(=O)(=O)C1CCC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CC1	REAL300020157181	0	45	-1.0	-49.85	373.32	3.10	-46.75
CS(=O)(=O)C1CCC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CC1	REAL300020157181	1	45	-1.0	-49.84	373.37	3.13	-46.71
O=C(CN1N=CC2=CC=CN=C21)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020157182	0	38	-1.0	-49.46	336.82	5.02	-44.44
O=C(CN1N=CC2=CC=CN=C21)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020157182	1	38	-1.0	-49.44	336.76	5.00	-44.44
CC(C)N1C(=O)CC[C@H]1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020157183	0	43	-1.0	-52.85	347.91	4.71	-48.14
CC(C)N1C(=O)CC[C@H]1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020157183	1	43	-1.0	-52.81	347.85	4.69	-48.12
O=C(CN1N=C(C(F)F)C=C1C1CC1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020157184	0	43	-1.0	-45.93	380.29	6.42	-39.51
O=C(CN1N=C(C(F)F)C=C1C1CC1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020157184	1	43	-1.0	-45.98	380.34	6.44	-39.54
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C(C2=CC=CC(F)=C2)S1	REAL300020157185	0	40	-1.0	-43.33	364.87	8.34	-34.99
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C(C2=CC=CC(F)=C2)S1	REAL300020157185	1	40	-1.0	-43.31	364.81	8.31	-35.00
CCC(CC1=CC=CC(C)=C1)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020157186	0	48	-1.0	-41.13	386.77	8.92	-32.21
CCC(CC1=CC=CC(C)=C1)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020157186	1	48	-1.0	-41.09	386.71	8.90	-32.19
CC(C)(C)OC1=CC=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020157187	0	46	-1.0	-43.49	368.67	6.74	-36.75
CC(C)(C)OC1=CC=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020157187	1	46	-1.0	-43.51	368.61	6.72	-36.79
CC1=CC=C([N+](=O)[O-])C(C)=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020157188	0	41	-1.0	-42.50	353.93	6.99	-35.51
CC1=CC=C([N+](=O)[O-])C(C)=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020157188	1	41	-1.0	-42.51	353.87	6.96	-35.55
CC1(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CC(F)(F)C1	REAL300020157189	0	36	-1.0	-39.34	308.44	5.18	-34.16
CC1(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CC(F)(F)C1	REAL300020157189	1	36	-1.0	-39.35	308.38	5.16	-34.19
CC(C)OC1(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CCC1	REAL300020157190	0	43	-1.0	-39.88	342.62	5.56	-34.32
CC(C)OC1(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CCC1	REAL300020157190	1	43	-1.0	-39.89	342.57	5.54	-34.35
CO[C@]12CCC[C@@]1(C(=O)NC1=CC=CC(CC3=NN=N[N-]3)=C1)CCO2	REAL300020157191	0	45	-1.0	-54.08	352.94	5.22	-48.86
CO[C@]12CCC[C@@]1(C(=O)NC1=CC=CC(CC3=N[N-]N=N3)=C1)CCO2	REAL300020157191	1	45	-1.0	-54.07	352.88	5.19	-48.88
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1(C2CCCCO2)CCOCC1	REAL300020157192	0	51	-1.0	-44.01	384.24	5.10	-38.91
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1(C2CCCCO2)CCOCC1	REAL300020157192	1	51	-1.0	-44.01	384.29	5.12	-38.89
CC(C)(C)OC(=O)NCC12CC(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)(C1)C2	REAL300020157193	0	54	-1.0	-54.96	438.08	5.48	-49.48
CC(C)(C)OC(=O)NCC12CC(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)(C1)C2	REAL300020157193	1	54	-1.0	-54.95	438.14	5.50	-49.45
CC1=CC=C2OCC(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=CC2=C1	REAL300020157194	0	42	-1.0	-52.91	355.94	6.73	-46.18
CC1=CC=C2OCC(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=CC2=C1	REAL300020157194	1	42	-1.0	-52.93	355.89	6.71	-46.22
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1CNC(=O)CC1C(F)(F)F	REAL300020157195	0	40	-1.0	-53.53	344.47	2.48	-51.05
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1CNC(=O)CC1C(F)(F)F	REAL300020157195	1	40	-1.0	-53.58	344.53	2.50	-51.08
C[C@@]1(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CCC(=O)N1	REAL300020157196	0	37	-1.0	-43.75	313.34	1.93	-41.82
C[C@@]1(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CCC(=O)N1	REAL300020157196	1	37	-1.0	-43.78	313.28	1.90	-41.88
COC1=CC=C(C=CC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1OC	REAL300020157197	0	45	-1.0	-55.67	381.74	5.96	-49.71
COC1=CC=C(C=CC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1OC	REAL300020157197	1	45	-1.0	-55.67	381.68	5.94	-49.73
O=C(C=CC1=CC=C(SC(F)F)C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020157198	0	41	-1.0	-43.13	372.66	7.98	-35.15
O=C(C=CC1=CC=C(SC(F)F)C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020157198	1	41	-1.0	-43.14	372.72	8.01	-35.13
COC(=O)[C@@H]1CC[C@@H]1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020157199	0	39	-1.0	-51.06	329.95	5.05	-46.01
COC(=O)[C@@H]1CC[C@@H]1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020157199	1	39	-1.0	-51.04	329.89	5.02	-46.02
COC(=O)CC[C@@H]1CC[C@H](C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)O1	REAL300020157200	0	46	-1.0	-54.52	386.89	6.05	-48.47
COC(=O)CC[C@@H]1CC[C@H](C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)O1	REAL300020157200	1	46	-1.0	-54.48	386.95	6.07	-48.41
COC(=O)[C@@H]1CO[C@H](CCC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C1	REAL300020157201	0	46	-1.0	-45.25	385.30	5.02	-40.23
COC(=O)[C@@H]1CO[C@H](CCC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C1	REAL300020157201	1	46	-1.0	-45.29	385.36	5.04	-40.25
CC(C)(C)OC(=O)C=CC1=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CO1	REAL300020157202	0	49	-1.0	-44.06	415.32	7.68	-36.38
CC(C)(C)OC(=O)C=CC1=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CO1	REAL300020157202	1	49	-1.0	-44.07	415.37	7.70	-36.37
COC1=CC=C(OC)C(C=CC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020157203	0	45	-1.0	-56.27	380.93	5.40	-50.87
COC1=CC=C(OC)C(C=CC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020157203	1	45	-1.0	-56.28	380.87	5.37	-50.91
O=C(C=CC1=CSC=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020157204	0	34	-1.0	-52.11	313.21	5.73	-46.38
O=C(C=CC1=CSC=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020157204	1	34	-1.0	-52.09	313.16	5.70	-46.39
CC(C)(C)OC(=O)C1=CC=C(C=CC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)O1	REAL300020157205	0	49	-1.0	-43.01	418.87	7.83	-35.18
CC(C)(C)OC(=O)C1=CC=C(C=CC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)O1	REAL300020157205	1	49	-1.0	-42.99	418.92	7.85	-35.14
CC(C)(C)OC(=O)[C@@H]1CC[C@H]1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020157206	0	48	-1.0	-45.06	389.64	7.18	-37.88
CC(C)(C)OC(=O)[C@@H]1CC[C@H]1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020157206	1	48	-1.0	-45.05	389.70	7.20	-37.85
O=C(CC1=CC=C(Cl)C=N1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020157207	0	35	-1.0	-44.95	323.45	5.12	-39.83
O=C(CC1=CC=C(Cl)C=N1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020157207	1	35	-1.0	-44.90	323.39	5.09	-39.81
O=C(CC1=CC=CC2=NC=CC=C12)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020157208	0	41	-1.0	-45.73	350.99	6.47	-39.26
O=C(CC1=CC=CC2=NC=CC=C12)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020157208	1	41	-1.0	-45.71	350.93	6.45	-39.26
O=C(CC1=CC2=NC=CC=C2C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020157209	0	41	-1.0	-47.32	354.34	6.60	-40.72
O=C(CC1=CC2=NC=CC=C2C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020157209	1	41	-1.0	-47.33	354.29	6.57	-40.76
O=C(CC1=CSC(C2CCCC2)=N1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020157210	0	45	-1.0	-43.65	383.65	6.44	-37.21
O=C(CC1=CSC(C2CCCC2)=N1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020157210	1	45	-1.0	-43.68	383.71	6.47	-37.21
CC1(C)CCC2=C(C1)C(C(=O)NC1=CC=CC(CC3=NN=N[N-]3)=C1)=NO2	REAL300020157211	0	45	-1.0	-42.42	364.89	6.50	-35.92
CC1(C)CCC2=C(C1)C(C(=O)NC1=CC=CC(CC3=N[N-]N=N3)=C1)=NO2	REAL300020157211	1	45	-1.0	-42.43	364.83	6.47	-35.96
CCC1=NN(C)C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020157212	0	39	-1.0	-43.65	330.62	4.80	-38.85
CCC1=NN(C)C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020157212	1	39	-1.0	-43.66	330.56	4.78	-38.88
CC1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)SC(C2=CC=C(C)C=C2)=N1	REAL300020157213	0	45	-1.0	-51.30	393.89	7.77	-43.53
CC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)SC(C2=CC=C(C)C=C2)=N1	REAL300020157213	1	45	-1.0	-51.29	393.84	7.75	-43.54
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C(O)C1=CC=C(C(F)(F)F)C=C1	REAL300020157214	0	40	-1.0	-51.73	359.95	5.17	-46.56
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C(O)C1=CC=C(C(F)(F)F)C=C1	REAL300020157214	1	40	-1.0	-51.76	360.01	5.19	-46.57
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1CC(=O)N(OCC2=CC=CC=C2)C1	REAL300020157215	0	48	-1.0	-49.54	410.88	7.28	-42.26
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1CC(=O)N(OCC2=CC=CC=C2)C1	REAL300020157215	1	48	-1.0	-49.56	410.93	7.31	-42.25
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C(F)(F)C1=CC(F)=CC(F)=C1	REAL300020157216	0	36	-1.0	-37.56	335.52	6.44	-31.12
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C(F)(F)C1=CC(F)=CC(F)=C1	REAL300020157216	1	36	-1.0	-37.51	335.58	6.46	-31.05
CCN1N=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1Br	REAL300020157217	0	36	-1.0	-41.61	332.94	4.63	-36.98
CCN1N=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1Br	REAL300020157217	1	36	-1.0	-41.64	332.89	4.60	-37.04
O=C(CC1=CSC(C2CC2)=N1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020157218	0	39	-1.0	-49.62	349.74	5.41	-44.21
O=C(CC1=CSC(C2CC2)=N1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020157218	1	39	-1.0	-49.60	349.69	5.39	-44.21
CC1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=CN1CC1=CC=CC=C1	REAL300020157219	0	47	-1.0	-55.01	393.11	9.45	-45.56
CC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=CN1CC1=CC=CC=C1	REAL300020157219	1	47	-1.0	-55.00	393.05	9.43	-45.57
CC1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(C(F)(F)F)=CO1	REAL300020157220	0	36	-1.0	-47.83	335.80	5.36	-42.47
CC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(C(F)(F)F)=CO1	REAL300020157220	1	36	-1.0	-47.80	335.74	5.34	-42.46
CC(C)(C)C1=NC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CO1	REAL300020157221	0	41	-1.0	-48.56	351.38	2.81	-45.75
CC(C)(C)C1=NC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CO1	REAL300020157221	1	41	-1.0	-48.53	351.32	2.78	-45.75
O=C(CCC1CCC2=CC=CC=C21)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020157222	0	46	-1.0	-41.75	375.24	8.71	-33.04
O=C(CCC1CCC2=CC=CC=C21)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020157222	1	46	-1.0	-41.73	375.19	8.68	-33.05
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC(C(F)(F)F)=CC=N1	REAL300020157223	0	35	-1.0	-51.70	324.87	4.82	-46.88
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC(C(F)(F)F)=CC=N1	REAL300020157223	1	35	-1.0	-51.70	324.81	4.80	-46.90
CC1(C)COC(CCC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C1	REAL300020157224	0	46	-1.0	-41.17	371.57	5.44	-35.73
CC1(C)COC(CCC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C1	REAL300020157224	1	46	-1.0	-41.13	371.63	5.47	-35.66
CC1=NN(C2CCOCC2)C=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020157225	0	47	-1.0	-45.41	384.04	4.77	-40.64
CC1=NN(C2CCOCC2)C=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020157225	1	47	-1.0	-45.39	383.98	4.74	-40.65
CC(C)(CC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)CC(F)(F)F	REAL300020157226	0	41	-1.0	-42.22	334.76	5.91	-36.31
CC(C)(CC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)CC(F)(F)F	REAL300020157226	1	41	-1.0	-42.22	334.82	5.94	-36.28
COC1=CC=C(CCCCC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1OC	REAL300020157227	0	53	-1.0	-45.41	436.32	7.78	-37.63
COC1=CC=C(CCCCC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1OC	REAL300020157227	1	53	-1.0	-45.39	436.38	7.80	-37.59
COC1=CC=C2CC(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)CCC2=C1	REAL300020157228	0	47	-1.0	-41.59	382.64	7.21	-34.38
COC1=CC=C2CC(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)CCC2=C1	REAL300020157228	1	47	-1.0	-41.57	382.58	7.19	-34.38
CC(C)(C)C12CC(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)(C1)C2	REAL300020157229	0	46	-1.0	-46.80	373.97	7.60	-39.20
CC(C)(C)C12CC(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)(C1)C2	REAL300020157229	1	46	-1.0	-46.80	373.91	7.57	-39.23
CC1=CC(C)=NC(N2CCC(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)CC2)=N1	REAL300020157230	0	52	-1.0	-45.13	420.00	7.52	-37.61
CC1=CC(C)=NC(N2CCC(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)CC2)=N1	REAL300020157230	1	52	-1.0	-45.15	420.05	7.55	-37.60
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CC(C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)N1C=CC(C2CC2)=N1	REAL300020157233	0	43	-1.0	-45.69	363.46	6.22	-39.47
CC(C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)N1C=CC(C2CC2)=N1	REAL300020157233	1	43	-1.0	-45.69	363.41	6.19	-39.50
CC1=NN2C=C(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)N=C2S1	REAL300020157234	0	35	-1.0	-54.03	326.81	4.19	-49.84
CC(C)C1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(=O)N1	REAL300020157235	0	42	-1.0	-55.68	351.50	4.78	-50.90
CC(C)C1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(=O)N1	REAL300020157235	1	42	-1.0	-55.66	351.44	4.75	-50.91
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O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=CC=C1C1=NC=CN1	REAL300020157237	1	40	-1.0	-50.54	344.54	6.60	-43.94
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CN2CCCCC2=N1	REAL300020157238	0	40	-1.0	-53.25	335.98	5.72	-47.53
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CN2CCCCC2=N1	REAL300020157238	1	40	-1.0	-53.23	335.92	5.69	-47.54
CN1N=CC2=CC(CC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=CC=C21	REAL300020157239	0	42	-1.0	-53.19	362.34	6.23	-46.96
CN1N=CC2=CC(CC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=CC=C21	REAL300020157239	1	42	-1.0	-53.16	362.29	6.20	-46.96
COC1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C2=CN=CC=C12	REAL300020157240	0	42	-1.0	-59.48	353.54	5.39	-54.09
COC1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C2=CN=CC=C12	REAL300020157240	1	42	-1.0	-59.45	353.49	5.37	-54.08
O=C(COC1=CC=CC=N1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020157241	0	36	-1.0	-51.32	319.66	3.49	-47.83
O=C(COC1=CC=CC=N1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020157241	1	36	-1.0	-51.33	319.60	3.46	-47.87
COC1=CC=C(Cl)C=C1C(F)(F)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020157242	0	40	-1.0	-41.18	366.77	6.23	-34.95
COC1=CC=C(Cl)C=C1C(F)(F)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020157242	1	40	-1.0	-41.17	366.83	6.26	-34.91
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)[C@H]1CC[C@H](OC(F)F)CC1	REAL300020157243	0	43	-1.0	-41.81	355.79	5.05	-36.76
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)[C@H]1CC[C@H](OC(F)F)CC1	REAL300020157243	1	43	-1.0	-41.86	355.85	5.07	-36.79
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=CC2=C1OCC2	REAL300020157244	0	38	-1.0	-60.50	323.54	6.26	-54.24
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=CC2=C1OCC2	REAL300020157244	1	38	-1.0	-60.50	323.48	6.24	-54.26
CC1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C(C(C)(C)C)O1	REAL300020157245	0	45	-1.0	-49.89	373.00	7.10	-42.79
CC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C(C(C)(C)C)O1	REAL300020157245	1	45	-1.0	-49.85	372.95	7.07	-42.78
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CN=C(F)C(Cl)=C1	REAL300020157246	0	32	-1.0	-39.19	306.22	4.21	-34.98
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CN=C(F)C(Cl)=C1	REAL300020157246	1	32	-1.0	-39.16	306.16	4.18	-34.98
CN1N=C(C2CC2)C=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020157247	0	40	-1.0	-48.35	338.60	5.58	-42.77
CN1N=C(C2CC2)C=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020157247	1	40	-1.0	-48.37	338.54	5.56	-42.81
CCC1=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC(Cl)=N1	REAL300020157248	0	38	-1.0	-41.42	342.95	5.63	-35.79
CCC1=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC(Cl)=N1	REAL300020157248	1	38	-1.0	-41.44	342.89	5.60	-35.84
COC1=NC=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020157249	0	35	-1.0	-48.31	313.03	0.37	-47.94
COC1=NC=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020157249	1	35	-1.0	-48.32	312.97	0.35	-47.97
CC1=CC(C#N)=CC(C)=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020157250	0	40	-1.0	-50.57	351.81	6.86	-43.71
CC1=CC(C#N)=CC(C)=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020157250	1	40	-1.0	-50.58	351.75	6.83	-43.75
CCC1=C(C)C=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(=O)N1	REAL300020157251	0	42	-1.0	-56.52	351.03	4.62	-51.90
CCC1=C(C)C=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(=O)N1	REAL300020157251	1	42	-1.0	-56.51	350.97	4.60	-51.91
COC1=CC=CN2N=CC(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=C12	REAL300020157252	0	40	-1.0	-49.06	342.22	5.84	-43.22
COC1=CC=CN2N=CC(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=C12	REAL300020157252	1	40	-1.0	-49.06	342.17	5.81	-43.25
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CN(C2CCC2)N=C1	REAL300020157253	0	40	-1.0	-42.66	338.96	5.30	-37.36
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CN(C2CCC2)N=C1	REAL300020157253	1	40	-1.0	-42.64	338.91	5.27	-37.37
CC1=CN2N=NC(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=C2C(=O)N1	REAL300020157254	0	38	-1.0	-52.79	336.13	2.77	-50.02
CC1=CN2N=NC(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=C2C(=O)N1	REAL300020157254	1	38	-1.0	-52.78	336.08	2.74	-50.04
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=NN1C1CCC1	REAL300020157255	0	40	-1.0	-51.34	333.44	5.64	-45.70
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=NN1C1CCC1	REAL300020157255	1	40	-1.0	-51.34	333.39	5.62	-45.72
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC(C(F)F)=NC=N1	REAL300020157256	0	34	-1.0	-50.26	315.56	4.51	-45.75
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC(C(F)F)=NC=N1	REAL300020157256	1	34	-1.0	-50.25	315.51	4.49	-45.76
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=C(C2CC2)OC(C2CC2)=C1	REAL300020157257	0	44	-1.0	-43.57	375.07	8.34	-35.23
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=C(C2CC2)OC(C2CC2)=C1	REAL300020157257	1	44	-1.0	-43.57	375.01	8.31	-35.26
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC(S(=O)(=O)F)=C[N-]1	REAL300020157258	0	33	-2.0	-94.95	321.43	-0.01	-94.96
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC(S(=O)(=O)F)=C[N-]1	REAL300020157258	1	33	-2.0	-94.94	321.37	-0.04	-94.98
N#CC1(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CC2CCC1C2	REAL300020157259	0	41	-1.0	-40.36	334.71	5.95	-34.41
N#CC1(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CC2CCC1C2	REAL300020157259	1	41	-1.0	-40.31	334.65	5.92	-34.39
CCOC(=O)N(C)CCCC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020157260	0	46	-1.0	-48.00	388.06	5.27	-42.73
CCOC(=O)N(C)CCCC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020157260	1	46	-1.0	-48.03	388.12	5.30	-42.73
O=C(CC1CCC2(CCC2)CO1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020157261	0	47	-1.0	-42.58	373.08	6.81	-35.77
O=C(CC1CCC2(CCC2)CO1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020157261	1	47	-1.0	-42.62	373.13	6.84	-35.78
O=C(CC1CCC2(CCOCC2)CO1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020157262	0	51	-1.0	-43.20	390.29	5.43	-37.77
O=C(CC1CCC2(CCOCC2)CO1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020157262	1	51	-1.0	-43.17	390.35	5.45	-37.72
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1CC2CCC(C1)S2	REAL300020157263	0	41	-1.0	-43.16	329.12	6.40	-36.76
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1CC2CCC(C1)S2	REAL300020157263	1	41	-1.0	-43.14	329.06	6.38	-36.76
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)[C@@H]1CCO[C@H]1C1CC1	REAL300020157264	0	41	-1.0	-48.60	339.20	4.90	-43.70
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)[C@@H]1CCO[C@H]1C1CC1	REAL300020157264	1	41	-1.0	-48.58	339.14	4.87	-43.71
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CSC=C1C(F)F	REAL300020157265	0	33	-1.0	-60.73	307.76	5.43	-55.30
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CSC=C1C(F)F	REAL300020157265	1	33	-1.0	-60.75	307.71	5.41	-55.34
COC1=CC=C(CCCC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1OC	REAL300020157266	0	50	-1.0	-46.69	414.82	7.00	-39.69
COC1=CC=C(CCCC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1OC	REAL300020157266	1	50	-1.0	-46.69	414.88	7.02	-39.67
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)[C@@H]1[C@@H](C2=CC=CC=C2)C1(F)F	REAL300020157267	0	40	-1.0	-44.12	350.94	7.64	-36.48
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)[C@@H]1[C@@H](C2=CC=CC=C2)C1(F)F	REAL300020157267	1	40	-1.0	-44.12	350.89	7.61	-36.51
O=C(CCC1=CC=CC(O)=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020157268	0	40	-1.0	-52.07	345.66	4.19	-47.88
O=C(CCC1=CC=CC(O)=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020157268	1	40	-1.0	-52.07	345.60	4.17	-47.90
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=CC(O)=C1F	REAL300020157269	0	34	-1.0	-61.84	303.99	2.79	-59.05
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=CC(O)=C1F	REAL300020157269	1	34	-1.0	-61.86	303.94	2.76	-59.10
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=CC([O-])=C1F	REAL300020157269	1	33	-2.0	-116.55	300.43	3.55	-113.00
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CN=C(Cl)C=C1C(F)(F)F	REAL300020157270	0	35	-1.0	-40.36	331.14	5.23	-35.13
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CN=C(Cl)C=C1C(F)(F)F	REAL300020157270	1	35	-1.0	-40.36	331.09	5.21	-35.15
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=CC2=C1C(=O)N=CN2	REAL300020157271	0	38	-1.0	-74.37	332.66	5.10	-69.27
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=CC2=C1C(=O)N=CN2	REAL300020157271	1	38	-1.0	-74.37	332.60	5.07	-69.30
CC1=CC(O)=CC=C1CC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020157272	0	40	-1.0	-43.99	341.01	3.87	-40.12
CC1=CC(O)=CC=C1CC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020157272	1	40	-1.0	-43.99	340.95	3.84	-40.15
C[NH+](C)CCC1=CC=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020157273	0	48	0.0	-71.67	389.19	8.31	-63.36
C[NH+](C)CCC1=CC=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020157273	1	48	0.0	-71.69	389.13	8.29	-63.40
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CNC2=CC(=O)C=CC2=C1	REAL300020157274	0	39	-1.0	-53.76	339.47	5.37	-48.39
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CNC2=CC(=O)C=CC2=C1	REAL300020157274	1	39	-1.0	-53.78	339.42	5.35	-48.43
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1CCC(Cl)CC1	REAL300020157275	0	39	-1.0	-42.27	326.33	6.17	-36.10
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1CCC(Cl)CC1	REAL300020157275	1	39	-1.0	-42.28	326.27	6.15	-36.13
CC1(C)OC[C@H](C=CC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)O1	REAL300020157276	0	42	-1.0	-41.99	356.45	4.24	-37.75
CC1(C)OC[C@H](C=CC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)O1	REAL300020157276	1	42	-1.0	-41.97	356.39	4.22	-37.75
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CS(=O)CCC1	REAL300020157277	0	36	-1.0	-65.53	313.05	2.83	-62.70
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CS(=O)CCC1	REAL300020157277	1	36	-1.0	-65.53	313.00	2.81	-62.72
CN1C(=O)CCCC1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020157278	0	40	-1.0	-45.28	327.49	3.80	-41.48
CN1C(=O)CCCC1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020157278	1	40	-1.0	-45.29	327.44	3.78	-41.51
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=C(Cl)C=CN=C1Br	REAL300020157279	0	32	-1.0	-45.45	323.07	4.52	-40.93
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=C(Cl)C=CN=C1Br	REAL300020157279	1	32	-1.0	-45.45	323.01	4.49	-40.96
CS(=O)(=O)CC1(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)COC1	REAL300020157280	0	40	-1.0	-58.45	344.13	1.04	-57.41
CS(=O)(=O)CC1(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)COC1	REAL300020157280	1	40	-1.0	-58.43	344.19	1.07	-57.36
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)[C@@H]1CC[C@H](CN2C=CN=C2)O1	REAL300020157281	0	44	-1.0	-56.17	372.39	7.01	-49.16
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)[C@@H]1CC[C@H](CN2C=CN=C2)O1	REAL300020157281	1	44	-1.0	-56.15	372.45	7.03	-49.12
O=C(COC1=NSC=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020157282	0	33	-1.0	-43.40	309.42	2.51	-40.89
O=C(COC1=NSC=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020157282	1	33	-1.0	-43.38	309.36	2.49	-40.89
O=CC1=CC=C(C2=CC=C(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=C2)C=C1	REAL300020157283	0	45	-1.0	-56.84	385.88	8.69	-48.15
O=CC1=CC=C(C2=CC=C(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=C2)C=C1	REAL300020157283	1	45	-1.0	-56.88	385.82	8.66	-48.22
CC(C)CN1C=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020157284	0	42	-1.0	-44.67	352.43	5.79	-38.88
CC(C)CN1C=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020157284	1	42	-1.0	-44.60	352.37	5.77	-38.83
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=NN(C2=CC(F)=CC(F)=C2)C=C1	REAL300020157285	0	40	-1.0	-50.98	362.80	6.87	-44.11
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=NN(C2=CC(F)=CC(F)=C2)C=C1	REAL300020157285	1	40	-1.0	-51.00	362.74	6.84	-44.16
O=C(CCCCC1=CC=CC=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020157286	0	45	-1.0	-41.62	377.62	8.61	-33.01
O=C(CCCCC1=CC=CC=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020157286	1	45	-1.0	-41.57	377.57	8.58	-32.99
CC1(C)COC(CC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C1	REAL300020157287	0	43	-1.0	-43.55	349.96	5.28	-38.27
CC1(C)COC(CC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C1	REAL300020157287	1	43	-1.0	-43.54	349.90	5.26	-38.28
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=NN2CCCC2=C1Br	REAL300020157288	0	37	-1.0	-55.91	337.26	4.81	-51.10
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=NN2CCCC2=C1Br	REAL300020157288	1	37	-1.0	-55.92	337.20	4.79	-51.13
O=C(CC[N@H+]1CCC(F)C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020157289	0	42	0.0	-69.42	342.86	5.72	-63.70
O=C(CC[N@@H+]1CCC(F)C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020157289	1	42	0.0	-67.47	342.84	5.73	-61.74
O=C(CCN1CCC(F)C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020157289	1	41	-1.0	-40.86	340.23	3.33	-37.53
O=C(CCN1CCC(F)C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020157289	1	41	-1.0	-40.82	340.28	3.36	-37.46
C=CCC1(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CN(C(=O)OC(C)(C)C)C1	REAL300020157290	0	54	-1.0	-47.97	437.58	6.77	-41.20
C=CCC1(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CN(C(=O)OC(C)(C)C)C1	REAL300020157290	1	54	-1.0	-47.99	437.64	6.79	-41.20
O=C(CC1=CN=C2NC=CC(Cl)=C12)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020157291	0	39	-1.0	-54.14	352.28	5.91	-48.23
O=C(CC1=CN=C2NC=CC(Cl)=C12)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020157291	1	39	-1.0	-54.17	352.22	5.88	-48.29
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=NC(CO)=C1	REAL300020157292	0	36	-1.0	-43.72	314.59	1.23	-42.49
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=NC(CO)=C1	REAL300020157292	1	36	-1.0	-43.73	314.53	1.21	-42.52
COC(=O)C1=NC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CS1	REAL300020157293	0	35	-1.0	-50.79	333.15	3.34	-47.45
COC(=O)C1=NC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CS1	REAL300020157293	1	35	-1.0	-50.79	333.09	3.32	-47.47
CCNC1=CC=C(C)C=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020157294	0	44	-1.0	-50.40	361.22	6.23	-44.17
CCNC1=CC=C(C)C=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020157294	1	44	-1.0	-50.39	361.17	6.21	-44.18
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=C(Cl)C=CC=C1C(F)(F)F	REAL300020157295	0	36	-1.0	-44.88	343.08	6.79	-38.09
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=C(Cl)C=CC=C1C(F)(F)F	REAL300020157295	1	36	-1.0	-44.86	343.03	6.77	-38.09
CC1=CC=NC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1O	REAL300020157296	0	36	-1.0	-53.73	314.99	2.98	-50.75
CC1=CC=NC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1O	REAL300020157296	1	36	-1.0	-53.73	314.94	2.95	-50.78
CC1=CC=NC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1[O-]	REAL300020157296	1	35	-2.0	-118.26	311.43	3.99	-114.27
CC1=CC=NC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1[O-]	REAL300020157296	1	35	-2.0	-118.25	311.38	3.96	-114.29
CC1=C2OC=C(CC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C2=CC=C1Cl	REAL300020157297	0	42	-1.0	-44.28	376.48	7.69	-36.59
CC1=C2OC=C(CC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C2=CC=C1Cl	REAL300020157297	1	42	-1.0	-44.29	376.42	7.66	-36.63
NC1=C([N+](=O)[O-])C2=CC=CC=C2C=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020157298	0	43	-1.0	-43.58	373.18	6.98	-36.60
NC1=C([N+](=O)[O-])C2=CC=CC=C2C=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020157298	1	43	-1.0	-43.53	373.13	6.96	-36.57
CN(C)CC1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)O1	REAL300020157299	0	41	-1.0	-49.98	350.85	3.28	-46.70
CN(C)CC1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)O1	REAL300020157299	1	41	-1.0	-49.90	350.91	3.30	-46.60
C[NH+](C)CC1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)O1	REAL300020157299	1	42	0.0	-79.43	353.33	5.78	-73.65
CC(C)[N@@H+]1CCCC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C1	REAL300020157300	0	48	0.0	-64.45	367.98	6.76	-57.69
CC(C)[N@H+]1CCCC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C1	REAL300020157300	1	48	0.0	-54.63	361.38	6.99	-47.64
CC(C)[N@@H+]1CCCC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C1	REAL300020157300	1	48	0.0	-64.49	367.93	6.73	-57.76
CC(C)[N@H+]1CCCC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C1	REAL300020157300	1	48	0.0	-54.63	361.32	6.96	-47.67
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C(C[NH+]2CCCC2)O1	REAL300020157301	0	46	0.0	-77.69	378.71	6.90	-70.79
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C(CN2CCCC2)O1	REAL300020157301	1	45	-1.0	-40.51	375.09	4.29	-36.22
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C(CN2CCCC2)O1	REAL300020157301	1	45	-1.0	-40.54	375.15	4.32	-36.22
CC(=O)NC1=CN=CC=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020157302	0	39	-1.0	-43.15	335.36	3.07	-40.08
CC(=O)NC1=CN=CC=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020157302	1	39	-1.0	-43.15	335.31	3.04	-40.11
CCC[N@@H+]1CCCC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C1	REAL300020157303	0	48	0.0	-65.77	372.86	6.99	-58.78
CCC[N@H+]1CCCC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C1	REAL300020157303	1	48	0.0	-64.16	372.84	6.99	-57.17
CCC[N@@H+]1CCCC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C1	REAL300020157303	1	48	0.0	-65.77	372.79	6.96	-58.81
CCC[N@H+]1CCCC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C1	REAL300020157303	1	48	0.0	-64.21	372.79	6.96	-57.25
C[N@@H+]1CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(C(F)(F)F)C1	REAL300020157304	0	42	0.0	-77.62	352.75	5.71	-71.91
C[N@H+]1CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(C(F)(F)F)C1	REAL300020157304	1	42	0.0	-72.31	345.26	5.62	-66.69
CC(CC[NH+](C)C)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020157305	0	44	0.0	-64.35	348.63	5.86	-58.49
CC(CC[NH+](C)C)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020157305	1	44	0.0	-64.35	348.58	5.83	-58.52
CC(C)(C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)[C@@H]1CCC[C@H](C(F)(F)F)N1	REAL300020157306	0	50	-1.0	-42.69	397.06	5.53	-37.16
CC(C)(C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)[C@@H]1CCC[C@H](C(F)(F)F)N1	REAL300020157306	1	50	-1.0	-42.72	397.12	5.55	-37.17
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=NC=C(Br)C=C1[O-]	REAL300020157307	0	32	-2.0	-110.68	312.43	3.89	-106.79
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=NC=C(Br)C=C1[O-]	REAL300020157307	1	32	-2.0	-110.69	312.37	3.87	-106.82
CCCCC(O)CCC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020157308	0	45	-1.0	-40.61	370.29	3.90	-36.71
CCCCC(O)CCC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020157308	1	45	-1.0	-40.63	370.23	3.87	-36.76
O=C(CC1=NC(C2CCCC2)=CS1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020157309	0	45	-1.0	-43.54	381.78	6.41	-37.13
O=C(CC1=NC(C2CCCC2)=CS1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020157309	1	45	-1.0	-43.54	381.83	6.43	-37.11
CN1N=C(C2=CC=CN=C2)C=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020157310	0	42	-1.0	-45.90	361.86	5.25	-40.65
CN1N=C(C2=CC=CN=C2)C=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020157310	1	42	-1.0	-45.91	361.80	5.23	-40.68
CN1N=C(C2=CC=NC=C2)C=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020157311	0	42	-1.0	-45.14	362.07	5.28	-39.86
CN1N=C(C2=CC=NC=C2)C=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020157311	1	42	-1.0	-45.13	362.01	5.25	-39.88
CN1N=C2CCS(=O)(=O)CC2=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020157312	0	43	-1.0	-61.57	376.61	1.64	-59.93
CN1N=C2CCS(=O)(=O)CC2=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020157312	1	43	-1.0	-61.54	376.56	1.61	-59.93
CCN1N=C(C2CC2)C=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020157313	0	43	-1.0	-49.38	362.65	6.23	-43.15
CCN1N=C(C2CC2)C=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020157313	1	43	-1.0	-49.39	362.60	6.20	-43.19
CC1=CN2N=CC(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=C2N=C1	REAL300020157314	0	38	-1.0	-63.07	334.36	5.11	-57.96
CC1=CN2N=CC(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=C2N=C1	REAL300020157314	1	38	-1.0	-63.10	334.30	5.08	-58.02
O=C(CC1CCC2(CCC2)O1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020157315	0	44	-1.0	-44.57	357.39	6.25	-38.32
O=C(CC1CCC2(CCC2)O1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020157315	1	44	-1.0	-44.60	357.34	6.22	-38.38
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1CCOC2(CCC2)C1	REAL300020157316	0	44	-1.0	-40.61	350.37	5.27	-35.34
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1CCOC2(CCC2)C1	REAL300020157316	1	44	-1.0	-40.56	350.31	5.24	-35.32
COC1=CC2=CC=C(C=CC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=C2C=C1	REAL300020157317	0	47	-1.0	-54.20	398.68	8.31	-45.89
COC1=CC2=CC=C(C=CC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=C2C=C1	REAL300020157317	1	47	-1.0	-54.22	398.62	8.29	-45.93
O=C(CC1=NC(C2CCCCC2)=CS1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020157318	0	48	-1.0	-52.34	400.81	7.07	-45.27
O=C(CC1=NC(C2CCCCC2)=CS1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020157318	1	48	-1.0	-52.34	400.87	7.09	-45.25
O=C(CC1=NN=C(C2CCOCC2)N1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020157319	0	46	-1.0	-51.70	381.52	4.16	-47.54
O=C(CC1=NN=C(C2CCOCC2)N1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020157319	1	46	-1.0	-51.69	381.57	4.19	-47.50
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1CCC=CCCC1	REAL300020157320	0	43	-1.0	-39.24	333.58	6.64	-32.60
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1CCC=CCCC1	REAL300020157320	1	43	-1.0	-39.21	333.52	6.61	-32.60
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=NC2=CC=CC=C2C=C1C1CC1	REAL300020157321	0	45	-1.0	-45.65	375.39	8.06	-37.59
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=NC2=CC=CC=C2C=C1C1CC1	REAL300020157321	1	45	-1.0	-45.66	375.33	8.04	-37.62
CN1N=C2CCCC2=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020157322	0	40	-1.0	-52.21	339.68	5.08	-47.13
CN1N=C2CCCC2=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020157322	1	40	-1.0	-52.19	339.63	5.06	-47.13
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COC(=O)[C@@H]1CCCC[C@@H]1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020157402	0	45	-1.0	-55.47	358.01	6.78	-48.69
COC(=O)[C@@H]1CCCC[C@@H]1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020157402	1	45	-1.0	-55.47	357.96	6.75	-48.72
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CC1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(C2=CC=CC(F)=C2)=NO1	REAL300020157408	0	42	-1.0	-48.62	374.41	7.52	-41.10
CC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(C2=CC=CC(F)=C2)=NO1	REAL300020157408	1	42	-1.0	-48.59	374.35	7.50	-41.09
COC1=CC=CC(C(F)(F)C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020157409	0	40	-1.0	-41.23	352.26	5.63	-35.60
COC1=CC=CC(C(F)(F)C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020157409	1	40	-1.0	-41.27	352.20	5.60	-35.67
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CC1=CC(C#N)=CC(C)=C1CC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020157411	0	43	-1.0	-43.31	367.83	7.65	-35.66
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CC(C)(C)OC(=O)N1CCC[C@@H]2C[C@@]21C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020157451	1	54	-1.0	-46.58	421.20	7.30	-39.28
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CC1=CC=C(CC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1Cl	REAL300020157461	1	39	-1.0	-42.41	348.64	7.31	-35.10
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CC(C)C[N@@H+]1CCCC1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020157463	0	48	0.0	-58.99	367.73	6.63	-52.36
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CC1CN2CC[N@@H+]1CC2C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020157471	0	45	0.0	-63.59	341.54	2.95	-60.64
CC1CN2CC[N@H+]1CC2C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020157471	1	45	0.0	-63.29	341.19	2.92	-60.37
CC1CN2CC[N@@H+]1CC2C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020157471	1	45	0.0	-63.58	341.49	2.93	-60.65
CC1CN2CC[N@H+]1CC2C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020157471	1	45	0.0	-63.23	341.13	2.89	-60.34
CC1CN2CCN1CC2C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020157471	1	44	-1.0	-43.33	338.55	0.58	-42.75
CC1CN2CCN1CC2C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020157471	1	44	-1.0	-43.33	338.50	0.55	-42.78
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=NN2CCCC(O)C2=C1	REAL300020157472	0	41	-1.0	-45.44	346.13	1.67	-43.77
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=NN2CCCC(O)C2=C1	REAL300020157472	1	41	-1.0	-45.40	346.07	1.65	-43.75
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CC1=NN(CCCC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(C)=C1	REAL300020157475	0	45	-1.0	-47.59	378.75	6.05	-41.54
CC1=NN(CCCC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(C)=C1	REAL300020157475	1	45	-1.0	-47.61	378.81	6.07	-41.54
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CC1=C(Br)C=CC(F)=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020157477	0	36	-1.0	-52.09	336.16	6.51	-45.58
CC1=C(Br)C=CC(F)=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020157477	1	36	-1.0	-52.13	336.10	6.49	-45.64
CC1(CC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CCS(=O)(=O)N1	REAL300020157478	0	41	-1.0	-56.52	344.01	0.43	-56.09
CC1(CC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CCS(=O)(=O)N1	REAL300020157478	1	41	-1.0	-56.55	344.06	0.45	-56.10
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CC1=CC=CN2C=C(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=C12	REAL300020157482	0	40	-1.0	-58.93	343.62	7.78	-51.15
CC1=CC=CN2C=C(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=C12	REAL300020157482	1	40	-1.0	-58.95	343.56	7.76	-51.19
COC1=CC=CC(CC(C)CC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020157483	0	49	-1.0	-44.15	398.25	7.49	-36.66
COC1=CC=CC(CC(C)CC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020157483	1	49	-1.0	-44.15	398.31	7.52	-36.63
CC(C)C1CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CCO1	REAL300020157484	0	46	-1.0	-44.45	358.27	5.43	-39.02
CC(C)C1CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CCO1	REAL300020157484	1	46	-1.0	-44.44	358.21	5.41	-39.03
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COC1(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CS(=O)(=O)C1	REAL300020157488	0	37	-1.0	-47.84	320.40	0.57	-47.27
COC1(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CS(=O)(=O)C1	REAL300020157488	1	37	-1.0	-47.84	320.35	0.54	-47.30
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COC1=CC=CC(CC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020157491	0	39	-1.0	-50.11	338.60	3.23	-46.88
COC1=CC=CC(CC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020157491	1	39	-1.0	-50.09	338.54	3.21	-46.88
CC(C)(C1=NN=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)O1)S(C)(=O)=O	REAL300020157492	0	43	-1.0	-58.87	380.87	-2.77	-61.64
CC(C)(C1=NN=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)O1)S(C)(=O)=O	REAL300020157492	1	43	-1.0	-58.86	380.81	-2.79	-61.65
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O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1CS(=O)(=O)CC(=O)N1	REAL300020157494	0	37	-1.0	-50.39	331.80	-1.78	-52.17
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1CS(=O)(=O)CC(=O)N1	REAL300020157494	1	37	-1.0	-50.33	331.74	-1.81	-52.14
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1CC[C@@H]2C[C@@H]2CC1	REAL300020157495	0	43	-1.0	-46.90	328.39	6.74	-40.16
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O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=NC=C(Br)C=N1	REAL300020157496	0	31	-1.0	-51.95	302.80	3.64	-48.31
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=NC=C(Br)C=N1	REAL300020157496	1	31	-1.0	-52.00	302.74	3.62	-48.38
C[NH+](C)CCOC1=CC=C(CCC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020157497	0	55	0.0	-67.00	442.83	8.69	-58.31
C[NH+](C)CCOC1=CC=C(CCC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020157497	1	55	0.0	-66.97	442.89	8.72	-58.25
COC(=O)C1=CC=CN(CC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C1=O	REAL300020157498	0	42	-1.0	-56.15	370.28	6.35	-49.80
COC(=O)C1=CC=CN(CC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C1=O	REAL300020157498	1	42	-1.0	-56.14	370.34	6.37	-49.77
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1CCCN(CC(F)(F)F)C1=O	REAL300020157499	0	43	-1.0	-49.40	365.29	5.38	-44.02
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1CCCN(CC(F)(F)F)C1=O	REAL300020157499	1	43	-1.0	-49.36	365.34	5.40	-43.96
O=CC1=CNC2=CC=C(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=C12	REAL300020157500	0	39	-1.0	-57.45	341.99	5.35	-52.10
O=CC1=CNC2=CC=C(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=C12	REAL300020157500	1	39	-1.0	-57.42	341.93	5.32	-52.10
COC(=O)C1=CC(F)=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020157501	0	39	-1.0	-42.61	349.78	6.29	-36.32
COC(=O)C1=CC(F)=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020157501	1	39	-1.0	-42.59	349.73	6.26	-36.33
O=CC1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)N=C1	REAL300020157502	0	34	-1.0	-52.14	309.14	3.57	-48.57
O=CC1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)N=C1	REAL300020157502	1	34	-1.0	-52.16	309.08	3.55	-48.61
CN1C=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1C=O	REAL300020157503	0	36	-1.0	-44.08	317.51	4.72	-39.36
CN1C=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1C=O	REAL300020157503	1	36	-1.0	-44.04	317.45	4.70	-39.34
COC1=C(Cl)C=C([O-])C(Cl)=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020157504	0	37	-2.0	-88.65	362.48	3.90	-84.75
COC1=C(Cl)C=C([O-])C(Cl)=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020157504	1	37	-2.0	-88.63	362.42	3.87	-84.76
COC1=C(Cl)C=C(O)C(Cl)=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020157504	1	38	-1.0	-48.68	366.05	3.15	-45.53
COC1=C(Cl)C=C(O)C(Cl)=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020157504	1	38	-1.0	-48.70	365.99	3.12	-45.58
O=CC1=CC=CN1C1=CC=C(CC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020157505	0	46	-1.0	-53.20	396.09	8.76	-44.44
O=CC1=CC=CN1C1=CC=C(CC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020157505	1	46	-1.0	-53.22	396.03	8.74	-44.48
C=CC1(CC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CN(C(=O)OC(C)(C)C)C1	REAL300020157506	0	54	-1.0	-45.73	432.28	6.44	-39.29
C=CC1(CC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CN(C(=O)OC(C)(C)C)C1	REAL300020157506	1	54	-1.0	-45.73	432.34	6.46	-39.27
CC(C)C[NH+]1CCC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CC1	REAL300020157507	0	51	0.0	-64.87	389.70	7.69	-57.18
CC(C)C[NH+]1CCC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CC1	REAL300020157507	1	51	0.0	-64.87	389.75	7.71	-57.16
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1CC2(C1)CS(=O)(=O)C2	REAL300020157508	0	40	-1.0	-47.70	347.57	2.25	-45.45
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1CC2(C1)CS(=O)(=O)C2	REAL300020157508	1	40	-1.0	-47.65	347.63	2.28	-45.37
NS(=O)(=O)C1=C(Cl)OC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020157509	0	35	-1.0	-52.85	345.40	-0.96	-53.81
NS(=O)(=O)C1=C(Cl)OC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020157509	1	35	-1.0	-52.84	345.46	-0.94	-53.78
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CN(C(F)(F)CO)N=N1	REAL300020157510	0	36	-1.0	-50.35	333.22	-0.43	-50.78
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CC(C)N1C=CN=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020157512	0	39	-1.0	-43.23	330.70	5.50	-37.73
CC(C)N1C=CN=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020157512	1	39	-1.0	-43.20	330.64	5.47	-37.73
COC1=NSC(OC)=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020157513	0	37	-1.0	-55.05	341.71	0.76	-54.29
COC1=NSC(OC)=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020157513	1	37	-1.0	-55.05	341.65	0.73	-54.32
CC1=CC=C(C#N)C=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020157514	0	37	-1.0	-44.08	325.01	6.65	-37.43
CC1=CC=C(C#N)C=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020157514	1	37	-1.0	-44.10	324.96	6.62	-37.48
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1(CCC2=CC=CC=C2)CC1	REAL300020157515	0	46	-1.0	-43.09	387.40	9.04	-34.05
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1(CCC2=CC=CC=C2)CC1	REAL300020157515	1	46	-1.0	-43.07	387.34	9.02	-34.05
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O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=CC=C1S(=O)C(F)(F)F	REAL300020157516	1	38	-1.0	-69.08	351.83	5.98	-63.10
CC1(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CCOC2=CC=CC=C21	REAL300020157517	0	44	-1.0	-44.21	351.88	6.46	-37.75
CC1(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CCOC2=CC=CC=C21	REAL300020157517	1	44	-1.0	-44.21	351.83	6.43	-37.78
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CC(CC1=CC=C(Cl)C(Cl)=C1)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020159499	0	42	-1.0	-40.38	382.12	8.46	-31.92
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CC(C)(C)OC(=O)NCC(NC(=O)CCC1=NN=N[N-]1)C(F)(F)F	REAL300020160243	1	42	-1.0	-40.84	359.13	0.93	-39.91
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CC(C)C[C@H](CNC(=O)CCC1=NN=N[N-]1)CC(=O)OC1CCOC1	REAL300020160244	1	51	-1.0	-41.92	397.77	4.97	-36.95
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O=C(CCC1=N[N-]N=N1)NCCCC1=NC(C2=CC=CC=N2)=CS1	REAL300020160246	0	40	-1.0	-44.28	360.91	3.36	-40.92
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O=C(CCC1=NN=N[N-]1)NCCCCC1=NC(C2=CC=CC=N2)=CS1	REAL300020160247	1	43	-1.0	-45.50	382.47	4.15	-41.35
CN(C1=CC=CC(C#N)=C1)C1CCN(C(=O)CCC2=N[N-]N=N2)C1	REAL300020160248	0	42	-1.0	-43.47	347.61	5.72	-37.75
CN(C1=CC=CC(C#N)=C1)C1CCN(C(=O)CCC2=NN=N[N-]2)C1	REAL300020160248	1	42	-1.0	-43.46	347.66	5.73	-37.73
COCCOC(=O)C[C@@H](CNC(=O)CCC1=N[N-]N=N1)CC(C)C	REAL300020160249	0	50	-1.0	-42.24	396.52	4.76	-37.48
COCCOC(=O)C[C@@H](CNC(=O)CCC1=NN=N[N-]1)CC(C)C	REAL300020160249	1	50	-1.0	-42.29	396.58	4.77	-37.52
O=C(CCC1=N[N-]N=N1)NCC1=NC(C2=CC=CC=N2)=CS1	REAL300020160250	0	34	-1.0	-42.28	317.91	1.82	-40.46
O=C(CCC1=NN=N[N-]1)NCC1=NC(C2=CC=CC=N2)=CS1	REAL300020160250	1	34	-1.0	-42.26	317.97	1.83	-40.43
CC1=C(Br)C=CC=C1CNC(=O)CCC1=N[N-]N=N1	REAL300020160251	0	32	-1.0	-38.68	292.98	3.72	-34.96
CC1=C(Br)C=CC=C1CNC(=O)CCC1=NN=N[N-]1	REAL300020160251	1	32	-1.0	-38.69	293.04	3.73	-34.96
CN(CC1=CC=C2OC(F)(F)OC2=C1)C(=O)CCC1=N[N-]N=N1	REAL300020160252	0	35	-1.0	-45.38	314.37	3.91	-41.47
CN(CC1=CC=C2OC(F)(F)OC2=C1)C(=O)CCC1=NN=N[N-]1	REAL300020160252	1	35	-1.0	-45.38	314.43	3.92	-41.46
CC1=CC=C(C(NC(=O)CCC2=N[N-]N=N2)C(F)(F)F)O1	REAL300020160253	0	32	-1.0	-39.80	296.26	2.83	-36.97
CC1=CC=C(C(NC(=O)CCC2=NN=N[N-]2)C(F)(F)F)O1	REAL300020160253	1	32	-1.0	-39.81	296.31	2.83	-36.98
CC1(C)CCC2=CC(NC(=O)CCC3=N[N-]N=N3)=CC=C2O1	REAL300020160254	0	40	-1.0	-41.97	322.42	4.39	-37.58
CC1(C)CCC2=CC(NC(=O)CCC3=NN=N[N-]3)=CC=C2O1	REAL300020160254	1	40	-1.0	-42.01	322.48	4.41	-37.60
CC(C)N(C)C(=O)C1=CC=CC=C1NC(=O)CCC1=N[N-]N=N1	REAL300020160255	0	42	-1.0	-44.88	338.21	4.26	-40.62
CC(C)N(C)C(=O)C1=CC=CC=C1NC(=O)CCC1=NN=N[N-]1	REAL300020160255	1	42	-1.0	-44.92	338.27	4.28	-40.64
O=C(CCC1=N[N-]N=N1)NCC1CCCN(C(=O)C(F)(F)F)C1	REAL300020160256	0	39	-1.0	-43.06	331.31	2.19	-40.87
O=C(CCC1=NN=N[N-]1)NCC1CCCN(C(=O)C(F)(F)F)C1	REAL300020160256	1	39	-1.0	-43.11	331.37	2.21	-40.90
COC(=O)C1=C(NC(=O)CCC2=N[N-]N=N2)SC(C)=C1C	REAL300020160257	0	35	-1.0	-40.45	317.85	3.76	-36.69
COC(=O)C1=C(NC(=O)CCC2=NN=N[N-]2)SC(C)=C1C	REAL300020160257	1	35	-1.0	-40.50	317.91	3.77	-36.73
CCOC(=O)C1=C(NC(=O)CCC2=N[N-]N=N2)SC=C1C1CC1	REAL300020160258	0	39	-1.0	-39.98	348.62	5.39	-34.59
CCOC(=O)C1=C(NC(=O)CCC2=NN=N[N-]2)SC=C1C1CC1	REAL300020160258	1	39	-1.0	-39.96	348.68	5.41	-34.55
CC(C)CNC(=O)C1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1	REAL300020160259	0	42	-1.0	-41.79	350.01	3.20	-38.59
CC(C)CNC(=O)C1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1	REAL300020160259	1	42	-1.0	-41.83	350.07	3.22	-38.61
CCOC(=O)C1=C(C)N=C(NC(=O)CCC2=N[N-]N=N2)S1	REAL300020160260	0	34	-1.0	-38.00	311.22	2.93	-35.07
CCOC(=O)C1=C(C)N=C(NC(=O)CCC2=NN=N[N-]2)S1	REAL300020160260	1	34	-1.0	-37.99	311.27	2.95	-35.04
CCOC(=O)C1=C(C)N=C([N-]C(=O)CCC2=N[N-]N=N2)S1	REAL300020160260	1	33	-2.0	-84.63	307.92	1.81	-82.82
CC1=C(I)C(NC(=O)CCC2=N[N-]N=N2)=NN1	REAL300020160261	0	26	-1.0	-43.03	261.26	1.82	-41.21
CC1=C(I)C(NC(=O)CCC2=NN=N[N-]2)=NN1	REAL300020160261	1	26	-1.0	-43.05	261.32	1.84	-41.21
O=C(CCC1=N[N-]N=N1)NC1=CC=C(Cl)C=C1C(O)C1=CC=CC=C1	REAL300020160262	0	40	-1.0	-40.16	350.11	4.93	-35.23
O=C(CCC1=NN=N[N-]1)NC1=CC=C(Cl)C=C1C(O)C1=CC=CC=C1	REAL300020160262	1	40	-1.0	-40.15	350.17	4.95	-35.20
O=C(CCC1=N[N-]N=N1)NC1=NNC(C2=CC=C(Br)S2)=C1	REAL300020160263	0	30	-1.0	-40.89	303.94	3.38	-37.51
O=C(CCC1=NN=N[N-]1)NC1=NNC(C2=CC=C(Br)S2)=C1	REAL300020160263	1	30	-1.0	-40.85	303.99	3.40	-37.45
C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)CCC1=N[N-]N=N1	REAL300020160264	0	38	-2.0	-82.65	319.87	1.34	-81.31
C[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)CCC1=N[N-]N=N1	REAL300020160264	1	39	-1.0	-39.19	325.19	3.03	-36.16
C[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)CCC1=NN=N[N-]1	REAL300020160264	1	39	-1.0	-39.21	325.25	3.05	-36.16
C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)CCC1=NN=N[N-]1	REAL300020160264	1	38	-2.0	-82.63	319.93	1.35	-81.28
O=C(CCC1=N[N-]N=N1)NC(CC1CCCO1)C(F)(F)F	REAL300020160265	0	36	-1.0	-41.73	310.19	2.17	-39.56
O=C(CCC1=NN=N[N-]1)NC(CC1CCCO1)C(F)(F)F	REAL300020160265	1	36	-1.0	-41.74	310.25	2.18	-39.56
CC(C)N(CC1=NN=C(C2=CC=CC([N+](=O)[O-])=C2)O1)C(=O)CCC1=N[N-]N=N1	REAL300020160266	0	45	-1.0	-53.05	388.43	2.85	-50.20
CC(C)N(CC1=NN=C(C2=CC=CC([N+](=O)[O-])=C2)O1)C(=O)CCC1=NN=N[N-]1	REAL300020160266	1	45	-1.0	-53.04	388.48	2.87	-50.17
O=C(CCC1=N[N-]N=N1)N1CCC2(CC1)CC[NH+](CC1=CC=CC=C1)CC2	REAL300020160267	0	55	0.0	-68.72	399.65	8.68	-60.04
O=C(CCC1=NN=N[N-]1)N1CCC2(CC1)CC[NH+](CC1=CC=CC=C1)CC2	REAL300020160267	1	55	0.0	-68.72	399.70	8.69	-60.03
CC(C)(C)OC(=O)C1=CC=C(NC(=O)CCC2=NN=N[N-]2)N=C1	REAL300020160268	0	40	-1.0	-43.79	337.57	4.97	-38.82
CC(C)(C)OC(=O)C1=CC=C(NC(=O)CCC2=N[N-]N=N2)N=C1	REAL300020160268	1	40	-1.0	-43.80	337.51	4.95	-38.85
COC(=O)CC1CC2=CC=CC=C2N1C(=O)CCC1=N[N-]N=N1	REAL300020160269	0	39	-1.0	-40.55	323.35	5.90	-34.65
COC(=O)CC1CC2=CC=CC=C2N1C(=O)CCC1=NN=N[N-]1	REAL300020160269	1	39	-1.0	-40.55	323.41	5.91	-34.64
CCN(CC)CC1=CSC(NC(=O)CCC2=N[N-]N=N2)=N1	REAL300020160270	0	39	-1.0	-37.61	325.06	1.74	-35.87
CCN(CC)CC1=CSC(NC(=O)CCC2=NN=N[N-]2)=N1	REAL300020160270	1	39	-1.0	-37.64	325.12	1.76	-35.88
CC(C)(C)OC(=O)N1CC(N(C(=O)CCC2=N[N-]N=N2)C2CC2)C1	REAL300020160271	0	47	-1.0	-44.74	361.60	4.32	-40.42
CC(C)(C)OC(=O)N1CC(N(C(=O)CCC2=NN=N[N-]2)C2CC2)C1	REAL300020160271	1	47	-1.0	-44.74	361.65	4.34	-40.40
O=C(CCC1=NN=N[N-]1)NC1=C(C2=CC=CN=C2)N=C2C=CC=CN21	REAL300020160272	0	38	-1.0	-44.10	327.62	5.94	-38.16
O=C(CCC1=N[N-]N=N1)NC1=C(C2=CC=CN=C2)N=C2C=CC=CN21	REAL300020160272	1	38	-1.0	-44.10	327.54	5.92	-38.18
COC(=O)CC(NC(=O)CCC1=N[N-]N=N1)C1=CC=NC=C1	REAL300020160273	0	37	-1.0	-46.62	326.27	3.03	-43.59
COC(=O)CC(NC(=O)CCC1=NN=N[N-]1)C1=CC=NC=C1	REAL300020160273	1	37	-1.0	-46.56	326.32	3.05	-43.51
O=C(CCC1=N[N-]N=N1)NC(C1CC1)C1(CO)CCOCC1	REAL300020160274	0	44	-1.0	-40.76	324.61	0.83	-39.93
O=C(CCC1=NN=N[N-]1)NC(C1CC1)C1(CO)CCOCC1	REAL300020160274	1	44	-1.0	-40.78	324.67	0.84	-39.94
O=C(CCC1=N[N-]N=N1)NCC1=NC2=CC=C(Br)C=C2O1	REAL300020160275	0	31	-1.0	-39.92	301.20	0.31	-39.61
O=C(CCC1=NN=N[N-]1)NCC1=NC2=CC=C(Br)C=C2O1	REAL300020160275	1	31	-1.0	-39.91	301.25	0.32	-39.59
COC1(OC)CC2(CN(C(=O)CCC3=N[N-]N=N3)C2C2=CC=CC=C2)C1	REAL300020160276	0	48	-1.0	-41.98	391.13	6.05	-35.93
COC1(OC)CC2(CN(C(=O)CCC3=NN=N[N-]3)C2C2=CC=CC=C2)C1	REAL300020160276	1	48	-1.0	-41.99	391.19	6.06	-35.93
COC1(OC)CC2(CN(C(=O)CCC3=N[N-]N=N3)C2C(C)C)C1	REAL300020160277	0	47	-1.0	-41.53	367.97	4.07	-37.46
COC1(OC)CC2(CN(C(=O)CCC3=NN=N[N-]3)C2C(C)C)C1	REAL300020160277	1	47	-1.0	-41.55	368.02	4.08	-37.47
CC(C)(C)OC(=O)NC1CC(NC(=O)CCC2=N[N-]N=N2)C12CCC2	REAL300020160278	0	50	-1.0	-42.29	392.37	2.90	-39.39
CC(C)(C)OC(=O)NC1CC(NC(=O)CCC2=NN=N[N-]2)C12CCC2	REAL300020160278	1	50	-1.0	-42.30	392.43	2.91	-39.39
O=C(CCC1=NN=N[N-]1)N1CCN(C2=CC=C(F)C=N2)CC1	REAL300020160279	0	37	-1.0	-40.91	308.05	3.29	-37.62
O=C(CCC1=N[N-]N=N1)N1CCN(C2=CC=C(F)C=N2)CC1	REAL300020160279	1	37	-1.0	-40.91	308.00	3.28	-37.63
O=C(CCC1=N[N-]N=N1)N1CCN(CC(F)(F)CO)CC1	REAL300020160280	0	38	-1.0	-43.76	304.51	-1.68	-45.44
O=C(CCC1=NN=N[N-]1)N1CCN(CC(F)(F)CO)CC1	REAL300020160280	1	38	-1.0	-43.74	304.57	-1.67	-45.41
O=C(CCC1=N[N-]N=N1)NC(CC1=CC=CC=C1)C1=NOC=N1	REAL300020160281	0	37	-1.0	-45.10	326.82	2.05	-43.05
O=C(CCC1=NN=N[N-]1)NC(CC1=CC=CC=C1)C1=NOC=N1	REAL300020160281	1	37	-1.0	-45.10	326.88	2.07	-43.03
CC1=CC=C(C2=CC(NC(=O)CCC3=N[N-]N=N3)=NN2)S1	REAL300020160282	0	33	-1.0	-41.98	304.15	3.45	-38.53
CC1=CC=C(C2=CC(NC(=O)CCC3=NN=N[N-]3)=NN2)S1	REAL300020160282	1	33	-1.0	-42.02	304.21	3.47	-38.55
O=C(CCC1=N[N-]N=N1)N1CCCCC1C(O)C1=CC=CC=C1	REAL300020160283	0	43	-1.0	-41.96	327.89	5.34	-36.62
O=C(CCC1=NN=N[N-]1)N1CCCCC1C(O)C1=CC=CC=C1	REAL300020160283	1	43	-1.0	-41.92	327.95	5.36	-36.56
CN(C)C1=CC=C(CN(CC(F)(F)F)C(=O)CCC2=N[N-]N=N2)C=C1	REAL300020160284	0	43	-1.0	-42.25	360.37	6.40	-35.85
CN(C)C1=CC=C(CN(CC(F)(F)F)C(=O)CCC2=NN=N[N-]2)C=C1	REAL300020160284	1	43	-1.0	-42.27	360.43	6.42	-35.85
O=C(CCC1=NN=N[N-]1)NC1=CC=C2N=C(Cl)SC2=C1	REAL300020160285	0	28	-1.0	-40.49	280.55	2.55	-37.94
O=C(CCC1=N[N-]N=N1)NC1=CC=C2N=C(Cl)SC2=C1	REAL300020160285	1	28	-1.0	-40.48	280.49	2.54	-37.94
CC(C)CCOC1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1F	REAL300020160286	0	42	-1.0	-39.02	349.65	4.97	-34.05
CC(C)CCOC1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1F	REAL300020160286	1	42	-1.0	-39.03	349.70	4.99	-34.04
COC(=O)C1(NC(=O)CCC2=N[N-]N=N2)CCC[N@H+](CC2=CC=CC=C2)C1	REAL300020160287	0	51	0.0	-65.23	396.25	7.54	-57.69
COC(=O)C1(NC(=O)CCC2=N[N-]N=N2)CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300020160287	1	51	0.0	-68.60	396.80	6.28	-62.32
COC(=O)C1(NC(=O)CCC2=NN=N[N-]2)CCC[N@H+](CC2=CC=CC=C2)C1	REAL300020160287	1	51	0.0	-65.25	396.31	7.56	-57.69
COC(=O)C1(NC(=O)CCC2=NN=N[N-]2)CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300020160287	1	51	0.0	-68.63	396.86	6.30	-62.33
COC(=O)C1(NC(=O)CCC2=N[N-]N=N2)CCCN(CC2=CC=CC=C2)C1	REAL300020160287	1	50	-1.0	-40.53	392.31	4.92	-35.61
COC(=O)C1(NC(=O)CCC2=NN=N[N-]2)CCCN(CC2=CC=CC=C2)C1	REAL300020160287	1	50	-1.0	-40.55	392.37	4.94	-35.61
CCCCC1CCC(C2=CC(NC(=O)CCC3=N[N-]N=N3)=NN2)CC1	REAL300020160288	0	51	-1.0	-39.68	396.77	6.62	-33.06
CCCCC1CCC(C2=CC(NC(=O)CCC3=NN=N[N-]3)=NN2)CC1	REAL300020160288	1	51	-1.0	-39.70	396.82	6.63	-33.07
COC(=O)[C@@H]1CN(C(=O)CCC2=N[N-]N=N2)C[C@H]1C1=CC=C(Cl)C=C1	REAL300020160289	0	42	-1.0	-41.48	369.23	6.63	-34.85
COC(=O)[C@@H]1CN(C(=O)CCC2=NN=N[N-]2)C[C@H]1C1=CC=C(Cl)C=C1	REAL300020160289	1	42	-1.0	-41.47	369.28	6.64	-34.83
COC(=O)[C@]12CN(C(=O)CCC3=N[N-]N=N3)C[C@H]1CCCC2	REAL300020160290	0	42	-1.0	-44.50	330.12	4.89	-39.61
COC(=O)[C@]12CN(C(=O)CCC3=NN=N[N-]3)C[C@H]1CCCC2	REAL300020160290	1	42	-1.0	-44.53	330.18	4.91	-39.62
O=C(CCC1=N[N-]N=N1)NC1=CC(C(F)(F)F)=CC=C1N1CCNC(=O)C1	REAL300020160291	0	42	-1.0	-45.07	362.44	1.42	-43.65
O=C(CCC1=NN=N[N-]1)NC1=CC(C(F)(F)F)=CC=C1N1CCNC(=O)C1	REAL300020160291	1	42	-1.0	-45.11	362.50	1.43	-43.68
O=C(CCC1=N[N-]N=N1)N1CCN(C2=CC(Cl)=C(Cl)C(Cl)=C2)CC1	REAL300020160292	0	38	-1.0	-38.96	350.90	5.21	-33.75
O=C(CCC1=NN=N[N-]1)N1CCN(C2=CC(Cl)=C(Cl)C(Cl)=C2)CC1	REAL300020160292	1	38	-1.0	-38.96	350.96	5.22	-33.74
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CC(C)(C)OC(=O)NCC1(CCNC(=O)CCC2=NN=N[N-]2)CC1	REAL300020160417	1	49	-1.0	-44.19	395.97	2.40	-41.79
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CC1=CC(OC2=CC=CC(F)=C2NC(=O)CCC2=N[N-]N=N2)=CC(C)=C1	REAL300020160425	0	43	-1.0	-43.96	368.50	6.94	-37.02
CC1=CC(OC2=CC=CC(F)=C2NC(=O)CCC2=NN=N[N-]2)=CC(C)=C1	REAL300020160425	1	43	-1.0	-43.94	368.56	6.95	-36.99
CCO[C@@H]1CN(C(=O)CCC2=N[N-]N=N2)C[C@H]1CNC(=O)OC(C)(C)C	REAL300020160426	0	53	-1.0	-42.45	422.76	2.41	-40.04
CCO[C@@H]1CN(C(=O)CCC2=NN=N[N-]2)C[C@H]1CNC(=O)OC(C)(C)C	REAL300020160426	1	53	-1.0	-42.45	422.82	2.43	-40.02
CN1C=C([C@@H]2OCCC[C@H]2C(=O)NNC(=O)CCC2=N[N-]N=N2)C=N1	REAL300020160427	0	44	-1.0	-42.41	365.05	0.68	-41.73
CN1C=C([C@@H]2OCCC[C@H]2C(=O)NNC(=O)CCC2=NN=N[N-]2)C=N1	REAL300020160427	1	44	-1.0	-42.41	365.11	0.70	-41.71
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CC1=CC=C(N(CC(C)C)C(=O)CCC2=NN=N[N-]2)C(C)=C1	REAL300020160428	1	44	-1.0	-40.16	339.38	7.74	-32.42
CCC(OCCNC(=O)CCC1=N[N-]N=N1)C1=CC=CC=C1	REAL300020160429	0	42	-1.0	-40.59	353.70	4.37	-36.22
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CC(C)(C)OC(=O)CN(CC1CC1)C(=O)CCC1=N[N-]N=N1	REAL300020160430	0	44	-1.0	-43.28	356.11	6.66	-36.62
CC(C)(C)OC(=O)CN(CC1CC1)C(=O)CCC1=NN=N[N-]1	REAL300020160430	1	44	-1.0	-43.24	356.17	6.68	-36.56
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CC[N@H+](CCCNC(=O)CCC1=N[N-]N=N1)C1CCCCC1	REAL300020160433	0	50	0.0	-61.99	365.93	5.14	-56.85
CC[N@@H+](CCCNC(=O)CCC1=N[N-]N=N1)C1CCCCC1	REAL300020160433	1	50	0.0	-62.02	366.85	5.17	-56.85
CC[N@H+](CCCNC(=O)CCC1=NN=N[N-]1)C1CCCCC1	REAL300020160433	1	50	0.0	-62.01	365.99	5.15	-56.86
CC[N@@H+](CCCNC(=O)CCC1=NN=N[N-]1)C1CCCCC1	REAL300020160433	1	50	0.0	-61.99	366.91	5.19	-56.80
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CC(C)(C)OC(=O)N1CCC(NC(=O)CCC2=N[N-]N=N2)C12CCCC2	REAL300020160435	0	53	-1.0	-41.81	395.55	5.10	-36.71
CC(C)(C)OC(=O)N1CCC(NC(=O)CCC2=NN=N[N-]2)C12CCCC2	REAL300020160435	1	53	-1.0	-41.82	395.61	5.12	-36.70
CC(C)(C)OC(=O)[C@@H]1CC[C@H](NC(=O)CCC2=N[N-]N=N2)C1	REAL300020160436	0	44	-1.0	-41.27	350.35	4.49	-36.78
CC(C)(C)OC(=O)[C@@H]1CC[C@H](NC(=O)CCC2=NN=N[N-]2)C1	REAL300020160436	1	44	-1.0	-41.27	350.41	4.51	-36.76
CCCCC[N@H+](CCNC(=O)CCC1=N[N-]N=N1)CC1=CC=CC=C1	REAL300020160437	0	53	0.0	-63.19	403.32	6.93	-56.26
CCCCC[N@@H+](CCNC(=O)CCC1=N[N-]N=N1)CC1=CC=CC=C1	REAL300020160437	1	53	0.0	-63.08	403.26	6.93	-56.15
CCCCC[N@H+](CCNC(=O)CCC1=NN=N[N-]1)CC1=CC=CC=C1	REAL300020160437	1	53	0.0	-63.21	403.38	6.94	-56.27
CCCCC[N@@H+](CCNC(=O)CCC1=NN=N[N-]1)CC1=CC=CC=C1	REAL300020160437	1	53	0.0	-63.13	403.32	6.94	-56.19
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O=C(CCC1=NN=N[N-]1)NNC1=CC=CC=C1CC1=CC=CC=C1	REAL300020160438	1	41	-1.0	-40.90	342.78	6.74	-34.16
O=C(CCC1=N[N-]N=N1)NNC1=CC=CC=C1OC1=CC=CC=C1	REAL300020160439	0	39	-1.0	-42.23	337.70	5.18	-37.05
O=C(CCC1=NN=N[N-]1)NNC1=CC=CC=C1OC1=CC=CC=C1	REAL300020160439	1	39	-1.0	-42.27	337.76	5.20	-37.07
CC1=CC=CC(Br)=C1NNC(=O)CCC1=N[N-]N=N1	REAL300020160440	0	31	-1.0	-39.42	284.49	3.94	-35.48
CC1=CC=CC(Br)=C1NNC(=O)CCC1=NN=N[N-]1	REAL300020160440	1	31	-1.0	-39.43	284.55	3.95	-35.48
O=C(CCC1=N[N-]N=N1)NNC(=O)CSC1=CC=CC=C1[N+](=O)[O-]	REAL300020160441	0	36	-1.0	-51.00	337.16	3.11	-47.89
O=C(CCC1=NN=N[N-]1)NNC(=O)CSC1=CC=CC=C1[N+](=O)[O-]	REAL300020160441	1	36	-1.0	-51.01	337.21	3.13	-47.88
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COC1=CC=C(C2CCCN2C(=O)CCC2=NN=N[N-]2)C=C1F	REAL300020160495	1	40	-1.0	-43.26	335.00	5.53	-37.73
O=C(CCC1=N[N-]N=N1)NCC1=CC=C(C2=CC=CS2)C=C1	REAL300020160496	0	36	-1.0	-39.98	324.95	5.32	-34.66
O=C(CCC1=NN=N[N-]1)NCC1=CC=C(C2=CC=CS2)C=C1	REAL300020160496	1	36	-1.0	-39.97	325.01	5.33	-34.64
O=C(CCC1=N[N-]N=N1)N1CCC2(C3=CC=CC=C3)C(C1)C2(F)F	REAL300020160497	0	40	-1.0	-38.64	331.44	6.85	-31.79
O=C(CCC1=NN=N[N-]1)N1CCC2(C3=CC=CC=C3)C(C1)C2(F)F	REAL300020160497	1	40	-1.0	-38.65	331.50	6.86	-31.79
O=C(CCC1=N[N-]N=N1)NC1=CC=C2CCCCC(O)C2=C1	REAL300020160498	0	40	-1.0	-40.18	315.88	2.77	-37.41
O=C(CCC1=NN=N[N-]1)NC1=CC=C2CCCCC(O)C2=C1	REAL300020160498	1	40	-1.0	-40.15	315.93	2.78	-37.37
O=C(CCC1=N[N-]N=N1)NCC1=CC=CC(OC2CC2)=C1F	REAL300020160499	0	37	-1.0	-44.59	323.52	3.70	-40.89
O=C(CCC1=NN=N[N-]1)NCC1=CC=CC(OC2CC2)=C1F	REAL300020160499	1	37	-1.0	-44.62	323.57	3.71	-40.91
CC1(CC2=CC=C(OC(F)(F)F)C=C2)CCCN1C(=O)CCC1=N[N-]N=N1	REAL300020160500	0	46	-1.0	-40.93	375.05	6.57	-34.36
CC1(CC2=CC=C(OC(F)(F)F)C=C2)CCCN1C(=O)CCC1=NN=N[N-]1	REAL300020160500	1	46	-1.0	-40.91	375.11	6.59	-34.32
O=C(CCC1=N[N-]N=N1)N1CCN(C2=CC=C(Cl)C(Cl)=C2)CC1	REAL300020160501	0	38	-1.0	-39.22	335.73	4.75	-34.47
O=C(CCC1=NN=N[N-]1)N1CCN(C2=CC=C(Cl)C(Cl)=C2)CC1	REAL300020160501	1	38	-1.0	-39.20	335.79	4.76	-34.44
O=C(CCC1=N[N-]N=N1)N1CCN(C2=CC=C(Cl)C=C2Cl)CC1	REAL300020160502	0	38	-1.0	-38.56	334.31	4.90	-33.66
O=C(CCC1=NN=N[N-]1)N1CCN(C2=CC=C(Cl)C=C2Cl)CC1	REAL300020160502	1	38	-1.0	-38.57	334.37	4.92	-33.65
O=C(CCC1=N[N-]N=N1)NC1=CC=C(I)C=C1F	REAL300020160503	0	26	-1.0	-36.23	264.39	3.80	-32.43
O=C(CCC1=NN=N[N-]1)NC1=CC=C(I)C=C1F	REAL300020160503	1	26	-1.0	-36.26	264.45	3.81	-32.45
CC1=CC(Br)=C(Cl)C=C1NC(=O)CCC1=N[N-]N=N1	REAL300020160504	0	29	-1.0	-39.34	285.39	4.50	-34.84
CC1=CC(Br)=C(Cl)C=C1NC(=O)CCC1=NN=N[N-]1	REAL300020160504	1	29	-1.0	-39.33	285.45	4.51	-34.82
O=C(CCC1=N[N-]N=N1)NCC(OC1CCCC1)C(F)(F)F	REAL300020160505	0	39	-1.0	-39.34	333.12	2.90	-36.44
O=C(CCC1=NN=N[N-]1)NCC(OC1CCCC1)C(F)(F)F	REAL300020160505	1	39	-1.0	-39.32	333.18	2.91	-36.41
CC(C)(C)OC(=O)N1CC[C@H](NC(=O)CCC2=N[N-]N=N2)C1	REAL300020160506	0	43	-1.0	-44.87	347.82	2.27	-42.60
CC(C)(C)OC(=O)N1CC[C@H](NC(=O)CCC2=NN=N[N-]2)C1	REAL300020160506	1	43	-1.0	-44.90	347.88	2.28	-42.62
CCN1C=C([C@@H]2OCCC[C@H]2CNC(=O)CCC2=NN=N[N-]2)C=N1	REAL300020160507	0	46	-1.0	-42.95	372.91	2.95	-40.00
CCN1C=C([C@@H]2OCCC[C@H]2CNC(=O)CCC2=N[N-]N=N2)C=N1	REAL300020160507	1	46	-1.0	-42.95	372.85	2.93	-40.02
C[C@H]1[C@H](C2=CC=C(Br)C=C2)OCCN1C(=O)CCC1=N[N-]N=N1	REAL300020160508	0	40	-1.0	-38.13	339.49	5.33	-32.80
C[C@H]1[C@H](C2=CC=C(Br)C=C2)OCCN1C(=O)CCC1=NN=N[N-]1	REAL300020160508	1	40	-1.0	-38.16	339.54	5.34	-32.82
CC[N@@H+]1CCCC(CN(C)C(=O)CCC2=NN=N[N-]2)C1C1=CN(C)N=C1	REAL300020160509	0	54	0.0	-68.32	394.17	5.75	-62.57
CC[N@H+]1CCCC(CN(C)C(=O)CCC2=NN=N[N-]2)C1C1=CN(C)N=C1	REAL300020160509	1	54	0.0	-58.13	391.60	6.30	-51.83
CC[N@@H+]1CCCC(CN(C)C(=O)CCC2=N[N-]N=N2)C1C1=CN(C)N=C1	REAL300020160509	1	54	0.0	-68.31	394.11	5.74	-62.57
CC[N@H+]1CCCC(CN(C)C(=O)CCC2=N[N-]N=N2)C1C1=CN(C)N=C1	REAL300020160509	1	54	0.0	-58.11	391.54	6.28	-51.83
COC1=CC=CC=C1C(C)N(OC)C(=O)CCC1=N[N-]N=N1	REAL300020160510	0	40	-1.0	-40.68	327.58	4.24	-36.44
COC1=CC=CC=C1C(C)N(OC)C(=O)CCC1=NN=N[N-]1	REAL300020160510	1	40	-1.0	-40.65	327.64	4.25	-36.40
CC(C)(C)OC(=O)N1CCC2(CC(=O)NN2C(=O)CCC2=N[N-]N=N2)C1	REAL300020160511	0	48	-1.0	-48.29	378.03	3.12	-45.17
CC(C)(C)OC(=O)N1CCC2(CC(=O)NN2C(=O)CCC2=NN=N[N-]2)C1	REAL300020160511	1	48	-1.0	-48.28	378.09	3.13	-45.15
COC1=CC=CC(C2=CSC(NC(=O)CCC3=NN=N[N-]3)=N2)=C1	REAL300020160512	0	36	-1.0	-42.02	324.13	3.78	-38.24
COC1=CC=CC(C2=CSC(NC(=O)CCC3=N[N-]N=N3)=N2)=C1	REAL300020160512	1	36	-1.0	-41.99	324.07	3.76	-38.23
N#CC1=CC=C(Br)C(NNC(=O)CCC2=N[N-]N=N2)=C1	REAL300020160513	0	29	-1.0	-40.74	287.70	3.26	-37.48
N#CC1=CC=C(Br)C(NNC(=O)CCC2=NN=N[N-]2)=C1	REAL300020160513	1	29	-1.0	-40.72	287.76	3.28	-37.44
CC(C)(C)OC(=O)C(NC(=O)CCC1=N[N-]N=N1)C1=CC=CC=C1	REAL300020160514	0	44	-1.0	-40.40	365.40	5.92	-34.48
CC(C)(C)OC(=O)C(NC(=O)CCC1=NN=N[N-]1)C1=CC=CC=C1	REAL300020160514	1	44	-1.0	-40.34	365.46	5.93	-34.41
O=C(CCC1=N[N-]N=N1)N1CCCCC1C1CCCN(C(=O)C(F)(F)F)C1	REAL300020160515	0	49	-1.0	-41.07	372.53	5.21	-35.86
O=C(CCC1=NN=N[N-]1)N1CCCCC1C1CCCN(C(=O)C(F)(F)F)C1	REAL300020160515	1	49	-1.0	-41.06	372.58	5.22	-35.84
CCC(CN(C)CCC[NH+](C)C)NC(=O)CCC1=N[N-]N=N1	REAL300020160516	0	51	0.0	-53.86	389.63	3.33	-50.53
CCC(CN(C)CCC[NH+](C)C)NC(=O)CCC1=NN=N[N-]1	REAL300020160516	1	51	0.0	-53.87	389.69	3.35	-50.52
CCCC(C(=O)OCC)N1C=CC(NC(=O)CCC2=NN=N[N-]2)=N1	REAL300020160517	0	44	-1.0	-42.35	368.68	5.21	-37.14
CCCC(C(=O)OCC)N1C=CC(NC(=O)CCC2=N[N-]N=N2)=N1	REAL300020160517	1	44	-1.0	-42.39	368.63	5.20	-37.19
COC(=O)C1=CC=CC(NNC(=O)CCC2=N[N-]N=N2)=C1C	REAL300020160518	0	37	-1.0	-41.65	315.39	3.46	-38.19
COC(=O)C1=CC=CC(NNC(=O)CCC2=NN=N[N-]2)=C1C	REAL300020160518	1	37	-1.0	-41.64	315.45	3.47	-38.17
O=C(CCC1=N[N-]N=N1)NCC1=CC=C(N2CCS(=O)(=O)CC2)C=C1	REAL300020160519	0	44	-1.0	-47.36	370.61	0.15	-47.21
O=C(CCC1=NN=N[N-]1)NCC1=CC=C(N2CCS(=O)(=O)CC2)C=C1	REAL300020160519	1	44	-1.0	-47.36	370.67	0.16	-47.20
COC(=O)C1=NC(CNC(=O)CCC2=N[N-]N=N2)=CC=C1Cl	REAL300020160520	0	34	-1.0	-43.94	320.88	1.86	-42.08
COC(=O)C1=NC(CNC(=O)CCC2=NN=N[N-]2)=CC=C1Cl	REAL300020160520	1	34	-1.0	-43.91	320.93	1.87	-42.04
O=C(CCC1=N[N-]N=N1)NC1(CC2=CC=C(Cl)C=C2)CCCOC1	REAL300020160521	0	43	-1.0	-40.86	352.92	4.99	-35.87
O=C(CCC1=NN=N[N-]1)NC1(CC2=CC=C(Cl)C=C2)CCCOC1	REAL300020160521	1	43	-1.0	-40.90	352.98	5.01	-35.89
CC(C)(C)OC(=O)NC1(CNC(=O)CCC2=N[N-]N=N2)CCCC1	REAL300020160522	0	49	-1.0	-43.16	380.88	2.28	-40.88
CC(C)(C)OC(=O)NC1(CNC(=O)CCC2=NN=N[N-]2)CCCC1	REAL300020160522	1	49	-1.0	-43.15	380.94	2.30	-40.85
CC(C)(C)OC(=O)CCC1CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300020160523	0	50	-1.0	-43.48	384.77	6.92	-36.56
CC(C)(C)OC(=O)CCC1CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020160523	1	50	-1.0	-43.49	384.82	6.93	-36.56
CC(C)(C)OC(=O)[C@@]12COC[C@@H]1CN(C(=O)CCC1=N[N-]N=N1)C2	REAL300020160524	0	46	-1.0	-43.02	362.41	3.74	-39.28
CC(C)(C)OC(=O)[C@@]12COC[C@@H]1CN(C(=O)CCC1=NN=N[N-]1)C2	REAL300020160524	1	46	-1.0	-42.99	362.47	3.76	-39.23
COC1=CC=C(C2=NOC(CNC(=O)CCC3=NN=N[N-]3)=C2)C=C1	REAL300020160525	0	39	-1.0	-42.55	342.05	3.17	-39.38
COC1=CC=C(C2=NOC(CNC(=O)CCC3=N[N-]N=N3)=C2)C=C1	REAL300020160525	1	39	-1.0	-42.53	341.99	3.15	-39.38
COC1(CNC(=O)CCC2=N[N-]N=N2)CCC(C(F)F)CC1	REAL300020160526	0	42	-1.0	-41.30	334.04	2.89	-38.41
COC1(CNC(=O)CCC2=NN=N[N-]2)CCC(C(F)F)CC1	REAL300020160526	1	42	-1.0	-41.35	334.09	2.90	-38.45
COC1=CC=C(N2CC(NC(=O)CCC3=N[N-]N=N3)CC2=O)C=C1	REAL300020160527	0	41	-1.0	-45.53	342.78	2.47	-43.06
COC1=CC=C(N2CC(NC(=O)CCC3=NN=N[N-]3)CC2=O)C=C1	REAL300020160527	1	41	-1.0	-45.53	342.84	2.49	-43.04
CCC1(CC2=CC=CC=C2)CCCN1C(=O)CCC1=N[N-]N=N1	REAL300020160528	0	45	-1.0	-42.83	341.83	7.77	-35.06
CCC1(CC2=CC=CC=C2)CCCN1C(=O)CCC1=NN=N[N-]1	REAL300020160528	1	45	-1.0	-42.84	341.89	7.78	-35.06
CSCC[C@H](NC(=O)C1=CC=C(OCC2=NC(C)=NO2)N=C1)C1=NN=N[N-]1	REAL300020167183	0	44	-1.0	-46.81	398.04	0.41	-46.40
CSCC[C@H](NC(=O)C1=CC=C(OCC2=NC(C)=NO2)N=C1)C1=N[N-]N=N1	REAL300020167183	1	44	-1.0	-46.82	397.98	0.39	-46.43
CSCC[C@H](NC(=O)CC1=CC=CC2=CN=CC=C21)C1=N[N-]N=N1	REAL300020167186	0	41	-1.0	-51.78	359.95	5.12	-46.66
CSCC[C@H](NC(=O)CC1=CC=CC2=CN=CC=C21)C1=NN=N[N-]1	REAL300020167186	1	41	-1.0	-51.81	360.01	5.13	-46.68
CSCC[C@H](NC(=O)C1=CN2CCOCC2=N1)C1=N[N-]N=N1	REAL300020167187	0	38	-1.0	-49.80	335.77	1.88	-47.92
CSCC[C@H](NC(=O)C1=CN2CCOCC2=N1)C1=NN=N[N-]1	REAL300020167187	1	38	-1.0	-49.81	335.83	1.89	-47.92
CSCC[C@H](NC(=O)C1=C(C)N(C2CCCOC2)C(C)=C1)C1=N[N-]N=N1	REAL300020167188	0	51	-1.0	-49.45	407.15	5.29	-44.16
CSCC[C@H](NC(=O)C1=C(C)N(C2CCCOC2)C(C)=C1)C1=NN=N[N-]1	REAL300020167188	1	51	-1.0	-49.42	407.21	5.30	-44.12
CSCC[C@H](NC(=O)C1=CC2=C(C)C=CC(F)=C2N1)C1=N[N-]N=N1	REAL300020167189	0	40	-1.0	-45.09	358.50	4.71	-40.38
CSCC[C@H](NC(=O)C1=CC2=C(C)C=CC(F)=C2N1)C1=NN=N[N-]1	REAL300020167189	1	40	-1.0	-45.11	358.55	4.73	-40.38
CSCC[C@H](NC(=O)C1=NC(C2CC2)=CS1)C1=N[N-]N=N1	REAL300020167190	0	36	-1.0	-49.22	335.58	3.20	-46.02
CSCC[C@H](NC(=O)C1=NC(C2CC2)=CS1)C1=NN=N[N-]1	REAL300020167190	1	36	-1.0	-49.21	335.63	3.22	-45.99
CSCC[C@H](NC(=O)C1=C(C)N(CC2CCCOC2)C(C)=C1)C1=N[N-]N=N1	REAL300020167191	0	54	-1.0	-51.03	429.19	6.09	-44.94
CSCC[C@H](NC(=O)C1=C(C)N(CC2CCCOC2)C(C)=C1)C1=NN=N[N-]1	REAL300020167191	1	54	-1.0	-51.06	429.25	6.10	-44.96
CCOC(C(=O)N[C@@H](CCSC)C1=N[N-]N=N1)C(C)C	REAL300020167192	0	42	-1.0	-46.56	352.08	4.11	-42.45
CCOC(C(=O)N[C@@H](CCSC)C1=NN=N[N-]1)C(C)C	REAL300020167192	1	42	-1.0	-46.54	352.13	4.13	-42.41
CSCC[C@H](NC(=O)C1(C2=CC(C)=NO2)CCOCC1)C1=N[N-]N=N1	REAL300020167193	0	46	-1.0	-47.09	379.69	3.48	-43.61
CSCC[C@H](NC(=O)C1(C2=CC(C)=NO2)CCOCC1)C1=NN=N[N-]1	REAL300020167193	1	46	-1.0	-47.09	379.75	3.50	-43.59
CSCC[C@H](NC(=O)C1=C(C)C=C(C)C(Br)=C1C)C1=N[N-]N=N1	REAL300020167194	0	42	-1.0	-47.28	376.48	6.09	-41.19
CSCC[C@H](NC(=O)C1=C(C)C=C(C)C(Br)=C1C)C1=NN=N[N-]1	REAL300020167194	1	42	-1.0	-47.25	376.54	6.10	-41.15
CSCC[C@H](NC(=O)C1=CC=CC=C1COCC1=CC=CC=C1)C1=N[N-]N=N1	REAL300020167195	0	50	-1.0	-47.70	427.17	8.02	-39.68
CSCC[C@H](NC(=O)C1=CC=CC=C1COCC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020167195	1	50	-1.0	-47.71	427.23	8.03	-39.68
CSCC[C@H](NC(=O)C1=CC=CC(F)=C1OC(F)(F)F)C1=N[N-]N=N1	REAL300020167196	0	37	-1.0	-51.11	348.12	5.18	-45.93
CSCC[C@H](NC(=O)C1=CC=CC(F)=C1OC(F)(F)F)C1=NN=N[N-]1	REAL300020167196	1	37	-1.0	-51.11	348.18	5.19	-45.92
CSCC[C@H](NC(=O)[C@H](NC(C)=O)C(C)C)C1=N[N-]N=N1	REAL300020167197	0	42	-1.0	-45.29	351.80	1.82	-43.47
CSCC[C@H](NC(=O)[C@H](NC(C)=O)C(C)C)C1=NN=N[N-]1	REAL300020167197	1	42	-1.0	-45.29	351.86	1.84	-43.45
CSCC[C@H](NC(=O)[C@@H](NC=O)C(C)C)C1=N[N-]N=N1	REAL300020167198	0	39	-1.0	-43.39	330.98	0.99	-42.40
CSCC[C@H](NC(=O)[C@@H](NC=O)C(C)C)C1=NN=N[N-]1	REAL300020167198	1	39	-1.0	-43.44	331.03	1.00	-42.44
CSCC[C@H](NC(=O)C1=C(C2CC2)NC(C2CC2)=C1)C1=N[N-]N=N1	REAL300020167199	0	45	-1.0	-48.96	385.31	6.20	-42.76
CSCC[C@H](NC(=O)C1=C(C2CC2)NC(C2CC2)=C1)C1=NN=N[N-]1	REAL300020167199	1	45	-1.0	-48.93	385.36	6.22	-42.71
CSCC[C@H](NC(=O)[C@H]1OCC[C@H]1NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300020167200	0	51	-1.0	-49.02	422.59	2.46	-46.56
CSCC[C@H](NC(=O)[C@H]1OCC[C@H]1NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300020167200	1	51	-1.0	-49.00	422.64	2.47	-46.53
CSCC[C@H](NC(=O)C1=CC=CC(OC(C)(C)C)=N1)C1=NN=N[N-]1	REAL300020167201	0	45	-1.0	-45.08	381.01	4.47	-40.61
CSCC[C@H](NC(=O)C1=CC=CC(OC(C)(C)C)=N1)C1=N[N-]N=N1	REAL300020167201	1	45	-1.0	-45.04	380.95	4.46	-40.58
CSCC[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)C1=N[N-]N=N1	REAL300020167202	0	40	-1.0	-52.48	344.49	2.57	-49.91
CSCC[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)C1=NN=N[N-]1	REAL300020167202	1	40	-1.0	-52.48	344.55	2.59	-49.89
CSCC[C@H](NC(=O)CCC(=O)N(C)C)C1=N[N-]N=N1	REAL300020167203	0	39	-1.0	-46.00	339.53	2.05	-43.95
CSCC[C@H](NC(=O)CCC(=O)N(C)C)C1=NN=N[N-]1	REAL300020167203	1	39	-1.0	-45.99	339.59	2.07	-43.92
CSCC[C@H](NC(=O)C1=C(C)C=CC=C1O)C1=N[N-]N=N1	REAL300020167204	0	37	-1.0	-50.25	331.50	1.67	-48.58
CSCC[C@H](NC(=O)C1=C(C)C=CC=C1O)C1=NN=N[N-]1	REAL300020167204	1	37	-1.0	-50.23	331.55	1.69	-48.54
CSCC[C@H](NC(=O)[C@@H]1C[C@H]1C1=CC=CO1)C1=N[N-]N=N1	REAL300020167205	0	37	-1.0	-45.03	334.53	4.37	-40.66
CSCC[C@H](NC(=O)[C@@H]1C[C@H]1C1=CC=CO1)C1=NN=N[N-]1	REAL300020167205	1	37	-1.0	-45.04	334.59	4.38	-40.66
CSCC[C@H](NC(=O)[C@H]1CC[C@@H](C(N)=O)O1)C1=N[N-]N=N1	REAL300020167206	0	38	-1.0	-62.73	336.21	-0.02	-62.75
CSCC[C@H](NC(=O)[C@H]1CC[C@@H](C(N)=O)O1)C1=NN=N[N-]1	REAL300020167206	1	38	-1.0	-62.71	336.27	-0.01	-62.72
COC1=CC=CC(C2=NOC(C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)=C2)=C1	REAL300020167207	0	43	-1.0	-44.91	385.79	4.38	-40.53
COC1=CC=CC(C2=NOC(C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)=C2)=C1	REAL300020167207	1	43	-1.0	-44.92	385.73	4.37	-40.55
CSCC[C@H](NC(=O)CC1=CC2=CC=NC=C2C=C1)C1=N[N-]N=N1	REAL300020167208	0	41	-1.0	-49.83	363.16	5.24	-44.59
CSCC[C@H](NC(=O)CC1=CC2=CC=NC=C2C=C1)C1=NN=N[N-]1	REAL300020167208	1	41	-1.0	-49.82	363.22	5.26	-44.56
CSCC[C@H](NC(=O)C1(C2=CC=C(C#N)C=C2)CCCC1)C1=N[N-]N=N1	REAL300020167209	0	47	-1.0	-47.56	396.30	7.67	-39.89
CSCC[C@H](NC(=O)C1(C2=CC=C(C#N)C=C2)CCCC1)C1=NN=N[N-]1	REAL300020167209	1	47	-1.0	-47.54	396.35	7.68	-39.86
CSCC[C@H](NC(=O)COCC1=CC=C(C#N)C=C1)C1=N[N-]N=N1	REAL300020167210	0	41	-1.0	-51.18	377.49	5.55	-45.63
CSCC[C@H](NC(=O)COCC1=CC=C(C#N)C=C1)C1=NN=N[N-]1	REAL300020167210	1	41	-1.0	-51.19	377.54	5.56	-45.63
COC1=CC(COCC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CC=N1	REAL300020167211	0	43	-1.0	-51.75	383.73	1.87	-49.88
COC1=CC(COCC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CC=N1	REAL300020167211	1	43	-1.0	-51.78	383.79	1.88	-49.90
COC1=CC=C(COCC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=N1	REAL300020167212	0	43	-1.0	-51.78	383.74	1.86	-49.92
COC1=CC=C(COCC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=N1	REAL300020167212	1	43	-1.0	-51.76	383.68	1.84	-49.92
CSCC[C@H](NC(=O)COCC1=CC(=O)NC=C1)C1=N[N-]N=N1	REAL300020167213	0	40	-1.0	-67.15	359.19	2.16	-64.99
CSCC[C@H](NC(=O)COCC1=CC(=O)NC=C1)C1=NN=N[N-]1	REAL300020167213	1	40	-1.0	-67.13	359.25	2.18	-64.95
CSCC[C@H](NC(=O)[C@@H]1CC=CC[C@H]1C(F)(F)F)C1=N[N-]N=N1	REAL300020167214	0	40	-1.0	-43.84	350.11	4.86	-38.98
CSCC[C@H](NC(=O)[C@@H]1CC=CC[C@H]1C(F)(F)F)C1=NN=N[N-]1	REAL300020167214	1	40	-1.0	-43.85	350.17	4.87	-38.98
CSCC[C@H](NC(=O)C1=CN(C2CC2)C=N1)C1=NN=N[N-]1	REAL300020167215	0	37	-1.0	-49.72	332.41	4.70	-45.02
CSCC[C@H](NC(=O)C1=CN(C2CC2)C=N1)C1=N[N-]N=N1	REAL300020167215	1	37	-1.0	-49.75	332.35	4.68	-45.07
CCC(NC(C)=O)C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020167216	0	39	-1.0	-42.51	334.05	0.93	-41.58
CCC(NC(C)=O)C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020167216	1	39	-1.0	-42.51	334.11	0.94	-41.57
CSCC[C@H](NC(=O)C1=CC=C(C)C(F)=C1F)C1=N[N-]N=N1	REAL300020167217	0	36	-1.0	-52.03	328.65	4.87	-47.16
CSCC[C@H](NC(=O)C1=CC=C(C)C(F)=C1F)C1=NN=N[N-]1	REAL300020167217	1	36	-1.0	-52.04	328.70	4.88	-47.16
CSCC[C@H](NC(=O)CC1=CC(Cl)=CC(Cl)=C1)C1=N[N-]N=N1	REAL300020167218	0	36	-1.0	-45.31	355.62	5.77	-39.54
CSCC[C@H](NC(=O)CC1=CC(Cl)=CC(Cl)=C1)C1=NN=N[N-]1	REAL300020167218	1	36	-1.0	-45.35	355.68	5.80	-39.55
CSCC[C@H](NC(=O)C=CC1=CC=C(SC)S1)C1=N[N-]N=N1	REAL300020167219	0	38	-1.0	-45.79	364.88	5.57	-40.22
CSCC[C@H](NC(=O)C=CC1=CC=C(SC)S1)C1=NN=N[N-]1	REAL300020167219	1	38	-1.0	-45.81	364.94	5.58	-40.23
CSCC[C@H](NC(=O)[C@@H](CC(C)C)NC(C)=O)C1=N[N-]N=N1	REAL300020167220	0	45	-1.0	-50.89	373.57	3.54	-47.35
CSCC[C@H](NC(=O)[C@@H](CC(C)C)NC(C)=O)C1=NN=N[N-]1	REAL300020167220	1	45	-1.0	-50.95	373.62	3.56	-47.39
CSCC[C@H](NC(=O)C1=CC=C2NC(=O)CC(C)NC2=C1)C1=N[N-]N=N1	REAL300020167221	0	46	-1.0	-47.87	390.79	2.15	-45.72
CSCC[C@H](NC(=O)C1=CC=C2NC(=O)CC(C)NC2=C1)C1=NN=N[N-]1	REAL300020167221	1	46	-1.0	-47.89	390.85	2.17	-45.72
CNC1=NC(C)=CC=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020167222	0	40	-1.0	-46.26	345.89	3.25	-43.01
CNC1=NC(C)=CC=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020167222	1	40	-1.0	-46.26	345.95	3.26	-43.00
CNC1=[NH+]C(C)=CC=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020167222	1	41	0.0	-52.22	347.09	3.60	-48.62
CSCC[C@H](NC(=O)C1CCCN1CC1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL300020167223	0	48	-1.0	-48.11	415.94	5.42	-42.69
CSCC[C@H](NC(=O)C1CCCN1CC1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL300020167223	1	48	-1.0	-48.14	415.99	5.43	-42.71
CSCC[C@H](NC(=O)C1=CC=C(NC(=O)OC(C)(C)C)N=C1)C1=N[N-]N=N1	REAL300020167224	0	49	-1.0	-49.79	415.66	4.02	-45.77
CSCC[C@H](NC(=O)C1=CC=C(NC(=O)OC(C)(C)C)N=C1)C1=NN=N[N-]1	REAL300020167224	1	49	-1.0	-49.79	415.72	4.03	-45.76
CSCC[C@H](NC(=O)C1(C#N)CC2(CC2)C1)C1=N[N-]N=N1	REAL300020167225	0	38	-1.0	-39.63	340.23	4.57	-35.06
CSCC[C@H](NC(=O)C1(C#N)CC2(CC2)C1)C1=NN=N[N-]1	REAL300020167225	1	38	-1.0	-39.60	340.29	4.59	-35.01
CSCC[C@H](NC(=O)C1=CN2C=C(C)C=CC2=N1)C1=NN=N[N-]1	REAL300020167226	0	39	-1.0	-50.62	349.43	5.22	-45.40
CSCC[C@H](NC(=O)C1=CN2C=C(C)C=CC2=N1)C1=N[N-]N=N1	REAL300020167226	1	39	-1.0	-50.64	349.37	5.20	-45.44
CSCC[C@H](NC(=O)C1=C(Br)C2=CC=CC=C2O1)C1=N[N-]N=N1	REAL300020167227	0	36	-1.0	-45.65	347.26	5.11	-40.54
CSCC[C@H](NC(=O)C1=C(Br)C2=CC=CC=C2O1)C1=NN=N[N-]1	REAL300020167227	1	36	-1.0	-45.67	347.32	5.12	-40.55
CSCC[C@H](NC(=O)C1=CN=CC(N2CCCC2)=N1)C1=NN=N[N-]1	REAL300020167228	0	43	-1.0	-44.62	369.19	2.07	-42.55
CSCC[C@H](NC(=O)C1=CN=CC(N2CCCC2)=N1)C1=N[N-]N=N1	REAL300020167228	1	43	-1.0	-44.65	369.13	2.05	-42.60
CSCC[C@H](NC(=O)COC1=CC=C(Br)C=N1)C1=NN=N[N-]1	REAL300020167229	0	36	-1.0	-46.27	349.95	2.69	-43.58
CSCC[C@H](NC(=O)COC1=CC=C(Br)C=N1)C1=N[N-]N=N1	REAL300020167229	1	36	-1.0	-46.32	349.90	2.67	-43.65
CSCC[C@H](NC(=O)C1=CC2=NC=CC=C2S1)C1=NN=N[N-]1	REAL300020167230	0	35	-1.0	-49.08	331.59	3.62	-45.46
CSCC[C@H](NC(=O)C1=CC2=NC=CC=C2S1)C1=N[N-]N=N1	REAL300020167230	1	35	-1.0	-49.05	331.53	3.60	-45.45
CSCC[C@H](NC(=O)C1CCCN2C=C(C(F)(F)F)N=C12)C1=N[N-]N=N1	REAL300020167231	0	43	-1.0	-48.14	380.83	5.44	-42.70
CSCC[C@H](NC(=O)C1CCCN2C=C(C(F)(F)F)N=C12)C1=NN=N[N-]1	REAL300020167231	1	43	-1.0	-48.17	380.89	5.45	-42.72
CSCC[C@H](NC(=O)CC1=CC(Cl)=CC2=CC=CC=C21)C1=N[N-]N=N1	REAL300020167232	0	42	-1.0	-47.17	381.52	7.38	-39.79
CSCC[C@H](NC(=O)CC1=CC(Cl)=CC2=CC=CC=C21)C1=NN=N[N-]1	REAL300020167232	1	42	-1.0	-47.18	381.57	7.40	-39.78
CSCC[C@H](NC(=O)C1=CC=C(C)C(N2CCOCC2)=C1)C1=N[N-]N=N1	REAL300020167233	0	49	-1.0	-49.62	405.23	4.31	-45.31
CSCC[C@H](NC(=O)C1=CC=C(C)C(N2CCOCC2)=C1)C1=NN=N[N-]1	REAL300020167233	1	49	-1.0	-49.61	405.29	4.32	-45.29
CSCC[C@H](NC(=O)C1COC(=O)N1C)C1=N[N-]N=N1	REAL300020167234	0	35	-1.0	-49.61	312.93	1.01	-48.60
CSCC[C@H](NC(=O)C1COC(=O)N1C)C1=NN=N[N-]1	REAL300020167234	1	35	-1.0	-49.60	312.99	1.02	-48.58
CSCC[C@H](NC(=O)C1=NC=C2C=CC=CN21)C1=NN=N[N-]1	REAL300020167235	0	36	-1.0	-51.38	324.92	4.63	-46.75
CSCC[C@H](NC(=O)C1=NC=C2C=CC=CN21)C1=N[N-]N=N1	REAL300020167235	1	36	-1.0	-51.37	324.86	4.62	-46.75
CSCC[C@H](NC(=O)C1=CC(Cl)=CC(Cl)=C1F)C1=N[N-]N=N1	REAL300020167236	0	33	-1.0	-45.39	334.98	5.15	-40.24
CSCC[C@H](NC(=O)C1=CC(Cl)=CC(Cl)=C1F)C1=NN=N[N-]1	REAL300020167236	1	33	-1.0	-45.41	335.04	5.17	-40.24
CSCC[C@H](NC(=O)C1=CC=NN1CC1CCC1)C1=NN=N[N-]1	REAL300020167237	0	43	-1.0	-44.63	367.92	4.76	-39.87
CSCC[C@H](NC(=O)C1=CC=NN1CC1CCC1)C1=N[N-]N=N1	REAL300020167237	1	43	-1.0	-44.62	367.87	4.75	-39.87
COC1=CC=C2C=C(C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)SC2=C1	REAL300020167238	0	40	-1.0	-46.76	366.08	4.80	-41.96
COC1=CC=C2C=C(C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)SC2=C1	REAL300020167238	1	40	-1.0	-46.75	366.13	4.82	-41.93
COC1=CC=C2C(CC(=O)N[C@@H](CCSC)C3=N[N-]N=N3)=COC2=C1C	REAL300020167239	0	46	-1.0	-51.38	399.46	5.16	-46.22
COC1=CC=C2C(CC(=O)N[C@@H](CCSC)C3=NN=N[N-]3)=COC2=C1C	REAL300020167239	1	46	-1.0	-51.36	399.52	5.18	-46.18
CSCC[C@H](NC(=O)C1=CC=C(OC2=CC=CC=C2)C=C1C)C1=N[N-]N=N1	REAL300020167240	0	47	-1.0	-44.77	403.86	7.68	-37.09
CSCC[C@H](NC(=O)C1=CC=C(OC2=CC=CC=C2)C=C1C)C1=NN=N[N-]1	REAL300020167240	1	47	-1.0	-44.79	403.92	7.70	-37.09
CSCC[C@H](NC(=O)C1(C)OC2=CC=CC=C2NC1=O)C1=N[N-]N=N1	REAL300020167241	0	42	-1.0	-45.87	369.22	1.95	-43.92
CSCC[C@H](NC(=O)C1(C)OC2=CC=CC=C2NC1=O)C1=NN=N[N-]1	REAL300020167241	1	42	-1.0	-45.78	369.28	1.96	-43.82
CSCC[C@H](NC(=O)C1=C(C)C2=CC=CC(Cl)=C2N=C1)C1=N[N-]N=N1	REAL300020167242	0	41	-1.0	-46.40	367.37	5.64	-40.76
CSCC[C@H](NC(=O)C1=C(C)C2=CC=CC(Cl)=C2N=C1)C1=NN=N[N-]1	REAL300020167242	1	41	-1.0	-46.39	367.43	5.65	-40.74
CSCC[C@H](NC(=O)C1=CC=C(C)C(C2=CN(C)N=C2)=C1)C1=NN=N[N-]1	REAL300020167243	0	46	-1.0	-50.25	396.51	5.90	-44.35
CSCC[C@H](NC(=O)C1=CC=C(C)C(C2=CN(C)N=C2)=C1)C1=N[N-]N=N1	REAL300020167243	1	46	-1.0	-50.26	396.45	5.89	-44.37
CSCC[C@H](NC(=O)C1=CC(Cl)=NC(C(C)(C)C)=C1)C1=NN=N[N-]1	REAL300020167244	0	44	-1.0	-42.23	388.91	5.34	-36.89
CSCC[C@H](NC(=O)C1=CC(Cl)=NC(C(C)(C)C)=C1)C1=N[N-]N=N1	REAL300020167244	1	44	-1.0	-42.19	388.85	5.33	-36.86
CSCC[C@H](NC(=O)C=CC1=CC=C(F)C2=CC=CC=C12)C1=N[N-]N=N1	REAL300020167245	0	43	-1.0	-47.03	380.87	7.46	-39.57
CSCC[C@H](NC(=O)C=CC1=CC=C(F)C2=CC=CC=C12)C1=NN=N[N-]1	REAL300020167245	1	43	-1.0	-47.06	380.93	7.48	-39.58
CSCC[C@H](NC(=O)C1=CC(Br)=CN=C1F)C1=NN=N[N-]1	REAL300020167246	0	32	-1.0	-46.09	318.47	2.89	-43.20
CSCC[C@H](NC(=O)C1=CC(Br)=CN=C1F)C1=N[N-]N=N1	REAL300020167246	1	32	-1.0	-46.05	318.42	2.88	-43.17
CCC1=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C(Cl)=NN1	REAL300020167247	0	36	-1.0	-50.08	341.63	2.18	-47.90
CCC1=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C(Cl)=NN1	REAL300020167247	1	36	-1.0	-50.02	341.69	2.20	-47.82
CSCC[C@H](NC(=O)C1=CON=C1C(C)C)C1=N[N-]N=N1	REAL300020167248	0	38	-1.0	-46.03	336.32	3.44	-42.59
CSCC[C@H](NC(=O)C1=CON=C1C(C)C)C1=NN=N[N-]1	REAL300020167248	1	38	-1.0	-46.03	336.38	3.46	-42.57
CSCC[C@H](NC(=O)C1=C(C)C=C(C)S1)C1=N[N-]N=N1	REAL300020167249	0	36	-1.0	-45.75	328.41	4.55	-41.20
CSCC[C@H](NC(=O)C1=C(C)C=C(C)S1)C1=NN=N[N-]1	REAL300020167249	1	36	-1.0	-45.71	328.47	4.57	-41.14
CSCC[C@H](NC(=O)C1=CC=C(N2CC(C)OC(C)C2)C=C1)C1=N[N-]N=N1	REAL300020167250	0	52	-1.0	-46.94	423.70	4.40	-42.54
CSCC[C@H](NC(=O)C1=CC=C(N2CC(C)OC(C)C2)C=C1)C1=NN=N[N-]1	REAL300020167250	1	52	-1.0	-46.89	423.76	4.42	-42.47
CSCC[C@H](NC(=O)C(=O)C1=CC(Cl)=CC(Cl)=C1)C1=N[N-]N=N1	REAL300020167251	0	35	-1.0	-38.99	351.53	4.95	-34.04
CSCC[C@H](NC(=O)C(=O)C1=CC(Cl)=CC(Cl)=C1)C1=NN=N[N-]1	REAL300020167251	1	35	-1.0	-39.06	351.58	4.96	-34.10
CSCC[C@H](NC(=O)C1=CC=CC2=C1C(=O)CC2)C1=N[N-]N=N1	REAL300020167252	0	39	-1.0	-59.99	339.46	6.56	-53.43
CSCC[C@H](NC(=O)C1=CC=CC2=C1C(=O)CC2)C1=NN=N[N-]1	REAL300020167252	1	39	-1.0	-59.97	339.52	6.58	-53.39
CCOC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020167253	0	50	-1.0	-43.69	425.36	4.11	-39.58
CCOC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020167253	1	50	-1.0	-43.65	425.42	4.12	-39.53
CSCC[C@H](NC(=O)C1CCC(C)(C)CC1C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020167254	0	55	-1.0	-46.75	420.51	8.27	-38.48
CSCC[C@H](NC(=O)C1CCC(C)(C)CC1C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020167254	1	55	-1.0	-46.80	420.56	8.29	-38.51
CSCC[C@H](NC(=O)C1=CC(C2=CNC3=NC=CC3=C2)=CC=N1)C1=N[N-]N=N1	REAL300020167255	0	45	-1.0	-53.99	402.58	5.40	-48.59
CSCC[C@H](NC(=O)C1=CC(C2=CNC3=NC=CC3=C2)=CC=N1)C1=NN=N[N-]1	REAL300020167255	1	45	-1.0	-53.98	402.64	5.42	-48.56
CSCC[C@H](NC(=O)C1=CC(C2=CN=C3NC=CC3=C2)=CC=N1)C1=N[N-]N=N1	REAL300020167255	1	45	-1.0	-54.13	395.76	5.09	-49.04
CSCC[C@H](NC(=O)C1=CC(C2=CN=C3NC=CC3=C2)=CC=N1)C1=NN=N[N-]1	REAL300020167255	1	45	-1.0	-54.11	395.82	5.10	-49.01
CSCC[C@H](NC(=O)C1=CC2=CC=CC(Cl)=C2N=C1C)C1=N[N-]N=N1	REAL300020167256	0	41	-1.0	-47.46	371.13	5.73	-41.73
CSCC[C@H](NC(=O)C1=CC2=CC=CC(Cl)=C2N=C1C)C1=NN=N[N-]1	REAL300020167256	1	41	-1.0	-47.37	371.19	5.74	-41.63
CSCC[C@H](NC(=O)C1=CNN=C1C1=CC=CO1)C1=N[N-]N=N1	REAL300020167257	0	37	-1.0	-53.85	338.33	3.27	-50.58
CSCC[C@H](NC(=O)C1=CNN=C1C1=CC=CO1)C1=NN=N[N-]1	REAL300020167257	1	37	-1.0	-53.86	338.38	3.29	-50.57
CSCC[C@H](NC(=O)C1=CC=C2OCC(=O)N(C)C2=C1)C1=N[N-]N=N1	REAL300020167258	0	42	-1.0	-48.55	365.56	3.09	-45.46
CSCC[C@H](NC(=O)C1=CC=C2OCC(=O)N(C)C2=C1)C1=NN=N[N-]1	REAL300020167258	1	42	-1.0	-48.57	365.62	3.11	-45.46
CSCC[C@H](NC(=O)C1=CC=CC(C(F)F)=C1F)C1=N[N-]N=N1	REAL300020167260	0	36	-1.0	-58.24	335.07	5.05	-53.19
CSCC[C@H](NC(=O)C1=CC=CC(C(F)F)=C1F)C1=NN=N[N-]1	REAL300020167260	1	36	-1.0	-58.27	335.13	5.06	-53.21
CSCC[C@H](NC(=O)C1CC1(C)Br)C1=N[N-]N=N1	REAL300020167261	0	33	-1.0	-46.90	310.40	3.83	-43.07
CSCC[C@H](NC(=O)C1CC1(C)Br)C1=NN=N[N-]1	REAL300020167261	1	33	-1.0	-46.87	310.45	3.84	-43.03
CSCC[C@H](NC(=O)C1=CN(CC2CCOC2)N=N1)C1=NN=N[N-]1	REAL300020167262	0	43	-1.0	-49.68	376.53	1.38	-48.30
CSCC[C@H](NC(=O)C1=CN(CC2CCOC2)N=N1)C1=N[N-]N=N1	REAL300020167262	1	43	-1.0	-49.67	376.47	1.36	-48.31
CSCC[C@H](NC(=O)C1CC(C2=CC=CC(Cl)=C2F)=NO1)C1=N[N-]N=N1	REAL300020167263	0	41	-1.0	-56.40	386.33	6.03	-50.37
CSCC[C@H](NC(=O)C1CC(C2=CC=CC(Cl)=C2F)=NO1)C1=NN=N[N-]1	REAL300020167263	1	41	-1.0	-56.44	386.39	6.05	-50.39
CSCC[C@H](NC(=O)C1=CC(F)=C(Br)C=C1F)C1=N[N-]N=N1	REAL300020167264	0	33	-1.0	-43.85	329.05	4.83	-39.02
CSCC[C@H](NC(=O)C1=CC(F)=C(Br)C=C1F)C1=NN=N[N-]1	REAL300020167264	1	33	-1.0	-43.86	329.11	4.85	-39.01
CSCC[C@H](NC(=O)CCC1=NN=C(C(F)F)O1)C1=N[N-]N=N1	REAL300020167265	0	37	-1.0	-46.89	348.73	-1.24	-48.13
CSCC[C@H](NC(=O)CCC1=NN=C(C(F)F)O1)C1=NN=N[N-]1	REAL300020167265	1	37	-1.0	-46.90	348.79	-1.22	-48.12
CSCC[C@H](NC(=O)C1(C2=CC=CC=C2)CC2(CCC2)C1)C1=N[N-]N=N1	REAL300020167266	0	50	-1.0	-46.85	411.84	8.15	-38.70
CSCC[C@H](NC(=O)C1(C2=CC=CC=C2)CC2(CCC2)C1)C1=NN=N[N-]1	REAL300020167266	1	50	-1.0	-46.83	411.90	8.16	-38.67
CSCC[C@H](NC(=O)C1(C(F)F)CCC1)C1=N[N-]N=N1	REAL300020167267	0	36	-1.0	-43.41	315.57	3.75	-39.66
CSCC[C@H](NC(=O)C1(C(F)F)CCC1)C1=NN=N[N-]1	REAL300020167267	1	36	-1.0	-43.42	315.62	3.77	-39.65
CSCC[C@H](NC(=O)C(C)(C)N1C=C(C)C(C(F)(F)F)=N1)C1=NN=N[N-]1	REAL300020167268	0	45	-1.0	-55.32	395.27	4.94	-50.38
CSCC[C@H](NC(=O)C(C)(C)N1C=C(C)C(C(F)(F)F)=N1)C1=N[N-]N=N1	REAL300020167268	1	45	-1.0	-55.31	395.22	4.93	-50.38
CSCC[C@H](NC(=O)C(C)(C)C1CCCCO1)C1=N[N-]N=N1	REAL300020167269	0	46	-1.0	-50.75	366.13	4.87	-45.88
CSCC[C@H](NC(=O)C(C)(C)C1CCCCO1)C1=NN=N[N-]1	REAL300020167269	1	46	-1.0	-50.73	366.19	4.88	-45.85
CSCC[C@H](NC(=O)[C@]12CCC[C@H]1OCC2)C1=N[N-]N=N1	REAL300020167270	0	41	-1.0	-46.85	338.15	2.93	-43.92
CSCC[C@H](NC(=O)[C@]12CCC[C@H]1OCC2)C1=NN=N[N-]1	REAL300020167270	1	41	-1.0	-46.84	338.21	2.95	-43.89
CSCC[C@H](NC(=O)C1=NN(C)C2=CC=CC=C21)C1=NN=N[N-]1	REAL300020167271	0	39	-1.0	-52.00	349.10	4.07	-47.93
CSCC[C@H](NC(=O)C1=NN(C)C2=CC=CC=C21)C1=N[N-]N=N1	REAL300020167271	1	39	-1.0	-52.03	349.04	4.06	-47.97
CSCC[C@H](NC(=O)C1C(C)OC(C)C1C)C1=N[N-]N=N1	REAL300020167272	0	43	-1.0	-46.82	346.04	3.22	-43.60
CSCC[C@H](NC(=O)C1C(C)OC(C)C1C)C1=NN=N[N-]1	REAL300020167272	1	43	-1.0	-46.87	346.10	3.23	-43.64
CSCC[C@H](NC(=O)C1CCC1C1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL300020167273	0	43	-1.0	-48.20	372.20	6.59	-41.61
CSCC[C@H](NC(=O)C1CCC1C1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL300020167273	1	43	-1.0	-48.24	372.26	6.60	-41.64
CSCC[C@H](NC(=O)CN1CC(=O)N(C)C1=O)C1=N[N-]N=N1	REAL300020167274	0	38	-1.0	-49.58	344.83	1.72	-47.86
CSCC[C@H](NC(=O)CN1CC(=O)N(C)C1=O)C1=NN=N[N-]1	REAL300020167274	1	38	-1.0	-49.61	344.89	1.73	-47.88
CSCC[C@H](NC(=O)[C@@H]1CCO[C@H]1C1=CC=C(Cl)C(F)=C1)C1=N[N-]N=N1	REAL300020167275	0	44	-1.0	-43.71	398.02	5.57	-38.14
CSCC[C@H](NC(=O)[C@@H]1CCO[C@H]1C1=CC=C(Cl)C(F)=C1)C1=NN=N[N-]1	REAL300020167275	1	44	-1.0	-43.73	398.07	5.58	-38.15
CSCC[C@H](NC(=O)C(C)(CC1=CC=CC=C1)C(C)C)C1=N[N-]N=N1	REAL300020167276	0	51	-1.0	-47.98	399.24	7.30	-40.68
CSCC[C@H](NC(=O)C(C)(CC1=CC=CC=C1)C(C)C)C1=NN=N[N-]1	REAL300020167276	1	51	-1.0	-47.99	399.29	7.32	-40.67
CSCC[C@H](NC(=O)[C@]1(C(=O)OC(C)(C)C)C[C@H]1C)C1=N[N-]N=N1	REAL300020167277	0	48	-1.0	-42.77	393.35	6.04	-36.73
CSCC[C@H](NC(=O)[C@]1(C(=O)OC(C)(C)C)C[C@H]1C)C1=NN=N[N-]1	REAL300020167277	1	48	-1.0	-42.74	393.41	6.06	-36.68
CSCC[C@H](NC(=O)C1=COC(C(F)F)=C1)C1=N[N-]N=N1	REAL300020167278	0	33	-1.0	-47.82	315.51	3.14	-44.68
CSCC[C@H](NC(=O)C1=COC(C(F)F)=C1)C1=NN=N[N-]1	REAL300020167278	1	33	-1.0	-47.81	315.57	3.15	-44.66
CSCCCCCCC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020167279	0	45	-1.0	-46.05	392.87	6.13	-39.92
CSCCCCCCC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020167279	1	45	-1.0	-46.06	392.93	6.14	-39.92
CSCC[C@H](NC(=O)[C@@H]1C[C@H]1C1=CSC=C1)C1=N[N-]N=N1	REAL300020167280	0	37	-1.0	-45.06	340.81	5.06	-40.00
CSCC[C@H](NC(=O)[C@@H]1C[C@H]1C1=CSC=C1)C1=NN=N[N-]1	REAL300020167280	1	37	-1.0	-45.02	340.87	5.08	-39.94
CSCC[C@H](NC(=O)C1=C2CCCCN2C(C(F)(F)F)=N1)C1=NN=N[N-]1	REAL300020167281	0	43	-1.0	-46.99	380.23	5.01	-41.98
CSCC[C@H](NC(=O)C1=C2CCCCN2C(C(F)(F)F)=N1)C1=N[N-]N=N1	REAL300020167281	1	43	-1.0	-46.96	380.17	5.00	-41.96
CCC1=C(CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C2=CC=CC=C2O1	REAL300020167282	0	45	-1.0	-49.68	391.92	6.67	-43.01
CCC1=C(CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C2=CC=CC=C2O1	REAL300020167282	1	45	-1.0	-49.67	391.98	6.69	-42.98
CSCC[C@H](NC(=O)C=CSC1=CC=CC=C1)C1=N[N-]N=N1	REAL300020167283	0	38	-1.0	-46.62	357.59	5.85	-40.77
CSCC[C@H](NC(=O)C=CSC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020167283	1	38	-1.0	-46.64	357.64	5.87	-40.77
CSCC[C@H](NC(=O)C1=C(C)N(C2=CN=CC=N2)C(C)=C1)C1=NN=N[N-]1	REAL300020167284	0	45	-1.0	-52.34	390.03	5.06	-47.28
CSCC[C@H](NC(=O)C1=C(C)N(C2=CN=CC=N2)C(C)=C1)C1=N[N-]N=N1	REAL300020167284	1	45	-1.0	-52.32	389.98	5.04	-47.28
CSCC[C@H](NC(=O)C1=CC=C(C[N-]C(=O)C(F)(F)F)O1)C1=N[N-]N=N1	REAL300020167285	0	39	-2.0	-84.56	380.65	0.08	-84.48
CSCC[C@H](NC(=O)C1=CC=C(C[N-]C(=O)C(F)(F)F)O1)C1=NN=N[N-]1	REAL300020167285	1	39	-2.0	-84.52	380.71	0.09	-84.43
CSCC[C@H](NC(=O)C1=NN(C2CCOCC2)C=C1C)C1=NN=N[N-]1	REAL300020167286	0	47	-1.0	-48.64	394.10	3.41	-45.23
CSCC[C@H](NC(=O)C1=NN(C2CCOCC2)C=C1C)C1=N[N-]N=N1	REAL300020167286	1	47	-1.0	-48.66	394.04	3.40	-45.26
CSCC[C@H](NC(=O)C1=CC=NC(Cl)=C1Cl)C1=NN=N[N-]1	REAL300020167287	0	32	-1.0	-45.78	320.81	3.23	-42.55
CSCC[C@H](NC(=O)C1=CC=NC(Cl)=C1Cl)C1=N[N-]N=N1	REAL300020167287	1	32	-1.0	-45.79	320.75	3.21	-42.58
CSCC[C@H](NC(=O)CC(O)C(Cl)(Cl)Cl)C1=N[N-]N=N1	REAL300020167288	0	33	-1.0	-44.00	336.92	1.89	-42.11
CSCC[C@H](NC(=O)CC(O)C(Cl)(Cl)Cl)C1=NN=N[N-]1	REAL300020167288	1	33	-1.0	-44.03	336.97	1.90	-42.13
CSCC[C@H](NC(=O)C1=CN=C(C2CC2)NC1=O)C1=N[N-]N=N1	REAL300020167289	0	39	-1.0	-52.84	347.25	2.74	-50.10
CSCC[C@H](NC(=O)C1=CN=C(C2CC2)NC1=O)C1=NN=N[N-]1	REAL300020167289	1	39	-1.0	-52.89	347.31	2.76	-50.13
CSCC[C@H](NC(=O)CC1C(=O)N=CNC1=O)C1=N[N-]N=N1	REAL300020167290	0	36	-1.0	-57.42	325.66	0.73	-56.69
CSCC[C@H](NC(=O)CC1C(=O)N=CNC1=O)C1=NN=N[N-]1	REAL300020167290	1	36	-1.0	-57.44	325.72	0.75	-56.69
CSCC[C@H](NC(=O)C1=CC(Cl)=C(F)C([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL300020167291	0	35	-1.0	-42.57	346.38	5.27	-37.30
CSCC[C@H](NC(=O)C1=CC(Cl)=C(F)C([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL300020167291	1	35	-1.0	-42.59	346.44	5.29	-37.30
CSCC[C@H](NC(=O)C1=CC([N+](=O)[O-])=CC=C1N1C=NN=N1)C1=NN=N[N-]1	REAL300020167292	0	40	-1.0	-61.36	371.74	4.99	-56.37
CSCC[C@H](NC(=O)C1=CC([N+](=O)[O-])=CC=C1N1C=NN=N1)C1=N[N-]N=N1	REAL300020167292	1	40	-1.0	-61.35	371.68	4.97	-56.38
CSCC[C@H](NC(=O)C1(C2=NC=CC3=CC=CC=C32)CC1)C1=NN=N[N-]1	REAL300020167293	0	45	-1.0	-46.84	390.54	6.27	-40.57
CSCC[C@H](NC(=O)C1(C2=NC=CC3=CC=CC=C32)CC1)C1=N[N-]N=N1	REAL300020167293	1	45	-1.0	-46.85	390.49	6.25	-40.60
CSCC[C@H](NC(=O)C1=CC=C(C)C(C(F)(F)F)=C1)C1=N[N-]N=N1	REAL300020167294	0	39	-1.0	-47.06	351.88	5.60	-41.46
CSCC[C@H](NC(=O)C1=CC=C(C)C(C(F)(F)F)=C1)C1=NN=N[N-]1	REAL300020167294	1	39	-1.0	-47.08	351.94	5.62	-41.46
CSCC[C@H](NC(=O)C1=CC(OCC2=CC=CC=C2)=CS1)C1=N[N-]N=N1	REAL300020167295	0	44	-1.0	-47.46	401.93	6.40	-41.06
CSCC[C@H](NC(=O)C1=CC(OCC2=CC=CC=C2)=CS1)C1=NN=N[N-]1	REAL300020167295	1	44	-1.0	-47.43	401.99	6.41	-41.02
CCOC1=CC=CC(CCC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020167296	0	46	-1.0	-45.98	394.91	5.79	-40.19
CCOC1=CC=CC(CCC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020167296	1	46	-1.0	-45.98	394.97	5.81	-40.17
CCN(C(=O)OC(C)(C)C)C(C)C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020167297	0	52	-1.0	-44.35	418.37	4.98	-39.37
CCN(C(=O)OC(C)(C)C)C(C)C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020167297	1	52	-1.0	-44.41	418.43	4.99	-39.42
CSCC[C@H](NC(=O)C1CCN2C=C(C)N=C2C1)C1=N[N-]N=N1	REAL300020167298	0	43	-1.0	-50.23	364.30	4.82	-45.41
CSCC[C@H](NC(=O)C1CCN2C=C(C)N=C2C1)C1=NN=N[N-]1	REAL300020167298	1	43	-1.0	-50.22	364.36	4.83	-45.39
CSCC[C@H](NC(=O)C1=CC(S(N)(=O)=O)=CC(F)=C1C)C1=N[N-]N=N1	REAL300020167299	0	41	-1.0	-46.34	372.95	-0.26	-46.60
CSCC[C@H](NC(=O)C1=CC(S(N)(=O)=O)=CC(F)=C1C)C1=NN=N[N-]1	REAL300020167299	1	41	-1.0	-46.35	373.01	-0.25	-46.60
CSCC[C@H](NC(=O)CC1=C2CCCCN2N=C1)C1=N[N-]N=N1	REAL300020167300	0	43	-1.0	-49.63	365.90	4.15	-45.48
CSCC[C@H](NC(=O)CC1=C2CCCCN2N=C1)C1=NN=N[N-]1	REAL300020167300	1	43	-1.0	-49.66	365.95	4.16	-45.50
CSCC[C@H](NC(=O)CC1=CN2C=C(C)SC2=N1)C1=N[N-]N=N1	REAL300020167301	0	39	-1.0	-55.52	360.64	5.39	-50.13
CSCC[C@H](NC(=O)CC1(O)CCC[N@H+](C)C1)C1=N[N-]N=N1	REAL300020167302	0	46	0.0	-51.55	368.05	2.85	-48.70
CSCC[C@H](NC(=O)CC1(O)CCC[N@@H+](C)C1)C1=N[N-]N=N1	REAL300020167302	1	46	0.0	-60.79	365.18	2.93	-57.86
CSCC[C@H](NC(=O)CC1(O)CCC[N@H+](C)C1)C1=NN=N[N-]1	REAL300020167302	1	46	0.0	-51.54	368.11	2.87	-48.67
CSCC[C@H](NC(=O)CC1(O)CCC[N@@H+](C)C1)C1=NN=N[N-]1	REAL300020167302	1	46	0.0	-60.81	365.23	2.95	-57.86
COC1=CC(F)=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C(Cl)=C1	REAL300020167303	0	37	-1.0	-47.32	352.72	3.71	-43.61
COC1=CC(F)=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C(Cl)=C1	REAL300020167303	1	37	-1.0	-47.37	352.77	3.73	-43.64
CSCC[C@H](NC(=O)C1(F)CCOCC1)C1=N[N-]N=N1	REAL300020167304	0	37	-1.0	-44.78	320.31	1.88	-42.90
CSCC[C@H](NC(=O)C1(F)CCOCC1)C1=NN=N[N-]1	REAL300020167304	1	37	-1.0	-44.74	320.36	1.90	-42.84
CSCC[C@H](NC(=O)C1C2=CC=CC=C2C(=O)OC1(C)C)C1=N[N-]N=N1	REAL300020167305	0	46	-1.0	-57.57	391.04	6.02	-51.55
CSCC[C@H](NC(=O)C1C2=CC=CC=C2C(=O)OC1(C)C)C1=NN=N[N-]1	REAL300020167305	1	46	-1.0	-57.55	391.07	6.04	-51.51
CSCC[C@H](NC(=O)C1=C(C(F)F)N=C2C=CC=CN21)C1=N[N-]N=N1	REAL300020167306	0	39	-1.0	-56.54	362.75	5.18	-51.36
CSCC[C@H](NC(=O)C1=C(C(F)F)N=C2C=CC=CN21)C1=NN=N[N-]1	REAL300020167306	1	39	-1.0	-56.56	362.80	5.20	-51.36
CSCC[C@H](NC(=O)C1=CC(C2=CC=CC(Cl)=C2F)=NO1)C1=NN=N[N-]1	REAL300020167307	0	39	-1.0	-44.58	375.69	5.55	-39.03
CSCC[C@H](NC(=O)C1=CC(C2=CC=CC(Cl)=C2F)=NO1)C1=N[N-]N=N1	REAL300020167307	1	39	-1.0	-44.61	375.63	5.54	-39.07
CSCC[C@H](NC(=O)C1(C)COC2=CC=CC=C2O1)C1=N[N-]N=N1	REAL300020167308	0	42	-1.0	-45.86	363.14	3.98	-41.88
CSCC[C@H](NC(=O)C1(C)COC2=CC=CC=C2O1)C1=NN=N[N-]1	REAL300020167308	1	42	-1.0	-45.87	363.19	4.00	-41.87
CSCC[C@H](NC(=O)C1(C)CC2CCC1C2)C1=N[N-]N=N1	REAL300020167309	0	43	-1.0	-46.65	341.66	5.04	-41.61
CSCC[C@H](NC(=O)C1(C)CC2CCC1C2)C1=NN=N[N-]1	REAL300020167309	1	43	-1.0	-46.62	341.71	5.05	-41.57
COC(=O)C=CC1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020167310	0	43	-1.0	-48.51	384.45	6.00	-42.51
COC(=O)C=CC1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020167310	1	43	-1.0	-48.53	384.51	6.02	-42.51
COC1=CN=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1C	REAL300020167311	0	39	-1.0	-45.19	337.04	2.32	-42.87
COC1=CN=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1C	REAL300020167311	1	39	-1.0	-45.13	337.09	2.34	-42.79
CSCC[C@H](NC(=O)CC1CC2=CC=CC=C2O1)C1=N[N-]N=N1	REAL300020167312	0	41	-1.0	-50.25	357.09	4.91	-45.34
CSCC[C@H](NC(=O)CC1CC2=CC=CC=C2O1)C1=NN=N[N-]1	REAL300020167312	1	41	-1.0	-50.24	357.14	4.92	-45.32
CSCC[C@H](NC(=O)C1(CC(C)C)CCNC1=O)C1=N[N-]N=N1	REAL300020167313	0	46	-1.0	-58.93	373.38	1.76	-57.17
CSCC[C@H](NC(=O)C1(CC(C)C)CCNC1=O)C1=NN=N[N-]1	REAL300020167313	1	46	-1.0	-58.95	373.44	1.78	-57.17
CSCC[C@H](NC(=O)C1=CN(CC(=O)OC(C)(C)C)N=N1)C1=NN=N[N-]1	REAL300020167314	0	47	-1.0	-53.27	408.44	3.45	-49.82
CSCC[C@H](NC(=O)C1=CN(CC(=O)OC(C)(C)C)N=N1)C1=N[N-]N=N1	REAL300020167314	1	47	-1.0	-53.25	408.38	3.44	-49.81
CSCC[C@H](NC(=O)CC1=CC=CC=C1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300020167315	0	51	-1.0	-54.53	424.41	7.17	-47.36
CSCC[C@H](NC(=O)CC1=CC=CC=C1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300020167315	1	51	-1.0	-54.46	424.47	7.18	-47.28
CSCC[C@H](NC(=O)CC1=CC=C(O)C(Cl)=C1)C1=N[N-]N=N1	REAL300020167316	0	37	-1.0	-49.67	349.21	2.46	-47.21
CSCC[C@H](NC(=O)CC1=CC=C(O)C(Cl)=C1)C1=NN=N[N-]1	REAL300020167316	1	37	-1.0	-49.67	349.27	2.47	-47.20
CSCC[C@H](NC(=O)C=CC1=CC(C)=C(C)C=C1C)C1=N[N-]N=N1	REAL300020167317	0	46	-1.0	-46.78	387.95	7.00	-39.78
CSCC[C@H](NC(=O)C=CC1=CC(C)=C(C)C=C1C)C1=NN=N[N-]1	REAL300020167317	1	46	-1.0	-46.78	388.00	7.01	-39.77
CSCC[C@H](NC(=O)C1(C)CCC(F)(F)CC1)C1=N[N-]N=N1	REAL300020167318	0	42	-1.0	-46.32	346.80	4.84	-41.48
CSCC[C@H](NC(=O)C1(C)CCC(F)(F)CC1)C1=NN=N[N-]1	REAL300020167318	1	42	-1.0	-46.31	346.85	4.85	-41.46
CSCC[C@H](NC(=O)C=CC1=CSC(C(F)(F)F)=C1)C1=N[N-]N=N1	REAL300020167319	0	37	-1.0	-45.95	362.69	5.43	-40.52
CSCC[C@H](NC(=O)C=CC1=CSC(C(F)(F)F)=C1)C1=NN=N[N-]1	REAL300020167319	1	37	-1.0	-45.97	362.75	5.45	-40.52
CSCC[C@H](NC(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F)C1=N[N-]N=N1	REAL300020167320	0	42	-1.0	-44.23	348.68	4.94	-39.29
CSCC[C@H](NC(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F)C1=NN=N[N-]1	REAL300020167320	1	42	-1.0	-44.22	348.74	4.95	-39.27
CSCC[C@H](NC(=O)CC1=CSC(CCC(F)(F)F)=N1)C1=N[N-]N=N1	REAL300020167321	0	41	-1.0	-45.88	389.88	4.35	-41.53
CSCC[C@H](NC(=O)CC1=CSC(CCC(F)(F)F)=N1)C1=NN=N[N-]1	REAL300020167321	1	41	-1.0	-45.90	389.93	4.37	-41.53
CSCC[C@H](NC(=O)[C@@H]1C[C@H]1C1=C(F)C=CC=C1Cl)C1=N[N-]N=N1	REAL300020167322	0	40	-1.0	-47.87	366.86	6.50	-41.37
CSCC[C@H](NC(=O)[C@@H]1C[C@H]1C1=C(F)C=CC=C1Cl)C1=NN=N[N-]1	REAL300020167322	1	40	-1.0	-47.87	366.92	6.51	-41.36
CSCC[C@H](NC(=O)C(C)N1C=CC(C(F)(F)F)=N1)C1=NN=N[N-]1	REAL300020167323	0	39	-1.0	-52.87	362.31	3.68	-49.19
CSCC[C@H](NC(=O)C(C)N1C=CC(C(F)(F)F)=N1)C1=N[N-]N=N1	REAL300020167323	1	39	-1.0	-52.85	362.26	3.66	-49.19
CSCC[C@H](NC(=O)C(C)OCC1=CC=CC(C)=C1)C1=N[N-]N=N1	REAL300020167324	0	46	-1.0	-50.66	397.03	6.56	-44.10
CSCC[C@H](NC(=O)C(C)OCC1=CC=CC(C)=C1)C1=NN=N[N-]1	REAL300020167324	1	46	-1.0	-50.68	397.09	6.57	-44.11
CSCC[C@H](NC(=O)C=CC1=CC=CC=C1C(F)(F)F)C1=N[N-]N=N1	REAL300020167325	0	40	-1.0	-51.02	365.60	6.10	-44.92
CSCC[C@H](NC(=O)C=CC1=CC=CC=C1C(F)(F)F)C1=NN=N[N-]1	REAL300020167325	1	40	-1.0	-51.04	365.66	6.11	-44.93
CSCC[C@H](NC(=O)C=CC1=CC=C2NC=CC2=C1)C1=N[N-]N=N1	REAL300020167326	0	41	-1.0	-50.11	363.40	5.31	-44.80
CSCC[C@H](NC(=O)C=CC1=CC=C2NC=CC2=C1)C1=NN=N[N-]1	REAL300020167326	1	41	-1.0	-50.16	363.45	5.32	-44.84
COC(=O)C1=COC(C=CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020167327	0	40	-1.0	-49.84	371.46	4.18	-45.66
COC(=O)C1=COC(C=CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020167327	1	40	-1.0	-49.83	371.52	4.19	-45.64
CSCC[C@H](NC(=O)C1=CN(CC2CCCC2)N=C1)C1=NN=N[N-]1	REAL300020167328	0	46	-1.0	-47.16	389.27	5.39	-41.77
CSCC[C@H](NC(=O)C1=CN(CC2CCCC2)N=C1)C1=N[N-]N=N1	REAL300020167328	1	46	-1.0	-47.15	389.21	5.37	-41.78
COCCN1C=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=N1	REAL300020167329	0	40	-1.0	-46.38	357.82	1.76	-44.62
COCCN1C=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=N1	REAL300020167329	1	40	-1.0	-46.36	357.76	1.75	-44.61
COCCN1N=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1C	REAL300020167330	0	43	-1.0	-45.86	373.59	2.23	-43.63
COCCN1N=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1C	REAL300020167330	1	43	-1.0	-45.90	373.65	2.25	-43.65
CSCC[C@H](NC(=O)[C@H]1CCCN1C(C)=O)C1=N[N-]N=N1	REAL300020167331	0	40	-1.0	-62.31	342.69	2.50	-59.81
CSCC[C@H](NC(=O)[C@H]1CCCN1C(C)=O)C1=NN=N[N-]1	REAL300020167331	1	40	-1.0	-62.29	342.75	2.52	-59.77
CCOC(=O)N[C@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020167332	0	50	-1.0	-45.61	425.44	4.11	-41.50
CCOC(=O)N[C@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020167332	1	50	-1.0	-45.60	425.50	4.12	-41.48
CSCC[C@H](NC(=O)[C@@H]1[C@@H](C2=CC=CC=C2)C1(C)C)C1=N[N-]N=N1	REAL300020167333	0	46	-1.0	-46.30	383.02	7.06	-39.24
CSCC[C@H](NC(=O)[C@@H]1[C@@H](C2=CC=CC=C2)C1(C)C)C1=NN=N[N-]1	REAL300020167333	1	46	-1.0	-46.29	383.08	7.08	-39.21
COC1=CC(C)=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1C	REAL300020167334	0	43	-1.0	-47.55	362.97	4.80	-42.75
COC1=CC(C)=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1C	REAL300020167334	1	43	-1.0	-47.47	363.02	4.82	-42.65
CSCC[C@H](NC(=O)CCC1=CC=C(F)C2=C1CCCC2)C1=N[N-]N=N1	REAL300020167335	0	49	-1.0	-44.71	405.10	7.83	-36.88
CSCC[C@H](NC(=O)CCC1=CC=C(F)C2=C1CCCC2)C1=NN=N[N-]1	REAL300020167335	1	49	-1.0	-44.72	405.16	7.85	-36.87
CSCC[C@H](NC(=O)CC1(C2=CC=CC=C2)CC1)C1=N[N-]N=N1	REAL300020167336	0	43	-1.0	-46.74	369.51	6.74	-40.00
CSCC[C@H](NC(=O)CC1(C2=CC=CC=C2)CC1)C1=NN=N[N-]1	REAL300020167336	1	43	-1.0	-46.75	369.57	6.75	-40.00
CSCC[C@H](NC(=O)CC1=COC2=CC(Cl)=CC=C12)C1=N[N-]N=N1	REAL300020167337	0	39	-1.0	-49.03	366.71	5.64	-43.39
CSCC[C@H](NC(=O)CC1=COC2=CC(Cl)=CC=C12)C1=NN=N[N-]1	REAL300020167337	1	39	-1.0	-49.02	366.76	5.65	-43.37
CCC1=C2C=C(C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)NC2=CC=C1	REAL300020167338	0	43	-1.0	-46.33	373.72	5.42	-40.91
CCC1=C2C=C(C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)NC2=CC=C1	REAL300020167338	1	43	-1.0	-46.27	373.77	5.44	-40.83
COC1=CC=CN=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020167339	0	36	-1.0	-52.78	322.31	2.94	-49.84
COC1=CC=CN=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020167339	1	36	-1.0	-52.84	322.25	2.93	-49.91
CSCC[C@H](NC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F)C1=N[N-]N=N1	REAL300020167340	0	38	-1.0	-45.22	325.10	2.48	-42.74
CSCC[C@H](NC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F)C1=NN=N[N-]1	REAL300020167340	1	38	-1.0	-45.21	325.16	2.50	-42.71
CSCC[C@H](NC(=O)CCC1=CC=C(F)C2=CC=CC=C12)C1=N[N-]N=N1	REAL300020167341	0	45	-1.0	-45.26	391.59	7.72	-37.54
CSCC[C@H](NC(=O)CCC1=CC=C(F)C2=CC=CC=C12)C1=NN=N[N-]1	REAL300020167341	1	45	-1.0	-45.29	391.64	7.73	-37.56
CCOC(=O)C1(CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)CCOCC1	REAL300020167342	0	49	-1.0	-53.49	398.98	4.57	-48.92
CCOC(=O)C1(CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)CCOCC1	REAL300020167342	1	49	-1.0	-53.50	399.04	4.58	-48.92
CSCC[C@H](NC(=O)C1=CC(O)=CC(Br)=C1)C1=N[N-]N=N1	REAL300020167343	0	34	-1.0	-45.28	329.85	1.86	-43.42
CSCC[C@H](NC(=O)C1=CC(O)=CC(Br)=C1)C1=NN=N[N-]1	REAL300020167343	1	34	-1.0	-45.28	329.91	1.87	-43.41
CCC(C(=O)N[C@@H](CCSC)C1=N[N-]N=N1)C1=CC=C(Br)C=C1	REAL300020167344	0	42	-1.0	-44.18	378.95	6.61	-37.57
CCC(C(=O)N[C@@H](CCSC)C1=NN=N[N-]1)C1=CC=C(Br)C=C1	REAL300020167344	1	42	-1.0	-44.20	379.01	6.62	-37.58
CSCC[C@H](NC(=O)C1C2CC3=CC(Cl)=CC=C3C21)C1=N[N-]N=N1	REAL300020167345	0	41	-1.0	-43.65	373.06	7.15	-36.50
CSCC[C@H](NC(=O)C1C2CC3=CC(Cl)=CC=C3C21)C1=NN=N[N-]1	REAL300020167345	1	41	-1.0	-43.69	373.12	7.16	-36.53
CSCC[C@H](NC(=O)CCCC1=CC=C2OCCCOC2=C1)C1=N[N-]N=N1	REAL300020167346	0	51	-1.0	-50.86	427.90	6.30	-44.56
CSCC[C@H](NC(=O)CCCC1=CC=C2OCCCOC2=C1)C1=NN=N[N-]1	REAL300020167346	1	51	-1.0	-50.86	427.96	6.32	-44.54
COC1=CC=C(C2=CN=CC(C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)=C2)C(C)=C1	REAL300020167347	0	49	-1.0	-46.49	418.13	5.61	-40.88
COC1=CC=C(C2=CN=CC(C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)=C2)C(C)=C1	REAL300020167347	1	49	-1.0	-46.51	418.08	5.60	-40.91
CSCC[C@H](NC(=O)C1CC2CC1C1CC12)C1=N[N-]N=N1	REAL300020167348	0	41	-1.0	-46.98	332.35	5.12	-41.86
CSCC[C@H](NC(=O)C1CC2CC1C1CC12)C1=NN=N[N-]1	REAL300020167348	1	41	-1.0	-46.95	332.40	5.14	-41.81
CSCC[C@H](NC(=O)C1CC2=CC=C(Cl)C=C21)C1=N[N-]N=N1	REAL300020167349	0	37	-1.0	-46.67	343.96	5.83	-40.84
CSCC[C@H](NC(=O)C1CC2=CC=C(Cl)C=C21)C1=NN=N[N-]1	REAL300020167349	1	37	-1.0	-46.71	344.01	5.85	-40.86
CSCC[C@H](NC(=O)C1=CC=C(C2CCOCC2)C=C1)C1=N[N-]N=N1	REAL300020167350	0	47	-1.0	-46.80	390.04	5.46	-41.34
CSCC[C@H](NC(=O)C1=CC=C(C2CCOCC2)C=C1)C1=NN=N[N-]1	REAL300020167350	1	47	-1.0	-46.76	390.09	5.48	-41.28
CCN1C=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C(C)=N1	REAL300020167351	0	39	-1.0	-49.19	342.20	3.30	-45.89
CCN1C=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C(C)=N1	REAL300020167351	1	39	-1.0	-49.18	342.25	3.31	-45.87
CSCC[C@H](NC(=O)CC1=CC=C(C#N)N=C1)C1=NN=N[N-]1	REAL300020167352	0	36	-1.0	-47.81	338.04	3.29	-44.52
CSCC[C@H](NC(=O)CC1=CC=C(C#N)N=C1)C1=N[N-]N=N1	REAL300020167352	1	36	-1.0	-47.77	337.98	3.28	-44.49
CSCC[C@H](NC(=O)C1=CN=C2C(=C1)NC(=O)CN2C)C1=NN=N[N-]1	REAL300020167353	0	42	-1.0	-47.42	366.56	0.61	-46.81
CSCC[C@H](NC(=O)C1=CN=C2C(=C1)NC(=O)CN2C)C1=N[N-]N=N1	REAL300020167353	1	42	-1.0	-47.42	366.50	0.59	-46.83
CSCC[C@H](NC(=O)C1=CC(C)=CC(Br)=C1F)C1=N[N-]N=N1	REAL300020167354	0	36	-1.0	-49.51	344.07	5.42	-44.09
CSCC[C@H](NC(=O)C1=CC(C)=CC(Br)=C1F)C1=NN=N[N-]1	REAL300020167354	1	36	-1.0	-49.51	344.13	5.43	-44.08
CSCC[C@H](NC(=O)C1=CSC(N(C)C2=CC=CC=C2)=N1)C1=NN=N[N-]1	REAL300020167355	0	44	-1.0	-46.55	402.03	6.43	-40.12
CSCC[C@H](NC(=O)C1=CSC(N(C)C2=CC=CC=C2)=N1)C1=N[N-]N=N1	REAL300020167355	1	44	-1.0	-46.56	401.97	6.42	-40.14
COC1=CC=C(C=CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1O	REAL300020167356	0	42	-1.0	-49.54	372.22	2.42	-47.12
COC1=CC=C(C=CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1O	REAL300020167356	1	42	-1.0	-49.54	372.28	2.44	-47.10
CSCC[C@H](NC(=O)C=CC1=C(C(F)(F)F)SC=C1)C1=N[N-]N=N1	REAL300020167357	0	37	-1.0	-49.39	357.75	5.26	-44.13
CSCC[C@H](NC(=O)C=CC1=C(C(F)(F)F)SC=C1)C1=NN=N[N-]1	REAL300020167357	1	37	-1.0	-49.32	357.80	5.27	-44.05
CSCC[C@H](NC(=O)C1=CC2=NC=CC=C2C=C1)C1=NN=N[N-]1	REAL300020167358	0	38	-1.0	-53.01	338.66	4.49	-48.52
CSCC[C@H](NC(=O)C1=CC2=NC=CC=C2C=C1)C1=N[N-]N=N1	REAL300020167358	1	38	-1.0	-52.98	338.60	4.48	-48.50
CSCC[C@H](NC(=O)CCC1=CC=C(C(F)F)C=C1)C1=N[N-]N=N1	REAL300020167359	0	42	-1.0	-45.98	377.72	6.50	-39.48
CSCC[C@H](NC(=O)CCC1=CC=C(C(F)F)C=C1)C1=NN=N[N-]1	REAL300020167359	1	42	-1.0	-45.99	377.78	6.51	-39.48
CSCC[C@H](NC(=O)C1=CN=CC(C(F)F)=C1)C1=NN=N[N-]1	REAL300020167360	0	35	-1.0	-49.24	326.80	3.23	-46.01
CSCC[C@H](NC(=O)C1=CN=CC(C(F)F)=C1)C1=N[N-]N=N1	REAL300020167360	1	35	-1.0	-49.23	326.74	3.22	-46.01
CSCC[C@H](NC(=O)C1=C(C)N=C(C2CCOC2)S1)C1=N[N-]N=N1	REAL300020167361	0	43	-1.0	-44.66	379.57	2.66	-42.00
CSCC[C@H](NC(=O)C1=C(C)N=C(C2CCOC2)S1)C1=NN=N[N-]1	REAL300020167361	1	43	-1.0	-44.66	379.63	2.67	-41.99
CSCC[C@H](NC(=O)C1=CC=C(NCC2=CN(C)N=C2)C=C1)C1=NN=N[N-]1	REAL300020167362	0	48	-1.0	-52.13	416.61	4.53	-47.60
CSCC[C@H](NC(=O)C1=CC=C(NCC2=CN(C)N=C2)C=C1)C1=N[N-]N=N1	REAL300020167362	1	48	-1.0	-52.12	416.56	4.51	-47.61
CSCC[C@H](NC(=O)C1=CC=C(NCC2=NC=CN2C)C=C1)C1=N[N-]N=N1	REAL300020167363	0	48	-1.0	-51.61	414.26	5.07	-46.54
CSCC[C@H](NC(=O)C1=CC=C(NCC2=NC=CN2C)C=C1)C1=NN=N[N-]1	REAL300020167363	1	48	-1.0	-51.56	414.32	5.08	-46.48
CSCC[C@H](NC(=O)C1=C(N)C2=CC=CN=C2S1)C1=NN=N[N-]1	REAL300020167364	0	37	-1.0	-49.11	340.50	1.81	-47.30
CSCC[C@H](NC(=O)C1=C(N)C2=CC=CN=C2S1)C1=N[N-]N=N1	REAL300020167364	1	37	-1.0	-49.14	340.45	1.79	-47.35
CSCC[C@H](NC(=O)C1=CN=C(NC2CC2)S1)C1=NN=N[N-]1	REAL300020167365	0	38	-1.0	-46.32	353.95	3.05	-43.27
CSCC[C@H](NC(=O)C1=CN=C(NC2CC2)S1)C1=N[N-]N=N1	REAL300020167365	1	38	-1.0	-46.28	353.89	3.04	-43.24
CSCC[C@H](NC(=O)C1=CC=C(NCCC2=CC=CC=N2)C=C1)C1=N[N-]N=N1	REAL300020167366	0	50	-1.0	-51.18	429.43	5.71	-45.47
CSCC[C@H](NC(=O)C1=CC=C(NCCC2=CC=CC=N2)C=C1)C1=NN=N[N-]1	REAL300020167366	1	50	-1.0	-51.20	429.48	5.72	-45.48
CSCC[C@H](NC(=O)C1=CC=C(NCCN2C=CN=C2)C=C1)C1=N[N-]N=N1	REAL300020167367	0	48	-1.0	-53.46	415.72	6.30	-47.16
CSCC[C@H](NC(=O)C1=CC=C(NCCN2C=CN=C2)C=C1)C1=NN=N[N-]1	REAL300020167367	1	48	-1.0	-53.49	415.78	6.31	-47.18
CSCC[C@H](NC(=O)C1=C2N=CC=CN2C=N1)C1=NN=N[N-]1	REAL300020167368	0	35	-1.0	-63.24	322.60	4.56	-58.68
CSCC[C@H](NC(=O)C1=C2N=CC=CN2C=N1)C1=N[N-]N=N1	REAL300020167368	1	35	-1.0	-63.23	322.55	4.54	-58.69
CSCC[C@H](NC(=O)C1=CC=C(NCC2=CSC=C2)C=C1)C1=N[N-]N=N1	REAL300020167369	0	45	-1.0	-48.13	403.73	5.65	-42.48
CSCC[C@H](NC(=O)C1=CC=C(NCC2=CSC=C2)C=C1)C1=NN=N[N-]1	REAL300020167369	1	45	-1.0	-48.11	403.78	5.67	-42.44
CSCC[C@H](NC(=O)C(C)C1=CC=C(C#N)C=C1)C1=N[N-]N=N1	REAL300020167370	0	40	-1.0	-48.28	358.89	5.69	-42.59
CSCC[C@H](NC(=O)C(C)C1=CC=C(C#N)C=C1)C1=NN=N[N-]1	REAL300020167370	1	40	-1.0	-48.25	358.94	5.71	-42.54
CCOC(C(=O)N[C@@H](CCSC)C1=N[N-]N=N1)C1CCOC1	REAL300020167371	0	44	-1.0	-47.67	367.84	3.26	-44.41
CCOC(C(=O)N[C@@H](CCSC)C1=NN=N[N-]1)C1CCOC1	REAL300020167371	1	44	-1.0	-47.65	367.91	3.27	-44.38
CSCC[C@H](NC(=O)C(C)C(C)C(C)(C)C)C1=N[N-]N=N1	REAL300020167372	0	47	-1.0	-47.04	358.11	4.68	-42.36
CSCC[C@H](NC(=O)C(C)C(C)C(C)(C)C)C1=NN=N[N-]1	REAL300020167372	1	47	-1.0	-47.02	358.17	4.70	-42.32
CSCC[C@H](NC(=O)C1=CN(C)N=C1C1=CC(F)=CC=C1F)C1=NN=N[N-]1	REAL300020167373	0	43	-1.0	-52.43	391.95	5.54	-46.89
CSCC[C@H](NC(=O)C1=CN(C)N=C1C1=CC(F)=CC=C1F)C1=N[N-]N=N1	REAL300020167373	1	43	-1.0	-52.44	391.90	5.53	-46.91
COC1=CC=CC(C(C)(C)C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020167374	0	46	-1.0	-53.56	382.68	4.98	-48.58
COC1=CC=CC(C(C)(C)C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020167374	1	46	-1.0	-53.61	382.74	4.99	-48.62
COC1=CC=CC=C1C1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)S1	REAL300020167375	0	44	-1.0	-48.58	399.56	6.31	-42.27
COC1=CC=CC=C1C1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)S1	REAL300020167375	1	44	-1.0	-48.59	399.62	6.33	-42.26
CSCC[C@H](NC(=O)C1=CC=C(CC(C)(C)C)C=C1)C1=N[N-]N=N1	REAL300020167376	0	48	-1.0	-46.19	393.96	7.09	-39.10
CSCC[C@H](NC(=O)C1=CC=C(CC(C)(C)C)C=C1)C1=NN=N[N-]1	REAL300020167376	1	48	-1.0	-46.23	394.01	7.11	-39.12
CCOC1COCCC1CC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020167377	0	47	-1.0	-46.36	386.54	2.68	-43.68
CCOC1COCCC1CC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020167377	1	47	-1.0	-46.38	386.60	2.70	-43.68
CSCC[C@H](NC(=O)C1(NC(=O)OC(C)(C)C)CC1(F)F)C1=N[N-]N=N1	REAL300020167378	0	47	-1.0	-49.96	407.89	2.13	-47.83
CSCC[C@H](NC(=O)C1(NC(=O)OC(C)(C)C)CC1(F)F)C1=NN=N[N-]1	REAL300020167378	1	47	-1.0	-50.00	407.94	2.13	-47.87
CSCC[C@H](NC(=O)C=CCCC1=CC=CC=C1)C1=N[N-]N=N1	REAL300020167379	0	43	-1.0	-46.17	378.21	6.95	-39.22
CSCC[C@H](NC(=O)C=CCCC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020167379	1	43	-1.0	-46.18	378.27	6.97	-39.21
CSCC[C@H](NC(=O)C=CCOC1CCOCC1)C1=N[N-]N=N1	REAL300020167380	0	45	-1.0	-48.07	384.02	2.69	-45.38
CSCC[C@H](NC(=O)C=CCOC1CCOCC1)C1=NN=N[N-]1	REAL300020167380	1	45	-1.0	-48.01	384.08	2.71	-45.30
CSCC[C@H](NC(=O)C=CC1=CC=C(Cl)N=C1)C1=N[N-]N=N1	REAL300020167381	0	36	-1.0	-46.05	343.81	3.93	-42.12
CSCC[C@H](NC(=O)C=CC1=CC=C(Cl)N=C1)C1=NN=N[N-]1	REAL300020167381	1	36	-1.0	-46.00	343.87	3.94	-42.06
COC(=O)C1=CC=C(C=CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)O1	REAL300020167382	0	40	-1.0	-46.15	372.97	4.33	-41.82
COC(=O)C1=CC=C(C=CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)O1	REAL300020167382	1	40	-1.0	-46.20	373.03	4.34	-41.86
CSCC[C@H](NC(=O)C1=C(CC#N)C=CS1)C1=N[N-]N=N1	REAL300020167383	0	34	-1.0	-52.26	327.24	4.22	-48.04
CSCC[C@H](NC(=O)C1=C(CC#N)C=CS1)C1=NN=N[N-]1	REAL300020167383	1	34	-1.0	-52.26	327.30	4.24	-48.02
CSCC[C@H](NC(=O)[C@H]1CC(=O)N(C)[C@@H]1C1=CC=CC(F)=C1)C1=N[N-]N=N1	REAL300020167384	0	47	-1.0	-45.44	406.25	5.69	-39.75
CSCC[C@H](NC(=O)[C@H]1CC(=O)N(C)[C@@H]1C1=CC=CC(F)=C1)C1=NN=N[N-]1	REAL300020167384	1	47	-1.0	-45.40	406.31	5.71	-39.69
CSCC[C@H](NC(=O)C1=CC=C(C2=CN(C)N=C2)C=C1)C1=NN=N[N-]1	REAL300020167385	0	43	-1.0	-51.69	377.57	5.40	-46.29
CSCC[C@H](NC(=O)C1=CC=C(C2=CN(C)N=C2)C=C1)C1=N[N-]N=N1	REAL300020167385	1	43	-1.0	-51.70	377.51	5.38	-46.32
CSCC[C@H](NC(=O)CN1N=C(C)C=C1C(F)F)C1=N[N-]N=N1	REAL300020167386	0	39	-1.0	-52.99	358.13	3.45	-49.54
CSCC[C@H](NC(=O)CN1N=C(C)C=C1C(F)F)C1=NN=N[N-]1	REAL300020167386	1	39	-1.0	-52.98	358.19	3.47	-49.51
CSCC[C@H](NC(=O)CC1=CN2C=C(F)C=CC2=N1)C1=N[N-]N=N1	REAL300020167387	0	39	-1.0	-52.25	354.68	5.44	-46.81
CSCC[C@H](NC(=O)CC1=CN2C=C(F)C=CC2=N1)C1=NN=N[N-]1	REAL300020167387	1	39	-1.0	-52.25	354.74	5.45	-46.80
CCC1(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)CCNC1=O	REAL300020167388	0	40	-1.0	-58.09	337.24	0.50	-57.59
CCC1(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)CCNC1=O	REAL300020167388	1	40	-1.0	-58.10	337.30	0.52	-57.58
CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)C1=CC=CC=N1)C1=NN=N[N-]1	REAL300020167389	0	46	-1.0	-57.27	390.72	5.52	-51.75
CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)C1=CC=CC=N1)C1=N[N-]N=N1	REAL300020167389	1	46	-1.0	-57.33	390.66	5.50	-51.83
CCOC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C1	REAL300020167390	0	45	-1.0	-51.61	382.24	5.19	-46.42
CCOC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C1	REAL300020167390	1	45	-1.0	-51.62	382.30	5.21	-46.41
COC(=O)C1=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CC=C1C	REAL300020167391	0	42	-1.0	-47.97	368.31	5.28	-42.69
COC(=O)C1=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CC=C1C	REAL300020167391	1	42	-1.0	-47.98	368.37	5.30	-42.68
COC1=CN=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C(F)=C1	REAL300020167392	0	36	-1.0	-49.13	328.86	1.74	-47.39
COC1=CN=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C(F)=C1	REAL300020167392	1	36	-1.0	-49.15	328.81	1.73	-47.42
CSCC[C@H](NC(=O)C1=CC=CN(C(C)(C)C)C1=O)C1=N[N-]N=N1	REAL300020167393	0	45	-1.0	-57.44	371.03	5.00	-52.44
CSCC[C@H](NC(=O)C1=CC=CN(C(C)(C)C)C1=O)C1=NN=N[N-]1	REAL300020167393	1	45	-1.0	-57.44	371.09	5.01	-52.43
CSCC[C@H](NC(=O)C1=CC2=C(Cl)C=CC=C2N=C1C)C1=N[N-]N=N1	REAL300020167394	0	41	-1.0	-45.25	369.52	5.57	-39.68
CSCC[C@H](NC(=O)C1=CC2=C(Cl)C=CC=C2N=C1C)C1=NN=N[N-]1	REAL300020167394	1	41	-1.0	-45.27	369.58	5.58	-39.69
CSCC[C@H](NC(=O)CC1=CN2C(C)=CSC2=N1)C1=N[N-]N=N1	REAL300020167395	0	39	-1.0	-55.50	360.18	5.12	-50.38
CSCC[C@H](NC(=O)CN1C=NC=C1C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020167396	0	43	-1.0	-51.53	373.75	6.83	-44.70
CSCC[C@H](NC(=O)CN1C=NC=C1C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020167396	1	43	-1.0	-51.53	373.81	6.84	-44.69
CSCC[C@H](NC(=O)C1=CC(Br)=CN2C=CN=C12)C1=NN=N[N-]1	REAL300020167397	0	36	-1.0	-50.96	344.48	5.85	-45.11
CSCC[C@H](NC(=O)C1=CC(Br)=CN2C=CN=C12)C1=N[N-]N=N1	REAL300020167397	1	36	-1.0	-50.95	344.43	5.83	-45.12
CSCC[C@H](NC(=O)C(C)CN1C=CC(C)=N1)C1=N[N-]N=N1	REAL300020167398	0	42	-1.0	-47.50	364.90	4.12	-43.38
CSCC[C@H](NC(=O)C(C)CN1C=CC(C)=N1)C1=NN=N[N-]1	REAL300020167398	1	42	-1.0	-47.54	364.96	4.13	-43.41
CSCC[C@H](NC(=O)C1=CC=CN(C2CC2)C1=O)C1=N[N-]N=N1	REAL300020167399	0	40	-1.0	-59.40	347.81	4.58	-54.82
CSCC[C@H](NC(=O)C1=CC=CN(C2CC2)C1=O)C1=NN=N[N-]1	REAL300020167399	1	40	-1.0	-59.41	347.87	4.60	-54.81
CSCC[C@H](NC(=O)CN1CCCCC(=O)C1=O)C1=N[N-]N=N1	REAL300020167400	0	42	-1.0	-64.37	363.96	2.95	-61.42
CSCC[C@H](NC(=O)CN1CCCCC(=O)C1=O)C1=NN=N[N-]1	REAL300020167400	1	42	-1.0	-64.38	364.01	2.96	-61.42
CSCC[C@H](NC(=O)C1CC2CCCCC(C1)C2=O)C1=N[N-]N=N1	REAL300020167401	0	48	-1.0	-48.83	377.12	5.41	-43.42
CSCC[C@H](NC(=O)C1CC2CCCCC(C1)C2=O)C1=NN=N[N-]1	REAL300020167401	1	48	-1.0	-48.82	377.17	5.42	-43.40
CSCC[C@H](NC(=O)C1=CC(C)=CN=C1F)C1=NN=N[N-]1	REAL300020167402	0	35	-1.0	-51.26	318.60	2.94	-48.32
CSCC[C@H](NC(=O)C1=CC(C)=CN=C1F)C1=N[N-]N=N1	REAL300020167402	1	35	-1.0	-51.17	318.54	2.92	-48.25
CSCC[C@H](NC(=O)C1=CN=C(F)C=C1C)C1=N[N-]N=N1	REAL300020167403	0	35	-1.0	-42.24	315.22	2.93	-39.31
CSCC[C@H](NC(=O)C1=CN=C(F)C=C1C)C1=NN=N[N-]1	REAL300020167403	1	35	-1.0	-42.25	315.28	2.95	-39.30
CSCC[C@H](NC(=O)C(CO)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300020167404	0	47	-1.0	-46.36	397.00	-1.49	-47.85
CSCC[C@H](NC(=O)C(CO)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300020167404	1	47	-1.0	-46.43	397.06	-1.48	-47.91
CSCC[C@H](NC(=O)CC1=NC(F)=C(F)C=C1F)C1=N[N-]N=N1	REAL300020167405	0	35	-1.0	-45.19	335.21	2.91	-42.28
CSCC[C@H](NC(=O)CC1=NC(F)=C(F)C=C1F)C1=NN=N[N-]1	REAL300020167405	1	35	-1.0	-45.18	335.27	2.92	-42.26
COC1=NSC=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020167406	0	33	-1.0	-49.35	314.07	0.96	-48.39
COC1=NSC=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020167406	1	33	-1.0	-49.33	314.02	0.94	-48.39
C=CC(=O)NC1=CC=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020167407	0	41	-1.0	-59.46	365.76	3.54	-55.92
C=CC(=O)NC1=CC=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020167407	1	41	-1.0	-59.47	365.82	3.56	-55.91
CSCC[C@H](NC(=O)C=CC1=CC=CC(O)=C1)C1=N[N-]N=N1	REAL300020167408	0	38	-1.0	-47.84	343.10	2.42	-45.42
CSCC[C@H](NC(=O)C=CC1=CC=CC(O)=C1)C1=NN=N[N-]1	REAL300020167408	1	38	-1.0	-47.85	343.15	2.44	-45.41
CSCC[C@H](NC(=O)C1=CC=CC=C1NCC(F)(F)F)C1=N[N-]N=N1	REAL300020167409	0	41	-1.0	-48.23	368.04	4.51	-43.72
CSCC[C@H](NC(=O)C1=CC=CC=C1NCC(F)(F)F)C1=NN=N[N-]1	REAL300020167409	1	41	-1.0	-48.21	368.10	4.52	-43.69
CCOC1CC2(CC2C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C1	REAL300020167410	0	44	-1.0	-50.95	373.14	4.45	-46.50
CCOC1CC2(CC2C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C1	REAL300020167410	1	44	-1.0	-50.91	373.20	4.46	-46.45
CSCC[C@H](NC(=O)CC[C@H]1CC[C@@H](C(N)=O)O1)C1=N[N-]N=N1	REAL300020167411	0	44	-1.0	-60.78	378.35	0.76	-60.02
CSCC[C@H](NC(=O)CC[C@H]1CC[C@@H](C(N)=O)O1)C1=NN=N[N-]1	REAL300020167411	1	44	-1.0	-60.81	378.41	0.77	-60.04
CCC1=CC2=C(SC=C2CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)S1	REAL300020167412	0	42	-1.0	-48.22	393.13	6.78	-41.44
CCC1=CC2=C(SC=C2CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)S1	REAL300020167412	1	42	-1.0	-48.19	393.19	6.79	-41.40
CSCC[C@H](NC(=O)C1=CN(C(F)F)N=C1)C1=NN=N[N-]1	REAL300020167413	0	33	-1.0	-46.35	315.20	1.98	-44.37
CSCC[C@H](NC(=O)C1=CN(C(F)F)N=C1)C1=N[N-]N=N1	REAL300020167413	1	33	-1.0	-46.31	315.15	1.96	-44.35
CSCC[C@H](NC(=O)C1=CC(C(F)(F)F)=NC=N1)C1=NN=N[N-]1	REAL300020167414	0	34	-1.0	-41.52	329.81	3.21	-38.31
CSCC[C@H](NC(=O)C1=CC(C(F)(F)F)=NC=N1)C1=N[N-]N=N1	REAL300020167414	1	34	-1.0	-41.50	329.76	3.19	-38.31
CCCC1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)S1	REAL300020167415	0	39	-1.0	-45.39	354.49	5.45	-39.94
CCCC1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)S1	REAL300020167415	1	39	-1.0	-45.39	354.55	5.46	-39.93
CCOCCCCCC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020167416	0	45	-1.0	-47.58	382.17	4.14	-43.44
CCOCCCCCC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020167416	1	45	-1.0	-47.55	382.22	4.16	-43.39
CSCC[C@H](NC(=O)CCCOC1CCOCC1)C1=N[N-]N=N1	REAL300020167417	0	47	-1.0	-49.11	392.27	2.86	-46.25
CSCC[C@H](NC(=O)CCCOC1CCOCC1)C1=NN=N[N-]1	REAL300020167417	1	47	-1.0	-49.08	392.33	2.87	-46.21
CSCC[C@H](NC(=O)C1=COC2=C1C(=O)NCC(C)(C)C2)C1=N[N-]N=N1	REAL300020167418	0	47	-1.0	-61.96	395.94	3.01	-58.95
CSCC[C@H](NC(=O)C1=COC2=C1C(=O)NCC(C)(C)C2)C1=NN=N[N-]1	REAL300020167418	1	47	-1.0	-61.94	396.00	3.02	-58.92
CSCC[C@H](NC(=O)C1=NC=C2CCCCN21)C1=NN=N[N-]1	REAL300020167419	0	40	-1.0	-47.60	341.73	4.18	-43.42
CSCC[C@H](NC(=O)C1=NC=C2CCCCN21)C1=N[N-]N=N1	REAL300020167419	1	40	-1.0	-47.51	341.67	4.16	-43.35
CSCC[C@H](NC(=O)CCOC(=O)CNC(=O)C(C)(C)C)C1=N[N-]N=N1	REAL300020167420	0	51	-1.0	-49.43	436.88	3.25	-46.18
CSCC[C@H](NC(=O)CCOC(=O)CNC(=O)C(C)(C)C)C1=NN=N[N-]1	REAL300020167420	1	51	-1.0	-49.50	436.93	3.26	-46.24
CSCC[C@H](NC(=O)[C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300020167421	0	56	-1.0	-46.84	444.54	4.65	-42.19
CSCC[C@H](NC(=O)[C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300020167421	1	56	-1.0	-46.88	444.59	4.66	-42.22
CCN1C=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C(C2CC2)=N1	REAL300020167422	0	43	-1.0	-50.00	373.71	4.86	-45.14
CCN1C=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C(C2CC2)=N1	REAL300020167422	1	43	-1.0	-50.00	373.77	4.88	-45.12
CSCC[C@H](NC(=O)CC1=CSC2=C1C=C(C)S2)C1=N[N-]N=N1	REAL300020167423	0	39	-1.0	-48.24	371.64	6.00	-42.24
CSCC[C@H](NC(=O)CC1=CSC2=C1C=C(C)S2)C1=NN=N[N-]1	REAL300020167423	1	39	-1.0	-48.21	371.70	6.01	-42.20
CSCC[C@H](NC(=O)C1CC(NC(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300020167424	0	50	-1.0	-47.80	414.86	2.83	-44.97
CSCC[C@H](NC(=O)C1CC(NC(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300020167424	1	50	-1.0	-47.81	414.91	2.84	-44.97
CSCC[C@H](NC(=O)C[C@@H](C)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300020167425	0	49	-1.0	-53.26	408.01	2.82	-50.44
CSCC[C@H](NC(=O)C[C@@H](C)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300020167425	1	49	-1.0	-53.27	408.07	2.83	-50.44
CSCC[C@H](NC(=O)CCN(CC1CC1)C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300020167426	0	56	-1.0	-45.18	460.52	6.65	-38.53
CSCC[C@H](NC(=O)CCN(CC1CC1)C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300020167426	1	56	-1.0	-45.22	460.58	6.67	-38.55
CSCC[C@H](NC(=O)[C@@H]1CCCC[C@H]1C1=CC=CC(Cl)=C1)C1=N[N-]N=N1	REAL300020167427	0	49	-1.0	-49.50	413.26	8.17	-41.33
CSCC[C@H](NC(=O)[C@@H]1CCCC[C@H]1C1=CC=CC(Cl)=C1)C1=NN=N[N-]1	REAL300020167427	1	49	-1.0	-49.51	413.32	8.19	-41.32
CSCC[C@H](NC(=O)C1=CNN=C1C1CCCO1)C1=N[N-]N=N1	REAL300020167428	0	41	-1.0	-51.96	354.23	1.34	-50.62
CSCC[C@H](NC(=O)C1=CNN=C1C1CCCO1)C1=NN=N[N-]1	REAL300020167428	1	41	-1.0	-51.93	354.29	1.36	-50.57
CSCC[C@H](NC(=O)C1=C(C2CC2)NN=C1Cl)C1=N[N-]N=N1	REAL300020167429	0	37	-1.0	-49.33	350.13	3.01	-46.32
CSCC[C@H](NC(=O)C1=C(C2CC2)NN=C1Cl)C1=NN=N[N-]1	REAL300020167429	1	37	-1.0	-49.32	350.19	3.02	-46.30
COC(C(=O)N[C@@H](CCSC)C1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL300020167430	0	45	-1.0	-50.98	383.15	4.46	-46.52
COC(C(=O)N[C@@H](CCSC)C1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL300020167430	1	45	-1.0	-50.97	383.20	4.48	-46.49
CSCC[C@H](NC(=O)C1(C#N)CCCOC1)C1=N[N-]N=N1	REAL300020167431	0	38	-1.0	-39.61	331.43	1.96	-37.65
CSCC[C@H](NC(=O)C1(C#N)CCCOC1)C1=NN=N[N-]1	REAL300020167431	1	38	-1.0	-39.62	331.48	1.97	-37.65
CSCC[C@H](NC(=O)CCC1=CC=CC2=CC=CC=C21)C1=N[N-]N=N1	REAL300020167432	0	45	-1.0	-46.24	386.04	7.69	-38.55
CSCC[C@H](NC(=O)CCC1=CC=CC2=CC=CC=C21)C1=NN=N[N-]1	REAL300020167432	1	45	-1.0	-46.26	386.10	7.70	-38.56
CSCC[C@H](NC(=O)C(C)CCC1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL300020167433	0	45	-1.0	-47.95	387.62	6.95	-41.00
CSCC[C@H](NC(=O)C(C)CCC1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL300020167433	1	45	-1.0	-47.96	387.67	6.96	-41.00
CSCC[C@H](NC(=O)CC(C)(C)C1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL300020167434	0	45	-1.0	-44.03	373.95	6.39	-37.64
CSCC[C@H](NC(=O)CC(C)(C)C1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL300020167434	1	45	-1.0	-44.06	374.01	6.41	-37.65
CSCC[C@H](NC(=O)C1=CC2=C(Cl)N=CC=C2S1)C1=NN=N[N-]1	REAL300020167435	0	35	-1.0	-46.11	347.67	4.15	-41.96
CSCC[C@H](NC(=O)C1=CC2=C(Cl)N=CC=C2S1)C1=N[N-]N=N1	REAL300020167435	1	35	-1.0	-46.11	347.61	4.14	-41.97
COCC1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1F	REAL300020167436	0	40	-1.0	-44.12	356.27	4.02	-40.10
COCC1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1F	REAL300020167436	1	40	-1.0	-44.15	356.33	4.04	-40.11
CCN1N=CN=C1C1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020167437	0	45	-1.0	-48.40	387.45	6.60	-41.80
CCN1N=CN=C1C1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020167437	1	45	-1.0	-48.42	387.39	6.58	-41.84
CSCC[C@H](NC(=O)CN1C=CC(Br)=CC1=O)C1=N[N-]N=N1	REAL300020167438	0	36	-1.0	-59.99	347.65	4.00	-55.99
CSCC[C@H](NC(=O)CN1C=CC(Br)=CC1=O)C1=NN=N[N-]1	REAL300020167438	1	36	-1.0	-60.02	347.71	4.02	-56.00
CSCC[C@H](NC(=O)C(CC1=CC=CN=C1)C1CCCC1)C1=N[N-]N=N1	REAL300020167439	0	51	-1.0	-45.88	406.33	6.83	-39.05
CSCC[C@H](NC(=O)C(CC1=CC=CN=C1)C1CCCC1)C1=NN=N[N-]1	REAL300020167439	1	51	-1.0	-45.89	406.38	6.84	-39.05
CSCC[C@H](NC(=O)C1=CC2=CC=NC(Cl)=C2S1)C1=NN=N[N-]1	REAL300020167440	0	35	-1.0	-44.20	348.05	4.14	-40.06
CSCC[C@H](NC(=O)C1=CC2=CC=NC(Cl)=C2S1)C1=N[N-]N=N1	REAL300020167440	1	35	-1.0	-44.24	347.99	4.12	-40.12
CCS(=O)(=O)C1=CC=C(OC)C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020167441	0	46	-1.0	-53.93	406.96	3.07	-50.86
CCS(=O)(=O)C1=CC=C(OC)C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020167441	1	46	-1.0	-53.93	407.02	3.08	-50.85
CSCC[C@H](NC(=O)C1=CC=NC(N2C=CC=C2)=C1)C1=NN=N[N-]1	REAL300020167442	0	40	-1.0	-46.77	355.98	6.20	-40.57
CSCC[C@H](NC(=O)C1=CC=NC(N2C=CC=C2)=C1)C1=N[N-]N=N1	REAL300020167442	1	40	-1.0	-46.75	355.92	6.19	-40.56
CSCC[C@H](NC(=O)C1CCC12CCOCC2)C1=N[N-]N=N1	REAL300020167443	0	44	-1.0	-48.08	356.85	3.41	-44.67
CSCC[C@H](NC(=O)C1CCC12CCOCC2)C1=NN=N[N-]1	REAL300020167443	1	44	-1.0	-48.02	356.91	3.43	-44.59
CSCC[C@H](NC(=O)C1=CN2C=CN=C2N=C1)C1=NN=N[N-]1	REAL300020167444	0	35	-1.0	-47.08	319.12	5.23	-41.85
CSCC[C@H](NC(=O)C1=CN2C=CN=C2N=C1)C1=N[N-]N=N1	REAL300020167444	1	35	-1.0	-47.04	319.06	5.21	-41.83
CSCC[C@H](NC(=O)C1=CC=CC(OC2=CC=CC=N2)=C1)C1=NN=N[N-]1	REAL300020167445	0	43	-1.0	-53.41	384.23	4.48	-48.93
CSCC[C@H](NC(=O)C1=CC=CC(OC2=CC=CC=N2)=C1)C1=N[N-]N=N1	REAL300020167445	1	43	-1.0	-53.41	384.17	4.46	-48.95
CCOC(C(=O)N[C@@H](CCSC)C1=N[N-]N=N1)C1CCOCC1	REAL300020167446	0	47	-1.0	-49.09	385.02	3.52	-45.57
CCOC(C(=O)N[C@@H](CCSC)C1=NN=N[N-]1)C1CCOCC1	REAL300020167446	1	47	-1.0	-49.09	385.07	3.53	-45.56
CCOC(C(=O)N[C@@H](CCSC)C1=N[N-]N=N1)C1CCCC1	REAL300020167447	0	46	-1.0	-46.18	379.96	5.62	-40.56
CCOC(C(=O)N[C@@H](CCSC)C1=NN=N[N-]1)C1CCCC1	REAL300020167447	1	46	-1.0	-46.23	380.01	5.63	-40.60
CSCC[C@H](NC(=O)C1=CC=C2CC(C)(C)OC2=C1)C1=N[N-]N=N1	REAL300020167448	0	44	-1.0	-50.59	374.87	5.33	-45.26
CSCC[C@H](NC(=O)C1=CC=C2CC(C)(C)OC2=C1)C1=NN=N[N-]1	REAL300020167448	1	44	-1.0	-50.53	374.93	5.36	-45.17
CSCC[C@H](NC(=O)C1=C(F)C=CC=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL300020167449	0	35	-1.0	-56.11	332.35	4.88	-51.23
CSCC[C@H](NC(=O)C1=C(F)C=CC=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL300020167449	1	35	-1.0	-56.12	332.41	4.89	-51.23
COC(=O)C1=CC=C(CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=N1	REAL300020167450	0	41	-1.0	-50.05	372.82	3.60	-46.45
COC(=O)C1=CC=C(CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=N1	REAL300020167450	1	41	-1.0	-50.02	372.77	3.59	-46.43
CSCC[C@H](NC(=O)C1=NC=CC=C1NC(C)=O)C1=NN=N[N-]1	REAL300020167451	0	39	-1.0	-44.77	345.55	1.74	-43.03
CSCC[C@H](NC(=O)C1=NC=CC=C1NC(C)=O)C1=N[N-]N=N1	REAL300020167451	1	39	-1.0	-44.73	345.50	1.73	-43.00
CSCC[C@H](NC(=O)C1=CC=CC=C1CC#N)C1=N[N-]N=N1	REAL300020167452	0	37	-1.0	-48.62	332.52	5.12	-43.50
CSCC[C@H](NC(=O)C1=CC=CC=C1CC#N)C1=NN=N[N-]1	REAL300020167452	1	37	-1.0	-48.60	332.58	5.13	-43.47
CSCC[C@H](NC(=O)C1=CC=NC=C1N1CCOCC1)C1=NN=N[N-]1	REAL300020167453	0	45	-1.0	-46.66	378.31	2.34	-44.32
CSCC[C@H](NC(=O)C1=CC=NC=C1N1CCOCC1)C1=N[N-]N=N1	REAL300020167453	1	45	-1.0	-46.68	378.26	2.33	-44.35
CSCC[C@H](NC(=O)C1=CC(Br)=CC(F)=C1[O-])C1=N[N-]N=N1	REAL300020167454	0	33	-2.0	-105.68	330.31	4.31	-101.37
CSCC[C@H](NC(=O)C1=CC(Br)=CC(F)=C1[O-])C1=NN=N[N-]1	REAL300020167454	1	33	-2.0	-105.65	330.37	4.32	-101.33
CSCC[C@H](NC(=O)C1=CON=C1C1CCCC1)C1=N[N-]N=N1	REAL300020167455	0	42	-1.0	-46.42	359.49	4.69	-41.73
CSCC[C@H](NC(=O)C1=CON=C1C1CCCC1)C1=NN=N[N-]1	REAL300020167455	1	42	-1.0	-46.41	359.55	4.71	-41.70
CCN1N=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1C	REAL300020167456	0	39	-1.0	-47.15	339.92	3.18	-43.97
CCN1N=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1C	REAL300020167456	1	39	-1.0	-47.11	339.98	3.20	-43.91
COC1CCN(CC2=CN(C)N=C2C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C1	REAL300020167457	0	52	-1.0	-58.60	435.54	1.39	-57.21
COC1CCN(CC2=CN(C)N=C2C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C1	REAL300020167457	1	52	-1.0	-58.58	435.60	1.41	-57.17
COC1CC[N@H+](CC2=CN(C)N=C2C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C1	REAL300020167457	1	53	0.0	-51.54	439.01	4.10	-47.44
COC1CC[N@@H+](CC2=CN(C)N=C2C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C1	REAL300020167457	1	53	0.0	-57.31	439.18	4.10	-53.21
CSCC[C@H](NC(=O)C1=NN(C)C=C1CN1CCC(O)C1)C1=N[N-]N=N1	REAL300020167458	0	49	-1.0	-58.89	413.60	-0.98	-59.87
CSCC[C@H](NC(=O)C1=NN(C)C=C1CN1CCC(O)C1)C1=NN=N[N-]1	REAL300020167458	1	49	-1.0	-58.91	413.65	-0.96	-59.87
CSCC[C@H](NC(=O)C1=NN(C)C=C1C[N@@H+]1CCC(O)C1)C1=NN=N[N-]1	REAL300020167458	1	50	0.0	-58.28	417.06	1.72	-56.56
CSCC[C@H](NC(=O)C1=NN(C)C=C1C[N@H+]1CCC(O)C1)C1=NN=N[N-]1	REAL300020167458	1	50	0.0	-57.99	417.23	1.75	-56.24
CSCC[C@H](NC(=O)C1CC(=O)N(C2CN(C)C2)C1)C1=N[N-]N=N1	REAL300020167459	0	46	-1.0	-44.10	382.22	0.03	-44.07
CSCC[C@H](NC(=O)C1CC(=O)N(C2CN(C)C2)C1)C1=NN=N[N-]1	REAL300020167459	1	46	-1.0	-44.07	382.28	0.04	-44.03
CSCC[C@H](NC(=O)C1=C(Br)N(C(C)C)N=C1)C1=NN=N[N-]1	REAL300020167460	0	39	-1.0	-45.64	362.09	3.85	-41.79
CSCC[C@H](NC(=O)C1=C(Br)N(C(C)C)N=C1)C1=N[N-]N=N1	REAL300020167460	1	39	-1.0	-45.65	362.03	3.83	-41.82
CSCC[C@H](NC(=O)C(C)CC(=O)C1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL300020167461	0	44	-1.0	-43.92	385.50	6.07	-37.85
CSCC[C@H](NC(=O)C(C)CC(=O)C1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL300020167461	1	44	-1.0	-43.94	385.56	6.09	-37.85
CSCC[C@H](NC(=O)CCC1C(C)NC2=CC=NN2C1C)C1=NN=N[N-]1	REAL300020167462	0	51	-1.0	-54.94	411.25	4.18	-50.76
CSCC[C@H](NC(=O)CCC1C(C)NC2=CC=NN2C1C)C1=N[N-]N=N1	REAL300020167462	1	51	-1.0	-54.92	411.19	4.16	-50.76
CSCC[C@H](NC(=O)C1=CC=C([O-])C(F)=C1F)C1=N[N-]N=N1	REAL300020167463	0	33	-2.0	-93.56	315.57	2.17	-91.39
CSCC[C@H](NC(=O)C1=CC=C([O-])C(F)=C1F)C1=NN=N[N-]1	REAL300020167463	1	33	-2.0	-93.56	315.63	2.19	-91.37
CSCC[C@H](NC(=O)[C@]12CC[C@H](CC1=O)C2(C)C)C1=N[N-]N=N1	REAL300020167464	0	45	-1.0	-55.03	360.48	4.43	-50.60
CSCC[C@H](NC(=O)[C@]12CC[C@H](CC1=O)C2(C)C)C1=NN=N[N-]1	REAL300020167464	1	45	-1.0	-55.01	360.54	4.45	-50.56
CSCC[C@H](NC(=O)C1=CN=C(SC)NC1=O)C1=N[N-]N=N1	REAL300020167465	0	36	-1.0	-51.96	337.70	1.63	-50.33
CSCC[C@H](NC(=O)C1=CN=C(SC)NC1=O)C1=NN=N[N-]1	REAL300020167465	1	36	-1.0	-51.98	337.76	1.65	-50.33
CSCC[C@H](NC(=O)C1=CN=C(SC)[N-]C1=O)C1=N[N-]N=N1	REAL300020167465	1	35	-2.0	-96.23	334.29	0.51	-95.72
CSCC[C@H](NC(=O)C1=CN=C(SC)[N-]C1=O)C1=NN=N[N-]1	REAL300020167465	1	35	-2.0	-96.22	334.35	0.53	-95.69
CSCC[C@H](NC(=O)C(C)(C)C1=CC=CC(O)=C1)C1=N[N-]N=N1	REAL300020167466	0	43	-1.0	-48.97	364.19	2.82	-46.15
CSCC[C@H](NC(=O)C(C)(C)C1=CC=CC(O)=C1)C1=NN=N[N-]1	REAL300020167466	1	43	-1.0	-48.97	364.25	2.84	-46.13
CSCC[C@H](NC(=O)C1(Cl)CC2CCC1O2)C1=N[N-]N=N1	REAL300020167467	0	38	-1.0	-40.26	331.68	2.53	-37.73
CSCC[C@H](NC(=O)C1(Cl)CC2CCC1O2)C1=NN=N[N-]1	REAL300020167467	1	38	-1.0	-40.24	331.73	2.55	-37.69
CSCC[C@H](NC(=O)C1=CNC2=CC=CC(C#N)=C12)C1=NN=N[N-]1	REAL300020167468	0	38	-1.0	-64.36	344.05	4.43	-59.93
CSCC[C@H](NC(=O)C1=CNC2=CC=CC(C#N)=C12)C1=N[N-]N=N1	REAL300020167468	1	38	-1.0	-64.35	343.99	4.42	-59.93
C=CC(=O)NC1=CC=C(O)C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020167469	0	42	-1.0	-49.57	374.59	2.05	-47.52
C=CC(=O)NC1=CC=C(O)C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020167469	1	42	-1.0	-49.58	374.64	2.07	-47.51
CSCC[C@H](NC(=O)CN1C=C(C=O)C(C2=CC=CC=C2)=N1)C1=NN=N[N-]1	REAL300020167470	0	45	-1.0	-53.95	403.87	5.40	-48.55
CSCC[C@H](NC(=O)CN1C=C(C=O)C(C2=CC=CC=C2)=N1)C1=N[N-]N=N1	REAL300020167470	1	45	-1.0	-53.98	403.81	5.39	-48.59
CSCC[C@H](NC(=O)C1=C(C)C=C(C#N)C(=O)[N-]1)C1=N[N-]N=N1	REAL300020167471	0	36	-2.0	-88.02	337.77	1.16	-86.86
CSCC[C@H](NC(=O)C1=C(C)C=C(C#N)C(=O)[N-]1)C1=NN=N[N-]1	REAL300020167471	1	36	-2.0	-88.06	337.83	1.17	-86.89
CSCC[C@H](NC(=O)C(C)(C)CC1=CC=C(O)C=C1)C1=N[N-]N=N1	REAL300020167472	0	46	-1.0	-46.30	384.17	3.55	-42.75
CSCC[C@H](NC(=O)C(C)(C)CC1=CC=C(O)C=C1)C1=NN=N[N-]1	REAL300020167472	1	46	-1.0	-46.36	384.22	3.56	-42.80
CSCC[C@H](NC(=O)C1(CC2=CC=C(O)C=C2)CC1)C1=N[N-]N=N1	REAL300020167473	0	44	-1.0	-49.78	383.32	3.82	-45.96
CSCC[C@H](NC(=O)C1(CC2=CC=C(O)C=C2)CC1)C1=NN=N[N-]1	REAL300020167473	1	44	-1.0	-49.74	383.38	3.84	-45.90
CSCC[C@H](NC(=O)C1(C2=CC=CC=C2)CC1Br)C1=N[N-]N=N1	REAL300020167474	0	40	-1.0	-47.82	372.36	6.48	-41.34
CSCC[C@H](NC(=O)C1(C2=CC=CC=C2)CC1Br)C1=NN=N[N-]1	REAL300020167474	1	40	-1.0	-47.82	372.42	6.50	-41.32
CSCC[C@H](NC(=O)C1CC2(CSC2)C1)C1=N[N-]N=N1	REAL300020167475	0	38	-1.0	-46.39	337.85	4.51	-41.88
CSCC[C@H](NC(=O)C1CC2(CSC2)C1)C1=NN=N[N-]1	REAL300020167475	1	38	-1.0	-46.36	337.91	4.52	-41.84
CSCC[C@H](NC(=O)C1=CC=C2C(=C1)N=C(CO)N2C)C1=N[N-]N=N1	REAL300020167476	0	43	-1.0	-58.09	377.45	1.81	-56.28
CSCC[C@H](NC(=O)C1=CC=C2C(=C1)N=C(CO)N2C)C1=NN=N[N-]1	REAL300020167476	1	43	-1.0	-58.08	377.51	1.83	-56.25
CSCC[C@H](NC(=O)C1=CC2=CC(O)=CC=C2N=C1C)C1=N[N-]N=N1	REAL300020167477	0	42	-1.0	-47.43	366.10	2.28	-45.15
CSCC[C@H](NC(=O)C1=CC2=CC(O)=CC=C2N=C1C)C1=NN=N[N-]1	REAL300020167477	1	42	-1.0	-47.44	366.16	2.29	-45.15
CSCC[C@H](NC(=O)[C@H]1[C@@H](O)C(=O)N(C)[C@@H]1C1=CN(C)N=C1)C1=NN=N[N-]1	REAL300020167478	0	48	-1.0	-48.15	412.22	1.21	-46.94
CSCC[C@H](NC(=O)[C@H]1[C@@H](O)C(=O)N(C)[C@@H]1C1=CN(C)N=C1)C1=N[N-]N=N1	REAL300020167478	1	48	-1.0	-48.18	412.16	1.20	-46.98
CSCC[C@H](NC(=O)C(CCCO)C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020167479	0	46	-1.0	-49.02	392.75	3.37	-45.65
CSCC[C@H](NC(=O)C(CCCO)C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020167479	1	46	-1.0	-48.99	392.80	3.39	-45.60
COC1=CC=C(CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1O	REAL300020167480	0	41	-1.0	-49.73	362.42	1.90	-47.83
COC1=CC=C(CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1O	REAL300020167480	1	41	-1.0	-49.73	362.48	1.91	-47.82
CSCC[C@H](NC(=O)C1=CC(C(=O)OC(C)(C)C)=NN1C)C1=NN=N[N-]1	REAL300020167481	0	48	-1.0	-43.26	409.67	4.42	-38.84
CSCC[C@H](NC(=O)C1=CC(C(=O)OC(C)(C)C)=NN1C)C1=N[N-]N=N1	REAL300020167481	1	48	-1.0	-43.25	409.61	4.41	-38.84
CSCC[C@H](NC(=O)C(O)C(C)C1=CC=CC=C1F)C1=N[N-]N=N1	REAL300020167482	0	43	-1.0	-44.60	370.42	3.12	-41.48
CSCC[C@H](NC(=O)C(O)C(C)C1=CC=CC=C1F)C1=NN=N[N-]1	REAL300020167482	1	43	-1.0	-44.57	370.48	3.12	-41.45
CSCC[C@H](NC(=O)C1=C(C(F)F)N=CS1)C1=N[N-]N=N1	REAL300020167483	0	32	-1.0	-45.43	313.22	2.20	-43.23
CSCC[C@H](NC(=O)C1=C(C(F)F)N=CS1)C1=NN=N[N-]1	REAL300020167483	1	32	-1.0	-45.37	313.28	2.21	-43.16
CSCC[C@H](NC(=O)C1=CC=C(N=S(C)(C)=O)C=C1)C1=N[N-]N=N1	REAL300020167484	0	43	-1.0	-64.15	378.43	2.51	-61.64
CSCC[C@H](NC(=O)C1=CC=C(N=S(C)(C)=O)C=C1)C1=NN=N[N-]1	REAL300020167484	1	43	-1.0	-64.16	378.49	2.53	-61.63
CSCC[C@H](NC(=O)C1=NC(C(C)(C)C)=CS1)C1=NN=N[N-]1	REAL300020167485	0	41	-1.0	-49.25	365.51	3.74	-45.51
CSCC[C@H](NC(=O)C1=NC(C(C)(C)C)=CS1)C1=N[N-]N=N1	REAL300020167485	1	41	-1.0	-49.19	365.45	3.73	-45.46
CSCC[C@H](NC(=O)C1=CC2=C(C3CC3)C=CC=C2N1)C1=N[N-]N=N1	REAL300020167486	0	44	-1.0	-46.70	380.13	6.08	-40.62
CSCC[C@H](NC(=O)C1=CC2=C(C3CC3)C=CC=C2N1)C1=NN=N[N-]1	REAL300020167486	1	44	-1.0	-46.65	380.19	6.10	-40.55
CSCC[C@H](NC(=O)C1=CN(CC2CC2)N=C1)C1=NN=N[N-]1	REAL300020167487	0	40	-1.0	-47.07	355.44	4.28	-42.79
CSCC[C@H](NC(=O)C1=CN(CC2CC2)N=C1)C1=N[N-]N=N1	REAL300020167487	1	40	-1.0	-47.05	355.38	4.26	-42.79
CSCC[C@H](NC(=O)CC1=C(C)NC(=O)NC1=O)C1=N[N-]N=N1	REAL300020167488	0	39	-1.0	-49.36	347.99	-0.60	-49.96
CSCC[C@H](NC(=O)CC1=C(C)NC(=O)NC1=O)C1=NN=N[N-]1	REAL300020167488	1	39	-1.0	-49.36	348.05	-0.58	-49.94
CSCC[C@H](NC(=O)C1=C(C(C)C)ON=C1)C1=N[N-]N=N1	REAL300020167489	0	38	-1.0	-43.02	335.92	3.73	-39.29
CSCC[C@H](NC(=O)C1=C(C(C)C)ON=C1)C1=NN=N[N-]1	REAL300020167489	1	38	-1.0	-43.05	335.97	3.74	-39.31
CSCC[C@H](NC(=O)CC1C(=O)NC2=CC=C(F)C=C21)C1=N[N-]N=N1	REAL300020167490	0	41	-1.0	-51.32	365.82	4.49	-46.83
CSCC[C@H](NC(=O)CC1C(=O)NC2=CC=C(F)C=C21)C1=NN=N[N-]1	REAL300020167490	1	41	-1.0	-51.32	365.88	4.51	-46.81
CSCC[C@H](NC(=O)C1=C2N=CNC2=NC=N1)C1=N[N-]N=N1	REAL300020167491	0	34	-1.0	-54.08	315.08	2.97	-51.11
CSCC[C@H](NC(=O)C1=C2N=CNC2=NC=N1)C1=NN=N[N-]1	REAL300020167491	1	34	-1.0	-54.09	315.14	2.98	-51.11
C=CC(C(=O)N[C@@H](CCSC)C1=N[N-]N=N1)C1=CC=CC=C1	REAL300020167492	0	40	-1.0	-48.95	352.92	5.85	-43.10
C=CC(C(=O)N[C@@H](CCSC)C1=NN=N[N-]1)C1=CC=CC=C1	REAL300020167492	1	40	-1.0	-48.94	352.97	5.87	-43.07
CSCC[C@H](NC(=O)C1=CC=C(C2=CC=C(C=O)O2)C=C1[O-])C1=N[N-]N=N1	REAL300020167493	0	42	-2.0	-130.01	386.37	5.76	-124.25
CSCC[C@H](NC(=O)C1=CC=C(C2=CC=C(C=O)O2)C=C1[O-])C1=NN=N[N-]1	REAL300020167493	1	42	-2.0	-129.99	386.42	5.77	-124.22
CSCC[C@H](NC(=O)C1=CC=C(C2=CC=C(C=O)O2)C=C1O)C1=NN=N[N-]1	REAL300020167493	1	43	-1.0	-59.13	389.98	4.76	-54.37
CSCC[C@H](NC(=O)C1=CC=C(C2=CC=C(C=O)O2)C=C1O)C1=N[N-]N=N1	REAL300020167493	1	43	-1.0	-59.11	389.93	4.75	-54.36
CCC(O)CN1C=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)N=N1	REAL300020167494	0	42	-1.0	-50.55	373.35	-0.48	-51.03
CCC(O)CN1C=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)N=N1	REAL300020167494	1	42	-1.0	-50.55	373.30	-0.49	-51.04
CSCC[C@H](NC(=O)C(=O)C1=CNC2=CC(F)=CC=C12)C1=N[N-]N=N1	REAL300020167495	0	39	-1.0	-42.31	356.98	4.03	-38.28
CSCC[C@H](NC(=O)C(=O)C1=CNC2=CC(F)=CC=C12)C1=NN=N[N-]1	REAL300020167495	1	39	-1.0	-42.31	357.04	4.05	-38.26
CSCC[C@H](NC(=O)C1=CC(S(=O)(=O)CC#N)=CC=C1F)C1=N[N-]N=N1	REAL300020167496	0	40	-1.0	-57.87	383.55	2.33	-55.54
CSCC[C@H](NC(=O)C1=CC(S(=O)(=O)CC#N)=CC=C1F)C1=NN=N[N-]1	REAL300020167496	1	40	-1.0	-57.83	383.60	2.34	-55.49
CSCC[C@H](NC(=O)C1=CC=CC=C1N=S(C)(C)=O)C1=N[N-]N=N1	REAL300020167497	0	43	-1.0	-64.19	376.69	2.69	-61.50
CSCC[C@H](NC(=O)C1=CC=CC=C1N=S(C)(C)=O)C1=NN=N[N-]1	REAL300020167497	1	43	-1.0	-64.18	376.74	2.71	-61.47
CSCC[C@H](NC(=O)CC1=NC(C2CC2)=CS1)C1=N[N-]N=N1	REAL300020167498	0	39	-1.0	-51.05	357.79	3.93	-47.12
CSCC[C@H](NC(=O)CC1=NC(C2CC2)=CS1)C1=NN=N[N-]1	REAL300020167498	1	39	-1.0	-51.05	357.85	3.96	-47.09
CSCC[C@H](NC(=O)C1CCCN2N=CN=C12)C1=N[N-]N=N1	REAL300020167499	0	39	-1.0	-45.43	336.17	4.29	-41.14
CSCC[C@H](NC(=O)C1CCCN2N=CN=C12)C1=NN=N[N-]1	REAL300020167499	1	39	-1.0	-45.44	336.23	4.31	-41.13
CCCCCCC(O)CCC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020167500	0	51	-1.0	-44.54	422.21	3.98	-40.56
CCCCCCC(O)CCC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020167500	1	51	-1.0	-44.55	422.27	4.00	-40.55
CSCC[C@H](NC(=O)C1=CC=CN2N=CN=C12)C1=NN=N[N-]1	REAL300020167501	0	35	-1.0	-51.35	318.68	5.10	-46.25
CSCC[C@H](NC(=O)C1=CC=CN2N=CN=C12)C1=N[N-]N=N1	REAL300020167501	1	35	-1.0	-51.34	318.62	5.09	-46.25
COC1=CN=NC(OC)=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020167502	0	39	-1.0	-48.55	352.77	-1.22	-49.77
COC1=CN=NC(OC)=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020167502	1	39	-1.0	-48.62	352.71	-1.23	-49.85
CSCC[C@H](NC(=O)CS(=O)C1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL300020167503	0	38	-1.0	-59.46	369.39	3.34	-56.12
CSCC[C@H](NC(=O)CS(=O)C1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL300020167503	1	38	-1.0	-59.43	369.45	3.36	-56.07
CSCC[C@H](NC(=O)C1=CC(Br)=CC=C1C1CC1)C1=N[N-]N=N1	REAL300020167504	0	40	-1.0	-44.69	362.67	6.76	-37.93
CSCC[C@H](NC(=O)C1=CC(Br)=CC=C1C1CC1)C1=NN=N[N-]1	REAL300020167504	1	40	-1.0	-44.67	362.73	6.78	-37.89
CSCC[C@H](NC(=O)C1C2=CNN=C2CCC1C)C1=N[N-]N=N1	REAL300020167505	0	43	-1.0	-47.96	355.60	3.24	-44.72
CSCC[C@H](NC(=O)C1C2=CNN=C2CCC1C)C1=NN=N[N-]1	REAL300020167505	1	43	-1.0	-47.91	355.66	3.26	-44.65
CSCC[C@H](NC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)C1=N[N-]N=N1	REAL300020167506	0	41	-1.0	-49.51	338.01	3.93	-45.58
CSCC[C@H](NC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)C1=NN=N[N-]1	REAL300020167506	1	41	-1.0	-49.58	338.07	3.94	-45.64
CSCC[C@H](NC(=O)C1=CN=C(CC2CC2)S1)C1=N[N-]N=N1	REAL300020167507	0	39	-1.0	-44.96	358.97	4.26	-40.70
CSCC[C@H](NC(=O)C1=CN=C(CC2CC2)S1)C1=NN=N[N-]1	REAL300020167507	1	39	-1.0	-44.98	359.03	4.28	-40.70
CSCC[C@H](NC(=O)C1=C(Cl)C2=C(F)C=CC=C2S1)C1=N[N-]N=N1	REAL300020167508	0	36	-1.0	-49.87	353.52	6.00	-43.87
CSCC[C@H](NC(=O)C1=C(Cl)C2=C(F)C=CC=C2S1)C1=NN=N[N-]1	REAL300020167508	1	36	-1.0	-49.85	353.58	6.01	-43.84
CSCC[C@H](NC(=O)C1=NC=CN=C1SC)C1=NN=N[N-]1	REAL300020167509	0	35	-1.0	-48.49	328.07	1.77	-46.72
CSCC[C@H](NC(=O)C1=NC=CN=C1SC)C1=N[N-]N=N1	REAL300020167509	1	35	-1.0	-48.48	328.01	1.76	-46.72
CSCC[C@H](NC(=O)CC1=CSC2=C1SC(C)=C2)C1=N[N-]N=N1	REAL300020167510	0	39	-1.0	-49.43	370.93	5.98	-43.45
CSCC[C@H](NC(=O)CC1=CSC2=C1SC(C)=C2)C1=NN=N[N-]1	REAL300020167510	1	39	-1.0	-49.45	370.99	6.00	-43.45
CSCC[C@H](NC(=O)C1=CNC=C1C1CC1)C1=N[N-]N=N1	REAL300020167511	0	38	-1.0	-53.09	333.19	4.08	-49.01
CSCC[C@H](NC(=O)C1=CNC=C1C1CC1)C1=NN=N[N-]1	REAL300020167511	1	38	-1.0	-53.09	333.25	4.09	-49.00
CSCC[C@H](NC(=O)C1=C2CSCCC2=NN1C)C1=N[N-]N=N1	REAL300020167512	0	41	-1.0	-47.31	366.73	3.80	-43.51
CSCC[C@H](NC(=O)C1=C2CSCCC2=NN1C)C1=NN=N[N-]1	REAL300020167512	1	41	-1.0	-47.30	366.79	3.82	-43.48
CSCC[C@H](NC(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCCO2)C1=N[N-]N=N1	REAL300020167513	0	44	-1.0	-47.56	387.00	5.37	-42.19
CSCC[C@H](NC(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCCO2)C1=NN=N[N-]1	REAL300020167513	1	44	-1.0	-47.55	387.06	5.39	-42.16
CSCC[C@H](NC(=O)C1=CC(C)=CC=C1NC1CC1)C1=N[N-]N=N1	REAL300020167514	0	45	-1.0	-46.86	379.52	5.60	-41.26
CSCC[C@H](NC(=O)C1=CC(C)=CC=C1NC1CC1)C1=NN=N[N-]1	REAL300020167514	1	45	-1.0	-46.85	379.58	5.61	-41.24
CCCCNC1=NC(CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CS1	REAL300020167515	0	46	-1.0	-49.33	406.99	4.20	-45.13
CCCCNC1=NC(CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CS1	REAL300020167515	1	46	-1.0	-49.33	407.05	4.21	-45.12
CSCC[C@H](NC(=O)CC1=CSC(NC2(C)CCCC2)=N1)C1=N[N-]N=N1	REAL300020167516	0	50	-1.0	-50.75	419.19	4.65	-46.10
CSCC[C@H](NC(=O)CC1=CSC(NC2(C)CCCC2)=N1)C1=NN=N[N-]1	REAL300020167516	1	50	-1.0	-50.76	419.25	4.66	-46.10
CNC1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)N=C1	REAL300020167517	0	37	-1.0	-48.97	329.76	1.17	-47.80
CNC1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)N=C1	REAL300020167517	1	37	-1.0	-48.96	329.70	1.16	-47.80
CSCC[C@H](NC(=O)CCCC(=O)C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020167518	0	44	-1.0	-56.41	385.28	6.17	-50.24
CSCC[C@H](NC(=O)CCCC(=O)C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020167518	1	44	-1.0	-56.43	385.34	6.19	-50.24
CSCC[C@H](NC(=O)C1=CC2=CC(F)=CC=C2NC1=O)C1=N[N-]N=N1	REAL300020167519	0	39	-1.0	-52.34	353.21	3.49	-48.85
CSCC[C@H](NC(=O)C1=CC2=CC(F)=CC=C2NC1=O)C1=NN=N[N-]1	REAL300020167519	1	39	-1.0	-52.30	353.27	3.51	-48.79
CSCC[C@H](NC(=O)C1=CC=C(CN2CCOCC2)O1)C1=N[N-]N=N1	REAL300020167520	0	46	-1.0	-46.90	391.66	1.42	-45.48
CSCC[C@H](NC(=O)C1=CC=C(CN2CCOCC2)O1)C1=NN=N[N-]1	REAL300020167520	1	46	-1.0	-46.88	391.71	1.44	-45.44
CSCC[C@H](NC(=O)CC1CCN(C)C1=O)C1=N[N-]N=N1	REAL300020167521	0	40	-1.0	-57.56	343.16	3.67	-53.89
CSCC[C@H](NC(=O)CC1CCN(C)C1=O)C1=NN=N[N-]1	REAL300020167521	1	40	-1.0	-57.52	343.21	3.69	-53.83
CSCC[C@H](NC(=O)C1=CN(CC2CNC(=O)O2)N=N1)C1=NN=N[N-]1	REAL300020167522	0	41	-1.0	-61.72	373.56	-1.62	-63.34
CSCC[C@H](NC(=O)C1=CN(CC2CNC(=O)O2)N=N1)C1=N[N-]N=N1	REAL300020167522	1	41	-1.0	-61.69	373.50	-1.64	-63.33
CCC1CCCC1(C)C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020167523	0	45	-1.0	-46.92	357.17	5.38	-41.54
CCC1CCCC1(C)C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020167523	1	45	-1.0	-46.92	357.23	5.39	-41.53
CSCC[C@H](NC(=O)[C@]1(C2=CC=CC=C2)C[C@@H](F)C1)C1=N[N-]N=N1	REAL300020167524	0	43	-1.0	-46.74	372.16	6.46	-40.28
CSCC[C@H](NC(=O)[C@]1(C2=CC=CC=C2)C[C@@H](F)C1)C1=NN=N[N-]1	REAL300020167524	1	43	-1.0	-46.70	372.21	6.48	-40.22
CSCC[C@H](NC(=O)C1(C2=CC=CN=C2)CC2(CCC2)C1)C1=N[N-]N=N1	REAL300020167525	0	49	-1.0	-47.44	406.57	6.30	-41.14
CSCC[C@H](NC(=O)C1(C2=CC=CN=C2)CC2(CCC2)C1)C1=NN=N[N-]1	REAL300020167525	1	49	-1.0	-47.40	406.62	6.31	-41.09
CSCC[C@H](NC(=O)C1=CC=C(OC2=CC(C)=CC=N2)C=C1)C1=N[N-]N=N1	REAL300020167526	0	46	-1.0	-48.82	405.41	5.15	-43.67
CSCC[C@H](NC(=O)C1=CC=C(OC2=CC(C)=CC=N2)C=C1)C1=NN=N[N-]1	REAL300020167526	1	46	-1.0	-48.81	405.46	5.16	-43.65
CSCC[C@H](NC(=O)C1=CSC(C2=NC=CN2)=N1)C1=N[N-]N=N1	REAL300020167527	0	36	-1.0	-53.66	346.56	1.62	-52.04
CSCC[C@H](NC(=O)C1=CSC(C2=NC=CN2)=N1)C1=NN=N[N-]1	REAL300020167527	1	36	-1.0	-53.68	346.62	1.64	-52.04
CSCC[C@H](NC(=O)C1=C(C2CC2)SC=N1)C1=NN=N[N-]1	REAL300020167528	0	36	-1.0	-48.13	332.02	3.39	-44.74
CSCC[C@H](NC(=O)C1=C(C2CC2)SC=N1)C1=N[N-]N=N1	REAL300020167528	1	36	-1.0	-48.11	331.96	3.38	-44.73
CSCC[C@H](NC(=O)C1=C(C2CCOCC2)ON=C1)C1=N[N-]N=N1	REAL300020169936	0	43	-1.0	-42.88	368.49	3.24	-39.64
CSCC[C@H](NC(=O)C1=C(C2CCOCC2)ON=C1)C1=NN=N[N-]1	REAL300020169936	1	43	-1.0	-42.82	368.54	3.25	-39.57
CSCC[C@H](NC(=O)C1=CC=C(OCC[NH+](C)C)C=C1)C1=N[N-]N=N1	REAL300020169937	0	49	0.0	-73.07	405.68	5.79	-67.28
CSCC[C@H](NC(=O)C1=CC=C(OCC[NH+](C)C)C=C1)C1=NN=N[N-]1	REAL300020169937	1	49	0.0	-73.10	405.74	5.80	-67.30
CSCC[C@H](NC(=O)C1=CC=CC(P(C)(C)=O)=C1)C1=N[N-]N=N1	REAL300020169938	0	42	-1.0	-56.04	377.58	3.65	-52.39
CSCC[C@H](NC(=O)C1=CC=CC(P(C)(C)=O)=C1)C1=NN=N[N-]1	REAL300020169938	1	42	-1.0	-56.06	377.64	3.67	-52.39
COCC1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)N1	REAL300020169939	0	38	-1.0	-47.31	339.10	1.58	-45.73
COCC1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)N1	REAL300020169939	1	38	-1.0	-47.29	339.16	1.59	-45.70
CSCC[C@H](NC(=O)C1=CC=CC(N=S2(=O)CCCC2)=C1)C1=N[N-]N=N1	REAL300020169940	0	47	-1.0	-61.87	403.12	3.93	-57.94
CSCC[C@H](NC(=O)C1=CC=CC(N=S2(=O)CCCC2)=C1)C1=NN=N[N-]1	REAL300020169940	1	47	-1.0	-61.85	403.17	3.94	-57.91
CSCC[C@H](NC(=O)C1CCCC2=C1N=CN2C)C1=N[N-]N=N1	REAL300020169941	0	43	-1.0	-51.06	361.57	5.90	-45.16
CSCC[C@H](NC(=O)C1CCCC2=C1N=CN2C)C1=NN=N[N-]1	REAL300020169941	1	43	-1.0	-51.09	361.63	5.92	-45.17
CN=S(C)(=O)C1=CC=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020169942	0	43	-1.0	-54.37	385.67	1.50	-52.87
CN=S(C)(=O)C1=CC=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020169942	1	43	-1.0	-54.37	385.73	1.52	-52.85
CSCC[C@H](NC(=O)CCCONC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300020169943	0	50	-1.0	-54.63	423.53	2.95	-51.68
CSCC[C@H](NC(=O)CCCONC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300020169943	1	50	-1.0	-54.60	423.59	2.96	-51.64
CSCC[C@H](NC(=O)C1=NOC(COC2=CC=CC=C2)=C1)C1=N[N-]N=N1	REAL300020169944	0	43	-1.0	-47.47	388.05	4.79	-42.68
CSCC[C@H](NC(=O)C1=NOC(COC2=CC=CC=C2)=C1)C1=NN=N[N-]1	REAL300020169944	1	43	-1.0	-47.45	388.10	4.81	-42.64
CSCC[C@H](NC(=O)C1=C(C)N(C(C)C(C)C)N=C1)C1=N[N-]N=N1	REAL300020169945	0	48	-1.0	-47.20	398.04	5.30	-41.90
CSCC[C@H](NC(=O)C1=C(C)N(C(C)C(C)C)N=C1)C1=NN=N[N-]1	REAL300020169945	1	48	-1.0	-47.21	398.09	5.31	-41.90
CCCSC1=CC=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020169946	0	43	-1.0	-48.93	380.68	6.75	-42.18
CCCSC1=CC=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020169946	1	43	-1.0	-48.93	380.73	6.76	-42.17
COC1=CC=C2C(=C1)CCCC2C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020169947	0	47	-1.0	-48.85	388.81	5.84	-43.01
COC1=CC=C2C(=C1)CCCC2C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020169947	1	47	-1.0	-48.90	388.87	5.86	-43.04
COC1=CC=C(Cl)C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=N1	REAL300020169948	0	36	-1.0	-45.72	339.52	1.47	-44.25
COC1=CC=C(Cl)C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=N1	REAL300020169948	1	36	-1.0	-45.72	339.46	1.46	-44.26
CSCC[C@H](NC(=O)CC1=CC(C)=NN1C)C1=N[N-]N=N1	REAL300020169949	0	39	-1.0	-50.93	344.35	2.85	-48.08
CSCC[C@H](NC(=O)CC1=CC(C)=NN1C)C1=NN=N[N-]1	REAL300020169949	1	39	-1.0	-50.90	344.41	2.86	-48.04
CSCC[C@H](NC(=O)C1=CC=C(C2=CC=CC(Cl)=C2)C=N1)C1=NN=N[N-]1	REAL300020169950	0	42	-1.0	-46.90	385.87	6.31	-40.59
CSCC[C@H](NC(=O)C1=CC=C(C2=CC=CC(Cl)=C2)C=N1)C1=N[N-]N=N1	REAL300020169950	1	42	-1.0	-46.96	385.82	6.30	-40.66
CCCCSC1=CC=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020169951	0	46	-1.0	-48.91	402.18	7.53	-41.38
CCCCSC1=CC=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020169951	1	46	-1.0	-48.91	402.23	7.54	-41.37
CSCC[C@H](NC(=O)C1CCC2=NC=NC(C)=C2C1)C1=N[N-]N=N1	REAL300020169952	0	44	-1.0	-45.67	369.17	4.98	-40.69
CSCC[C@H](NC(=O)C1CCC2=NC=NC(C)=C2C1)C1=NN=N[N-]1	REAL300020169952	1	44	-1.0	-45.62	369.22	5.00	-40.62
CSCC[C@H](NC(=O)C(O)C1=CC=C(Cl)C=C1Cl)C1=N[N-]N=N1	REAL300020169953	0	37	-1.0	-44.27	353.80	3.93	-40.34
CSCC[C@H](NC(=O)C(O)C1=CC=C(Cl)C=C1Cl)C1=NN=N[N-]1	REAL300020169953	1	37	-1.0	-44.27	353.86	3.94	-40.33
CSCC[C@H](NC(=O)CCC(=O)N(C)C(C)C)C1=N[N-]N=N1	REAL300020169954	0	45	-1.0	-45.91	377.53	3.56	-42.35
CSCC[C@H](NC(=O)CCC(=O)N(C)C(C)C)C1=NN=N[N-]1	REAL300020169954	1	45	-1.0	-45.93	377.59	3.58	-42.35
CSCC[C@H](NC(=O)CN1C(=O)C(C)C(C)C1=O)C1=N[N-]N=N1	REAL300020169955	0	42	-1.0	-53.08	363.41	2.85	-50.23
CSCC[C@H](NC(=O)CN1C(=O)C(C)C(C)C1=O)C1=NN=N[N-]1	REAL300020169955	1	42	-1.0	-53.13	363.47	2.86	-50.27
CSCC[C@H](NC(=O)C1=COC2=CC=C(Br)C=C12)C1=N[N-]N=N1	REAL300020169956	0	36	-1.0	-50.24	347.51	5.04	-45.20
CSCC[C@H](NC(=O)C1=COC2=CC=C(Br)C=C12)C1=NN=N[N-]1	REAL300020169956	1	36	-1.0	-50.23	347.57	5.05	-45.18
CSCC[C@H](NC(=O)C1CCC(OC(F)(F)F)CC1)C1=N[N-]N=N1	REAL300020169957	0	43	-1.0	-44.59	371.73	3.81	-40.78
CSCC[C@H](NC(=O)C1CCC(OC(F)(F)F)CC1)C1=NN=N[N-]1	REAL300020169957	1	43	-1.0	-44.67	371.78	3.83	-40.84
CSCC[C@H](NC(=O)CC1=CSC(Cl)=C1)C1=N[N-]N=N1	REAL300020169958	0	33	-1.0	-46.32	329.18	4.31	-42.01
CSCC[C@H](NC(=O)CC1=CSC(Cl)=C1)C1=NN=N[N-]1	REAL300020169958	1	33	-1.0	-46.30	329.24	4.33	-41.97
CSCC[C@H](NC(=O)C(C)CC1=CC=C(Cl)C(Cl)=C1)C1=N[N-]N=N1	REAL300020169959	0	42	-1.0	-43.38	390.89	7.00	-36.38
CSCC[C@H](NC(=O)C(C)CC1=CC=C(Cl)C(Cl)=C1)C1=NN=N[N-]1	REAL300020169959	1	42	-1.0	-43.37	390.95	7.02	-36.35
CSCC[C@H](NC(=O)C1=CC2=CC=C(Br)C=C2O1)C1=N[N-]N=N1	REAL300020169960	0	36	-1.0	-42.96	350.02	5.08	-37.88
CSCC[C@H](NC(=O)C1=CC2=CC=C(Br)C=C2O1)C1=NN=N[N-]1	REAL300020169960	1	36	-1.0	-42.96	350.08	5.10	-37.86
CSCC[C@H](NC(=O)C12CCC(F)(CC1)C2)C1=N[N-]N=N1	REAL300020169961	0	40	-1.0	-46.61	337.54	4.64	-41.97
CSCC[C@H](NC(=O)C12CCC(F)(CC1)C2)C1=NN=N[N-]1	REAL300020169961	1	40	-1.0	-46.63	337.59	4.65	-41.98
CSCC[C@H](NC(=O)C1=CC(F)=CC=C1OC(C)C)C1=N[N-]N=N1	REAL300020169962	0	43	-1.0	-49.55	371.05	6.22	-43.33
CSCC[C@H](NC(=O)C1=CC(F)=CC=C1OC(C)C)C1=NN=N[N-]1	REAL300020169962	1	43	-1.0	-49.56	371.10	6.24	-43.32
COC1=NC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C(C(F)F)=N1	REAL300020169963	0	38	-1.0	-47.39	345.62	-0.30	-47.69
COC1=NC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C(C(F)F)=N1	REAL300020169963	1	38	-1.0	-47.36	345.67	-0.28	-47.64
CSCC[C@H](NC(=O)CC(C)CC(F)(F)F)C1=N[N-]N=N1	REAL300020169964	0	38	-1.0	-47.49	334.64	4.11	-43.38
CSCC[C@H](NC(=O)CC(C)CC(F)(F)F)C1=NN=N[N-]1	REAL300020169964	1	38	-1.0	-47.47	334.70	4.12	-43.35
CSCC[C@H](NC(=O)C1CC12CC(C)(C)C2)C1=N[N-]N=N1	REAL300020169965	0	43	-1.0	-46.66	358.50	5.58	-41.08
CSCC[C@H](NC(=O)C1CC12CC(C)(C)C2)C1=NN=N[N-]1	REAL300020169965	1	43	-1.0	-46.68	358.55	5.60	-41.08
CSCC[C@H](NC(=O)CC1CCC2(CCCC2)CC1)C1=N[N-]N=N1	REAL300020169966	0	52	-1.0	-45.66	399.93	7.18	-38.48
CSCC[C@H](NC(=O)CC1CCC2(CCCC2)CC1)C1=NN=N[N-]1	REAL300020169966	1	52	-1.0	-45.65	399.99	7.19	-38.46
COC1=CC=C(N2CCCCC2)C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020169967	0	52	-1.0	-49.77	421.70	6.01	-43.76
COC1=CC=C(N2CCCCC2)C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020169967	1	52	-1.0	-49.83	421.75	6.02	-43.81
CSCC[C@H](NC(=O)C1CCCC12CCC2)C1=N[N-]N=N1	REAL300020169968	0	43	-1.0	-45.74	348.53	5.38	-40.36
CSCC[C@H](NC(=O)C1CCCC12CCC2)C1=NN=N[N-]1	REAL300020169968	1	43	-1.0	-45.72	348.58	5.40	-40.32
CSCC[C@H](NC(=O)C1=CC=CC2=C1OCC2C)C1=N[N-]N=N1	REAL300020169969	0	41	-1.0	-53.44	353.30	5.47	-47.97
CSCC[C@H](NC(=O)C1=CC=CC2=C1OCC2C)C1=NN=N[N-]1	REAL300020169969	1	41	-1.0	-53.42	353.35	5.49	-47.93
CSCC[C@H](NC(=O)C1=CC=C(C2=CC=CC=N2)S1)C1=NN=N[N-]1	REAL300020169970	0	39	-1.0	-47.60	364.86	5.14	-42.46
CSCC[C@H](NC(=O)C1=CC=C(C2=CC=CC=N2)S1)C1=N[N-]N=N1	REAL300020169970	1	39	-1.0	-47.64	364.80	5.12	-42.52
CSCC[C@H](NC(=O)C1=CN=C2CCOCC2=C1)C1=N[N-]N=N1	REAL300020169971	0	40	-1.0	-45.79	346.47	2.34	-43.45
CSCC[C@H](NC(=O)C1=CN=C2CCOCC2=C1)C1=NN=N[N-]1	REAL300020169971	1	40	-1.0	-45.81	346.53	2.35	-43.46
CSCC[C@H](NC(=O)CC1COCC2=CC=CC=C21)C1=N[N-]N=N1	REAL300020169972	0	44	-1.0	-47.73	367.50	4.62	-43.11
CSCC[C@H](NC(=O)CC1COCC2=CC=CC=C21)C1=NN=N[N-]1	REAL300020169972	1	44	-1.0	-47.72	367.56	4.64	-43.08
C#CC1=CC=C(OCC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020169973	0	39	-1.0	-49.71	358.31	5.83	-43.88
C#CC1=CC=C(OCC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020169973	1	39	-1.0	-49.70	358.37	5.85	-43.85
CSCC[C@H](NC(=O)C1=CC=CC(C2=NC3=CC=CC=C3O2)=C1)C1=NN=N[N-]1	REAL300020169974	0	45	-1.0	-56.31	400.36	4.90	-51.41
CSCC[C@H](NC(=O)C1=CC=CC(C2=NC3=CC=CC=C3O2)=C1)C1=N[N-]N=N1	REAL300020169974	1	45	-1.0	-56.32	400.30	4.88	-51.44
CSCC[C@H](NC(=O)C#CC1=CC=C(Br)C=C1)C1=N[N-]N=N1	REAL300020169975	0	35	-1.0	-44.23	350.61	6.06	-38.17
CSCC[C@H](NC(=O)C#CC1=CC=C(Br)C=C1)C1=NN=N[N-]1	REAL300020169975	1	35	-1.0	-44.26	350.67	6.08	-38.18
CSCC[C@H](NC(=O)C1CC2=NN=C(C)N2C1)C1=N[N-]N=N1	REAL300020169976	0	39	-1.0	-46.96	340.99	4.18	-42.78
CSCC[C@H](NC(=O)C1CC2=NN=C(C)N2C1)C1=NN=N[N-]1	REAL300020169976	1	39	-1.0	-46.94	341.05	4.19	-42.75
CSCC[C@H](NC(=O)CC1CCCCCC1(F)F)C1=N[N-]N=N1	REAL300020169977	0	45	-1.0	-44.26	360.02	5.46	-38.80
CSCC[C@H](NC(=O)CC1CCCCCC1(F)F)C1=NN=N[N-]1	REAL300020169977	1	45	-1.0	-44.30	360.08	5.48	-38.82
COC(=O)C1=CC2=C(C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)NN=C2C=C1	REAL300020169978	0	42	-1.0	-50.88	379.20	3.42	-47.46
COC(=O)C1=CC2=C(C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)NN=C2C=C1	REAL300020169978	1	42	-1.0	-50.86	379.25	3.44	-47.42
C=C1CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)(C(F)F)C1	REAL300020169979	0	37	-1.0	-45.39	329.95	4.50	-40.89
C=C1CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)(C(F)F)C1	REAL300020169979	1	37	-1.0	-45.39	330.01	4.51	-40.88
CSCC[C@H](NC(=O)C1(C2=CC=CC=C2)CC(C)=NO1)C1=N[N-]N=N1	REAL300020169980	0	44	-1.0	-46.18	382.40	4.92	-41.26
CSCC[C@H](NC(=O)C1(C2=CC=CC=C2)CC(C)=NO1)C1=NN=N[N-]1	REAL300020169980	1	44	-1.0	-46.15	382.45	4.94	-41.21
CSCC[C@H](NC(=O)C12CC(C(=O)OC(C)(C)C)(C1)OC2)C1=N[N-]N=N1	REAL300020169981	0	50	-1.0	-45.86	417.95	4.32	-41.54
CSCC[C@H](NC(=O)C12CC(C(=O)OC(C)(C)C)(C1)OC2)C1=NN=N[N-]1	REAL300020169981	1	50	-1.0	-45.87	418.00	4.33	-41.54
COC(=O)CC(C(=O)N[C@@H](CCSC)C1=N[N-]N=N1)N1CCCCC1	REAL300020169982	0	50	-1.0	-43.16	403.79	3.61	-39.55
COC(=O)CC(C(=O)N[C@@H](CCSC)C1=NN=N[N-]1)N1CCCCC1	REAL300020169982	1	50	-1.0	-43.17	403.85	3.62	-39.55
COC(=O)CC(C(=O)N[C@@H](CCSC)C1=NN=N[N-]1)[NH+]1CCCCC1	REAL300020169982	1	51	0.0	-47.90	401.28	5.54	-42.36
CCOC(=O)[C@H]1C[C@@](F)(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C1	REAL300020169983	0	42	-1.0	-46.33	372.04	4.67	-41.66
CCOC(=O)[C@H]1C[C@@](F)(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C1	REAL300020169983	1	42	-1.0	-46.37	372.10	4.68	-41.69
CCOC(=O)[C@H]1C[C@](F)(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C1	REAL300020169984	0	42	-1.0	-40.98	371.47	4.65	-36.33
CCOC(=O)[C@H]1C[C@](F)(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C1	REAL300020169984	1	42	-1.0	-40.97	371.53	4.66	-36.31
CSCC[C@H](NC(=O)C1=CC(CNC(=O)OC(C)(C)C)=NN1)C1=N[N-]N=N1	REAL300020169985	0	50	-1.0	-45.45	427.79	0.89	-44.56
CSCC[C@H](NC(=O)C1=CC(CNC(=O)OC(C)(C)C)=NN1)C1=NN=N[N-]1	REAL300020169985	1	50	-1.0	-45.44	427.85	0.91	-44.53
CSCC[C@H](NC(=O)CC1CCCCN1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300020169986	0	56	-1.0	-50.40	426.35	5.73	-44.67
CSCC[C@H](NC(=O)CC1CCCCN1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300020169986	1	56	-1.0	-50.35	426.40	5.76	-44.59
CSCC[C@H](NC(=O)C12CC(C)(C1)CN2C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300020169987	0	54	-1.0	-52.96	429.13	6.02	-46.94
CSCC[C@H](NC(=O)C12CC(C)(C1)CN2C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300020169987	1	54	-1.0	-52.92	429.18	6.03	-46.89
CSCC[C@H](NC(=O)CC12CC(C)(C1)OC2)C1=N[N-]N=N1	REAL300020169988	0	41	-1.0	-50.04	344.85	2.97	-47.07
CSCC[C@H](NC(=O)CC12CC(C)(C1)OC2)C1=NN=N[N-]1	REAL300020169988	1	41	-1.0	-50.04	344.90	2.98	-47.06
CSCC[C@H](NC(=O)C1=CC=CC(C(=O)C2=CC=CC=C2)=C1)C1=N[N-]N=N1	REAL300020169989	0	45	-1.0	-55.13	394.15	7.34	-47.79
CSCC[C@H](NC(=O)C1=CC=CC(C(=O)C2=CC=CC=C2)=C1)C1=NN=N[N-]1	REAL300020169989	1	45	-1.0	-55.11	394.21	7.35	-47.76
CSCC[C@H](NC(=O)C1CCS(=O)(=O)C(C)C1)C1=N[N-]N=N1	REAL300020169990	0	42	-1.0	-53.98	355.19	0.91	-53.07
CSCC[C@H](NC(=O)C1CCS(=O)(=O)C(C)C1)C1=NN=N[N-]1	REAL300020169990	1	42	-1.0	-53.99	355.25	0.92	-53.07
CSCC[C@H](NC(=O)[C@@H]1C[C@@H]2CCCCC[C@H]12)C1=N[N-]N=N1	REAL300020169991	0	46	-1.0	-45.45	359.71	5.71	-39.74
CSCC[C@H](NC(=O)[C@@H]1C[C@@H]2CCCCC[C@H]12)C1=NN=N[N-]1	REAL300020169991	1	46	-1.0	-45.45	359.77	5.73	-39.72
CSCC[C@H](NC(=O)[C@@H]1C[C@]12CCCC1=CC=CC=C12)C1=N[N-]N=N1	REAL300020169992	0	47	-1.0	-45.59	385.52	7.63	-37.96
CSCC[C@H](NC(=O)[C@@H]1C[C@]12CCCC1=CC=CC=C12)C1=NN=N[N-]1	REAL300020169992	1	47	-1.0	-45.64	385.57	7.65	-37.99
CSCC[C@H](NC(=O)C1CC(=O)N(C(C)C2CC2)C1)C1=N[N-]N=N1	REAL300020169993	0	47	-1.0	-49.51	392.11	4.66	-44.85
CSCC[C@H](NC(=O)C1CC(=O)N(C(C)C2CC2)C1)C1=NN=N[N-]1	REAL300020169993	1	47	-1.0	-49.50	392.17	4.67	-44.83
CSCC[C@H](NC(=O)C(C)(C)ONC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300020169994	0	50	-1.0	-55.65	415.10	3.97	-51.68
CSCC[C@H](NC(=O)C(C)(C)ONC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300020169994	1	50	-1.0	-55.69	415.15	3.98	-51.71
CCC1=CN2CC(C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)CCC2=N1	REAL300020169995	0	46	-1.0	-45.52	385.56	5.55	-39.97
CCC1=CN2CC(C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)CCC2=N1	REAL300020169995	1	46	-1.0	-45.55	385.62	5.57	-39.98
CSCC[C@H](NC(=O)CCC12CCC(CC1)C2)C1=N[N-]N=N1	REAL300020169996	0	46	-1.0	-45.02	370.61	6.08	-38.94
CSCC[C@H](NC(=O)CCC12CCC(CC1)C2)C1=NN=N[N-]1	REAL300020169996	1	46	-1.0	-45.01	370.66	6.09	-38.92
CSCC[C@H](NC(=O)C1=CC=C(CC2=CC=CC=C2)C=C1)C1=N[N-]N=N1	REAL300020169997	0	46	-1.0	-48.29	400.32	8.54	-39.75
CSCC[C@H](NC(=O)C1=CC=C(CC2=CC=CC=C2)C=C1)C1=NN=N[N-]1	REAL300020169997	1	46	-1.0	-48.33	400.38	8.55	-39.78
CSCC[C@H](NC(=O)CC12CC(C1)C(=O)NC2)C1=N[N-]N=N1	REAL300020169998	0	41	-1.0	-50.42	345.19	1.27	-49.15
CSCC[C@H](NC(=O)CC12CC(C1)C(=O)NC2)C1=NN=N[N-]1	REAL300020169998	1	41	-1.0	-50.41	345.25	1.29	-49.12
CSCC[C@H](NC(=O)C1=CN=CC(N2C=CN=C2)=N1)C1=N[N-]N=N1	REAL300020169999	0	38	-1.0	-46.28	347.83	4.01	-42.27
CSCC[C@H](NC(=O)C1=CN=CC(N2C=CN=C2)=N1)C1=NN=N[N-]1	REAL300020169999	1	38	-1.0	-46.27	347.89	4.02	-42.25
CSCC[C@H](NC(=O)CC1=CC=CC2=C1OC(C)(C)C2)C1=N[N-]N=N1	REAL300020170000	0	47	-1.0	-52.86	399.53	5.98	-46.88
CSCC[C@H](NC(=O)CC1=CC=CC2=C1OC(C)(C)C2)C1=NN=N[N-]1	REAL300020170000	1	47	-1.0	-52.87	399.59	5.99	-46.88
CSCC[C@H](NC(=O)CCCOC1=CC=CC([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL300020170001	0	45	-1.0	-54.25	401.73	5.83	-48.42
CSCC[C@H](NC(=O)CCCOC1=CC=CC([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL300020170001	1	45	-1.0	-54.30	401.79	5.84	-48.46
CSCC[C@H](NC(=O)C1=CN=C(C)C(C#N)=C1)C1=N[N-]N=N1	REAL300020170002	0	36	-1.0	-44.15	332.70	3.17	-40.98
CSCC[C@H](NC(=O)C1=CN=C(C)C(C#N)=C1)C1=NN=N[N-]1	REAL300020170002	1	36	-1.0	-44.15	332.75	3.18	-40.97
CSCC[C@H](NC(=O)C1=CC=C2N=CN(C)C(=O)C2=C1)C1=NN=N[N-]1	REAL300020170003	0	41	-1.0	-58.12	364.06	4.78	-53.34
CSCC[C@H](NC(=O)C1=CC=C2N=CN(C)C(=O)C2=C1)C1=N[N-]N=N1	REAL300020170003	1	41	-1.0	-58.11	364.00	4.76	-53.35
CSCC[C@H](NC(=O)[C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300020170004	0	53	-1.0	-54.02	430.58	3.51	-50.51
CSCC[C@H](NC(=O)[C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300020170004	1	53	-1.0	-54.04	430.64	3.53	-50.51
CSCC[C@H](NC(=O)[C@@]12C[C@]1(C)CN(C(=O)OC(C)(C)C)C2)C1=N[N-]N=N1	REAL300020170005	0	54	-1.0	-44.88	441.47	5.65	-39.23
CSCC[C@H](NC(=O)[C@@]12C[C@]1(C)CN(C(=O)OC(C)(C)C)C2)C1=NN=N[N-]1	REAL300020170005	1	54	-1.0	-44.84	441.53	5.67	-39.17
CSCC[C@H](NC(=O)C12CC(NC(=O)OC(C)(C)C)(C1)CO2)C1=N[N-]N=N1	REAL300020170006	0	52	-1.0	-45.74	429.99	1.08	-44.66
CSCC[C@H](NC(=O)C12CC(NC(=O)OC(C)(C)C)(C1)CO2)C1=NN=N[N-]1	REAL300020170006	1	52	-1.0	-45.76	430.04	1.10	-44.66
CSCC[C@H](NC(=O)C(F)C(C)CNC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300020170007	0	52	-1.0	-46.32	433.34	2.98	-43.34
CSCC[C@H](NC(=O)C(F)C(C)CNC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300020170007	1	52	-1.0	-46.32	433.39	3.00	-43.32
CSCC[C@H](NC(=O)[C@H](CF)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300020170008	0	46	-1.0	-42.79	389.67	1.85	-40.94
CSCC[C@H](NC(=O)[C@H](CF)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300020170008	1	46	-1.0	-42.76	389.73	1.86	-40.90
CSCC[C@H](NC(=O)C1=CC(Cl)=C(F)C(Cl)=C1)C1=N[N-]N=N1	REAL300020170009	0	33	-1.0	-40.70	336.26	5.15	-35.55
CSCC[C@H](NC(=O)C1=CC(Cl)=C(F)C(Cl)=C1)C1=NN=N[N-]1	REAL300020170009	1	33	-1.0	-40.71	336.32	5.16	-35.55
CSCC[C@H](NC(=O)C1=CC=CC(NC(=O)[C@@H]2C[C@H]2C)=C1)C1=N[N-]N=N1	REAL300020170010	0	47	-1.0	-61.54	406.12	5.24	-56.30
CSCC[C@H](NC(=O)C1=CC=CC(NC(=O)[C@@H]2C[C@H]2C)=C1)C1=NN=N[N-]1	REAL300020170010	1	47	-1.0	-61.54	406.18	5.26	-56.28
CSCC[C@H](NC(=O)C1=CN([C@@H]2COC[C@@H]2F)N=N1)C1=NN=N[N-]1	REAL300020170011	0	40	-1.0	-47.18	357.51	0.74	-46.44
CSCC[C@H](NC(=O)C1=CN([C@@H]2COC[C@@H]2F)N=N1)C1=N[N-]N=N1	REAL300020170011	1	40	-1.0	-47.16	357.45	0.72	-46.44
CSCC[C@H](NC(=O)CCCOC1CCC(C)CC1)C1=N[N-]N=N1	REAL300020170012	0	52	-1.0	-48.23	419.84	5.99	-42.24
CSCC[C@H](NC(=O)CCCOC1CCC(C)CC1)C1=NN=N[N-]1	REAL300020170012	1	52	-1.0	-48.26	419.89	6.01	-42.25
CSCC[C@H](NC(=O)C(F)C1CCOC1)C1=N[N-]N=N1	REAL300020170013	0	37	-1.0	-44.78	320.46	1.92	-42.86
CSCC[C@H](NC(=O)C(F)C1CCOC1)C1=NN=N[N-]1	REAL300020170013	1	37	-1.0	-44.78	320.52	1.93	-42.85
CCC1(C)CCC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)O1	REAL300020170014	0	43	-1.0	-50.35	356.75	4.42	-45.93
CCC1(C)CCC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)O1	REAL300020170014	1	43	-1.0	-50.36	356.80	4.44	-45.92
CSCC[C@H](NC(=O)C1=CC=C(NC(=O)[C@@H]2C[C@H]2C)C=C1)C1=N[N-]N=N1	REAL300020170015	0	47	-1.0	-51.27	405.70	5.26	-46.01
CSCC[C@H](NC(=O)C1=CC=C(NC(=O)[C@@H]2C[C@H]2C)C=C1)C1=NN=N[N-]1	REAL300020170015	1	47	-1.0	-51.23	405.76	5.27	-45.96
CSCC[C@H](NC(=O)CC1CC2=CC=CC=C2NC1=O)C1=N[N-]N=N1	REAL300020170016	0	44	-1.0	-51.99	375.33	5.23	-46.76
CSCC[C@H](NC(=O)CC1CC2=CC=CC=C2NC1=O)C1=NN=N[N-]1	REAL300020170016	1	44	-1.0	-52.00	375.38	5.24	-46.76
CSCC[C@H](NC(=O)C1CCC2NC(=O)C(C)(C)C2C1)C1=N[N-]N=N1	REAL300020170017	0	50	-1.0	-47.94	399.80	2.54	-45.40
CSCC[C@H](NC(=O)C1CCC2NC(=O)C(C)(C)C2C1)C1=NN=N[N-]1	REAL300020170017	1	50	-1.0	-47.89	399.86	2.55	-45.34
COC1(C2=CC=C(C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)C=N2)CCOCC1	REAL300020170018	0	50	-1.0	-44.56	412.07	2.79	-41.77
COC1(C2=CC=C(C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)C=N2)CCOCC1	REAL300020170018	1	50	-1.0	-44.53	412.02	2.78	-41.75
CSCC[C@H](NC(=O)C1=CC=C2SN=CC2=C1)C1=NN=N[N-]1	REAL300020170019	0	35	-1.0	-44.93	329.18	4.30	-40.63
CSCC[C@H](NC(=O)C1=CC=C2SN=CC2=C1)C1=N[N-]N=N1	REAL300020170019	1	35	-1.0	-44.93	329.12	4.28	-40.65
CSCC[C@H](NC(=O)C1=CC=C(CN(C)C2=CC=CC=C2)C=C1)C1=N[N-]N=N1	REAL300020170020	0	51	-1.0	-49.59	425.50	8.26	-41.33
CSCC[C@H](NC(=O)C1=CC=C(CN(C)C2=CC=CC=C2)C=C1)C1=NN=N[N-]1	REAL300020170020	1	51	-1.0	-49.56	425.56	8.27	-41.29
CSCC[C@H](NC(=O)C1=CC=C2C(=O)N(C)C=NC2=C1)C1=NN=N[N-]1	REAL300020170021	0	41	-1.0	-52.54	364.06	4.78	-47.76
CSCC[C@H](NC(=O)C1=CC=C2C(=O)N(C)C=NC2=C1)C1=N[N-]N=N1	REAL300020170021	1	41	-1.0	-52.50	364.00	4.77	-47.73
CSCC[C@H](NC(=O)C1CC2(CCC2)CO1)C1=N[N-]N=N1	REAL300020170022	0	41	-1.0	-48.89	345.47	4.10	-44.79
CSCC[C@H](NC(=O)C1CC2(CCC2)CO1)C1=NN=N[N-]1	REAL300020170022	1	41	-1.0	-48.91	345.53	4.11	-44.80
COC1=CC([C@@H]2C[C@H]2C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C(OC)C=C1C	REAL300020170023	0	51	-1.0	-49.27	427.98	5.50	-43.77
COC1=CC([C@@H]2C[C@H]2C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C(OC)C=C1C	REAL300020170023	1	51	-1.0	-49.31	428.04	5.51	-43.80
CSCC[C@H](NC(=O)CC1CCCCC1(F)F)C1=N[N-]N=N1	REAL300020170024	0	42	-1.0	-43.54	351.99	5.08	-38.46
CSCC[C@H](NC(=O)CC1CCCCC1(F)F)C1=NN=N[N-]1	REAL300020170024	1	42	-1.0	-43.49	352.04	5.10	-38.39
CSCC[C@H](NC(=O)[C@H]1[C@@H](NC(=O)OC(C)(C)C)C1(C)C)C1=N[N-]N=N1	REAL300020170025	0	53	-1.0	-44.22	429.45	4.03	-40.19
CSCC[C@H](NC(=O)[C@H]1[C@@H](NC(=O)OC(C)(C)C)C1(C)C)C1=NN=N[N-]1	REAL300020170025	1	53	-1.0	-44.15	429.50	4.05	-40.10
CSCC[C@H](NC(=O)C1=CC=C(C2=CC=NN2C)C=C1)C1=NN=N[N-]1	REAL300020170026	0	43	-1.0	-48.21	372.85	5.08	-43.13
CSCC[C@H](NC(=O)C1=CC=C(C2=CC=NN2C)C=C1)C1=N[N-]N=N1	REAL300020170026	1	43	-1.0	-48.20	372.80	5.07	-43.13
CSCC[C@H](NC(=O)C1CC2(CC(F)C2)C1)C1=N[N-]N=N1	REAL300020170027	0	40	-1.0	-46.36	344.35	5.01	-41.35
CSCC[C@H](NC(=O)C1CC2(CC(F)C2)C1)C1=NN=N[N-]1	REAL300020170027	1	40	-1.0	-46.36	344.40	5.03	-41.33
CSCC[C@H](NC(=O)C1=CC2=CN=NN2C=C1)C1=NN=N[N-]1	REAL300020170028	0	35	-1.0	-46.81	318.99	2.68	-44.13
CSCC[C@H](NC(=O)C1=CC2=CN=NN2C=C1)C1=N[N-]N=N1	REAL300020170028	1	35	-1.0	-46.79	318.93	2.67	-44.12
CSCC[C@H](NC(=O)C12CCC(C1)S(=O)(=O)CC2)C1=N[N-]N=N1	REAL300020170029	0	43	-1.0	-51.61	357.41	1.18	-50.43
CSCC[C@H](NC(=O)C12CCC(C1)S(=O)(=O)CC2)C1=NN=N[N-]1	REAL300020170029	1	43	-1.0	-51.62	357.47	1.20	-50.42
CSCC[C@H](NC(=O)C1CCCC2=NC=CC=C21)C1=N[N-]N=N1	REAL300020170030	0	42	-1.0	-45.81	352.71	4.70	-41.11
CSCC[C@H](NC(=O)C1CCCC2=NC=CC=C21)C1=NN=N[N-]1	REAL300020170030	1	42	-1.0	-45.82	352.76	4.71	-41.11
CSCC[C@H](NC(=O)CSC1=CN(C)N=C1)C1=NN=N[N-]1	REAL300020170031	0	37	-1.0	-48.72	345.93	3.07	-45.65
CSCC[C@H](NC(=O)CSC1=CN(C)N=C1)C1=N[N-]N=N1	REAL300020170031	1	37	-1.0	-48.72	345.87	3.05	-45.67
CSCC[C@H](NC(=O)CCC1=C(F)C=CC=C1Cl)C1=N[N-]N=N1	REAL300020170032	0	39	-1.0	-48.03	362.92	6.01	-42.02
CSCC[C@H](NC(=O)CCC1=C(F)C=CC=C1Cl)C1=NN=N[N-]1	REAL300020170032	1	39	-1.0	-48.02	362.97	6.03	-41.99
CSCC[C@H](NC(=O)C1=CN(C)C2=CC=C(Cl)C=C12)C1=N[N-]N=N1	REAL300020170033	0	40	-1.0	-55.31	368.94	6.28	-49.03
CSCC[C@H](NC(=O)C1=CN(C)C2=CC=C(Cl)C=C12)C1=NN=N[N-]1	REAL300020170033	1	40	-1.0	-55.29	369.00	6.30	-48.99
CSCC[C@H](NC(=O)CC1CC2(CCC2)CO1)C1=N[N-]N=N1	REAL300020170034	0	44	-1.0	-50.96	365.40	4.53	-46.43
CSCC[C@H](NC(=O)CC1CC2(CCC2)CO1)C1=NN=N[N-]1	REAL300020170034	1	44	-1.0	-50.96	365.46	4.54	-46.42
CSCC[C@H](NC(=O)C1=CC=C(CCF)C=C1)C1=N[N-]N=N1	REAL300020170035	0	39	-1.0	-46.77	347.01	5.66	-41.11
CSCC[C@H](NC(=O)C1=CC=C(CCF)C=C1)C1=NN=N[N-]1	REAL300020170035	1	39	-1.0	-46.77	347.06	5.67	-41.10
CSCC[C@H](NC(=O)C1CC2=CSC=C2C1)C1=N[N-]N=N1	REAL300020170036	0	37	-1.0	-44.69	334.66	4.76	-39.93
CSCC[C@H](NC(=O)C1CC2=CSC=C2C1)C1=NN=N[N-]1	REAL300020170036	1	37	-1.0	-44.68	334.71	4.78	-39.90
CSCC[C@H](NC(=O)C1=CN2C=C(C)N=C2C=C1)C1=N[N-]N=N1	REAL300020170037	0	39	-1.0	-45.91	345.77	5.25	-40.66
CSCC[C@H](NC(=O)C1=CN2C=C(C)N=C2C=C1)C1=NN=N[N-]1	REAL300020170037	1	39	-1.0	-45.92	345.83	5.26	-40.66
CSCC[C@H](NC(=O)C1=CN=CC(N=[N+]=[N-])=C1)C1=N[N-]N=N1	REAL300020170038	0	34	-1.0	-42.18	320.23	0.02	-42.16
CSCC[C@H](NC(=O)C1=CN=CC(N=[N+]=[N-])=C1)C1=NN=N[N-]1	REAL300020170038	1	34	-1.0	-42.23	320.29	0.03	-42.20
CSCC[C@H](NC(=O)C1=CC=C([O-])C(N=[N+]=[N-])=C1)C1=N[N-]N=N1	REAL300020170039	0	35	-2.0	-89.39	332.67	-0.12	-89.51
CSCC[C@H](NC(=O)C1=CC=C([O-])C(N=[N+]=[N-])=C1)C1=NN=N[N-]1	REAL300020170039	1	35	-2.0	-89.42	332.72	-0.11	-89.53
CSCC[C@H](NC(=O)[C@H]1CC[C@@H](N=[N+]=[N-])CC1)C1=N[N-]N=N1	REAL300020170040	0	41	-1.0	-46.47	350.36	1.16	-45.31
CSCC[C@H](NC(=O)[C@H]1CC[C@@H](N=[N+]=[N-])CC1)C1=NN=N[N-]1	REAL300020170040	1	41	-1.0	-46.46	350.42	1.17	-45.29
CSCC[C@H](NC(=O)[C@H]1CC[C@H](N=[N+]=[N-])CC1)C1=N[N-]N=N1	REAL300020170041	0	41	-1.0	-44.63	352.80	0.90	-43.73
CSCC[C@H](NC(=O)[C@H]1CC[C@H](N=[N+]=[N-])CC1)C1=NN=N[N-]1	REAL300020170041	1	41	-1.0	-44.61	352.86	0.92	-43.69
CSCC[C@H](NC(=O)[C@@H]1CC=C[C@@H](N=[N+]=[N-])C1)C1=N[N-]N=N1	REAL300020170042	0	39	-1.0	-42.32	344.42	0.86	-41.46
CSCC[C@H](NC(=O)[C@@H]1CC=C[C@@H](N=[N+]=[N-])C1)C1=NN=N[N-]1	REAL300020170042	1	39	-1.0	-42.35	344.48	0.87	-41.48
CSCC[C@H](NC(=O)C1=CC=C(N2CCNS2(=O)=O)C=C1)C1=N[N-]N=N1	REAL300020170043	0	44	-1.0	-57.57	389.96	0.20	-57.37
CSCC[C@H](NC(=O)C1=CC=C(N2CCNS2(=O)=O)C=C1)C1=NN=N[N-]1	REAL300020170043	1	44	-1.0	-57.58	390.02	0.21	-57.37
CSCC[C@H](NC(=O)CCC(F)(F)CN=[N+]=[N-])C1=N[N-]N=N1	REAL300020170044	0	37	-1.0	-43.91	346.19	0.11	-43.80
CSCC[C@H](NC(=O)CCC(F)(F)CN=[N+]=[N-])C1=NN=N[N-]1	REAL300020170044	1	37	-1.0	-43.92	346.25	0.12	-43.80
CSCC[C@H](NC(=O)C1=C2CCCN2N=C1CN=[N+]=[N-])C1=N[N-]N=N1	REAL300020170045	0	42	-1.0	-50.82	379.97	-0.22	-51.04
CSCC[C@H](NC(=O)C1=C2CCCN2N=C1CN=[N+]=[N-])C1=NN=N[N-]1	REAL300020170045	1	42	-1.0	-50.80	380.03	-0.21	-51.01
CSCC[C@H](NC(=O)C1CCC(N=[N+]=[N-])C1)C1=N[N-]N=N1	REAL300020170046	0	38	-1.0	-45.53	335.10	0.31	-45.22
CSCC[C@H](NC(=O)C1CCC(N=[N+]=[N-])C1)C1=NN=N[N-]1	REAL300020170046	1	38	-1.0	-45.54	335.16	0.33	-45.21
CSCC[C@H](NC(=O)C1=C2C=CNC2=NC(C)=N1)C1=N[N-]N=N1	REAL300020170047	0	38	-1.0	-49.27	340.95	3.18	-46.09
CSCC[C@H](NC(=O)C1=C2C=CNC2=NC(C)=N1)C1=NN=N[N-]1	REAL300020170047	1	38	-1.0	-49.26	341.01	3.19	-46.07
CSCC[C@H](NC(=O)CCC1=CC=CC=C1N=[N+]=[N-])C1=N[N-]N=N1	REAL300020170048	0	41	-1.0	-44.44	369.98	3.35	-41.09
CSCC[C@H](NC(=O)CCC1=CC=CC=C1N=[N+]=[N-])C1=NN=N[N-]1	REAL300020170048	1	41	-1.0	-44.40	370.03	3.37	-41.03
CCC1=CC=CC(CC)=C1CC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020170049	0	48	-1.0	-46.67	390.60	7.04	-39.63
CCC1=CC=CC(CC)=C1CC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020170049	1	48	-1.0	-46.69	390.65	7.06	-39.63
CSCC[C@H](NC(=O)C1CCCC(C)(C)CC1)C1=N[N-]N=N1	REAL300020170050	0	48	-1.0	-45.04	361.24	5.60	-39.44
CSCC[C@H](NC(=O)C1CCCC(C)(C)CC1)C1=NN=N[N-]1	REAL300020170050	1	48	-1.0	-45.02	361.30	5.61	-39.41
CSCC[C@H](NC(=O)CC1=CC=CC(OCC2CC2)=C1)C1=N[N-]N=N1	REAL300020170051	0	47	-1.0	-47.52	405.19	6.57	-40.95
CSCC[C@H](NC(=O)CC1=CC=CC(OCC2CC2)=C1)C1=NN=N[N-]1	REAL300020170051	1	47	-1.0	-47.51	405.25	6.58	-40.93
CSCC[C@H](NC(=O)[C@H]1CC[C@@H](C(C)C)CC1)C1=N[N-]N=N1	REAL300020170052	0	48	-1.0	-49.04	372.71	5.91	-43.13
CSCC[C@H](NC(=O)[C@H]1CC[C@@H](C(C)C)CC1)C1=NN=N[N-]1	REAL300020170052	1	48	-1.0	-49.04	372.76	5.93	-43.11
CSCC[C@H](NC(=O)C1CC1C1=CN(C(C)C)N=C1)C1=NN=N[N-]1	REAL300020170053	0	46	-1.0	-47.20	394.78	5.32	-41.88
CSCC[C@H](NC(=O)C1CC1C1=CN(C(C)C)N=C1)C1=N[N-]N=N1	REAL300020170053	1	46	-1.0	-47.21	394.72	5.31	-41.90
CSCC[C@H](NC(=O)C1=CC=C(OCC(F)F)C=C1)C1=N[N-]N=N1	REAL300020170054	0	40	-1.0	-49.77	361.80	4.66	-45.11
CSCC[C@H](NC(=O)C1=CC=C(OCC(F)F)C=C1)C1=NN=N[N-]1	REAL300020170054	1	40	-1.0	-49.82	361.86	4.67	-45.15
COC1=CN=NC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020170055	0	35	-1.0	-46.28	319.64	0.53	-45.75
COC1=CN=NC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020170055	1	35	-1.0	-46.29	319.58	0.52	-45.77
CSCC[C@H](NC(=O)[C@@H]1C[C@H]1C(C)(F)F)C1=N[N-]N=N1	REAL300020170056	0	36	-1.0	-43.18	326.14	4.09	-39.09
CSCC[C@H](NC(=O)[C@@H]1C[C@H]1C(C)(F)F)C1=NN=N[N-]1	REAL300020170056	1	36	-1.0	-43.19	326.20	4.11	-39.08
CSCC[C@H](NC(=O)C1CNC(=O)CC1C)C1=N[N-]N=N1	REAL300020170057	0	40	-1.0	-47.05	339.37	0.75	-46.30
CSCC[C@H](NC(=O)C1CNC(=O)CC1C)C1=NN=N[N-]1	REAL300020170057	1	40	-1.0	-47.06	339.43	0.77	-46.29
CSCC[C@H](NC(=O)C1=CC(F)=CC(C(N)=O)=C1)C1=N[N-]N=N1	REAL300020170058	0	37	-1.0	-52.01	338.44	0.96	-51.05
CSCC[C@H](NC(=O)C1=CC(F)=CC(C(N)=O)=C1)C1=NN=N[N-]1	REAL300020170058	1	37	-1.0	-52.03	338.49	0.97	-51.06
CSCC[C@H](NC(=O)C1=NN(C)N=C1Br)C1=NN=N[N-]1	REAL300020170059	0	32	-1.0	-45.01	317.49	0.71	-44.30
CSCC[C@H](NC(=O)C1=NN(C)N=C1Br)C1=N[N-]N=N1	REAL300020170059	1	32	-1.0	-45.01	317.43	0.70	-44.31
CSCC[C@H](NC(=O)C1(F)C(C)(C)C1(C)C)C1=N[N-]N=N1	REAL300020170060	0	42	-1.0	-43.87	344.71	5.33	-38.54
CSCC[C@H](NC(=O)C1(F)C(C)(C)C1(C)C)C1=NN=N[N-]1	REAL300020170060	1	42	-1.0	-43.91	344.78	5.35	-38.56
COC1(C#N)CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C1	REAL300020170061	0	38	-1.0	-47.62	339.80	2.14	-45.48
COC1(C#N)CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C1	REAL300020170061	1	38	-1.0	-47.64	339.86	2.16	-45.48
CSCC[C@H](NC(=O)C1=CC2=CC=CC=C2C([N+](=O)[O-])=C1)C1=N[N-]N=N1	REAL300020170062	0	41	-1.0	-45.88	368.57	6.92	-38.96
CSCC[C@H](NC(=O)C1=CC2=CC=CC=C2C([N+](=O)[O-])=C1)C1=NN=N[N-]1	REAL300020170062	1	41	-1.0	-45.84	368.63	6.93	-38.91
CSCC[C@H](NC(=O)C1CCOC2(CCCCC2)C1)C1=N[N-]N=N1	REAL300020170063	0	50	-1.0	-45.08	388.76	5.08	-40.00
CSCC[C@H](NC(=O)C1CCOC2(CCCCC2)C1)C1=NN=N[N-]1	REAL300020170063	1	50	-1.0	-45.08	388.82	5.10	-39.98
CSCC[C@H](NC(=O)CC(C1=CC=C(F)C(F)=C1)C1CC1)C1=N[N-]N=N1	REAL300020170064	0	46	-1.0	-49.44	400.60	7.54	-41.90
CSCC[C@H](NC(=O)CC(C1=CC=C(F)C(F)=C1)C1CC1)C1=NN=N[N-]1	REAL300020170064	1	46	-1.0	-49.44	400.66	7.55	-41.89
CSCC[C@H](NC(=O)CC1COC(C)(C)C1)C1=N[N-]N=N1	REAL300020170065	0	43	-1.0	-47.13	358.22	3.34	-43.79
CSCC[C@H](NC(=O)CC1COC(C)(C)C1)C1=NN=N[N-]1	REAL300020170065	1	43	-1.0	-47.19	358.28	3.35	-43.84
CSCC[C@H](NC(=O)C(C)C1=CC=CC2=CC=CC=C21)C1=N[N-]N=N1	REAL300020170066	0	45	-1.0	-48.24	379.98	7.41	-40.83
CSCC[C@H](NC(=O)C(C)C1=CC=CC2=CC=CC=C21)C1=NN=N[N-]1	REAL300020170066	1	45	-1.0	-48.22	380.04	7.42	-40.80
COC1=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CC(F)=C1F	REAL300020170067	0	37	-1.0	-42.27	339.50	3.53	-38.74
COC1=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CC(F)=C1F	REAL300020170067	1	37	-1.0	-42.30	339.56	3.54	-38.76
COC1=CC2=CC=CN=C2C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020170068	0	42	-1.0	-55.76	366.08	4.21	-51.55
COC1=CC2=CC=CN=C2C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020170068	1	42	-1.0	-55.77	366.02	4.20	-51.57
CSCC[C@H](NC(=O)C1=CC(C(F)(F)F)=NC=C1Cl)C1=NN=N[N-]1	REAL300020170069	0	35	-1.0	-41.70	345.97	3.95	-37.75
CSCC[C@H](NC(=O)C1=CC(C(F)(F)F)=NC=C1Cl)C1=N[N-]N=N1	REAL300020170069	1	35	-1.0	-41.67	345.91	3.93	-37.74
CSCC[C@H](NC(=O)CC1CCC(=O)NC1=O)C1=N[N-]N=N1	REAL300020170070	0	39	-1.0	-52.79	338.91	1.71	-51.08
CSCC[C@H](NC(=O)CC1CCC(=O)NC1=O)C1=NN=N[N-]1	REAL300020170070	1	39	-1.0	-52.83	338.96	1.72	-51.11
CSCC[C@H](NC(=O)C1CCCCC(=O)C1)C1=N[N-]N=N1	REAL300020170071	0	41	-1.0	-46.00	337.57	3.90	-42.10
CSCC[C@H](NC(=O)C1CCCCC(=O)C1)C1=NN=N[N-]1	REAL300020170071	1	41	-1.0	-46.02	337.62	3.91	-42.11
CCN1N=C(Br)C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=N1	REAL300020170072	0	35	-1.0	-44.53	339.30	1.55	-42.98
CCN1N=C(Br)C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=N1	REAL300020170072	1	35	-1.0	-44.55	339.24	1.53	-43.02
CSCC[C@H](NC(=O)C1=CC=C(C(C)(C)C)N=C1Cl)C1=NN=N[N-]1	REAL300020170073	0	44	-1.0	-48.38	384.46	5.36	-43.02
CSCC[C@H](NC(=O)C1=CC=C(C(C)(C)C)N=C1Cl)C1=N[N-]N=N1	REAL300020170073	1	44	-1.0	-48.37	384.41	5.35	-43.02
CSCC[C@H](NC(=O)C1CCC2(CC1)NC(=O)N(C)C2=O)C1=N[N-]N=N1	REAL300020170074	0	48	-1.0	-57.48	394.71	1.76	-55.72
CSCC[C@H](NC(=O)C1CCC2(CC1)NC(=O)N(C)C2=O)C1=NN=N[N-]1	REAL300020170074	1	48	-1.0	-57.48	394.77	1.77	-55.71
CSCC[C@H](NC(=O)C1=CC=CC(C2=NNC=C2)=C1)C1=N[N-]N=N1	REAL300020170075	0	40	-1.0	-56.62	356.37	4.13	-52.49
CSCC[C@H](NC(=O)C1=CC=CC(C2=NNC=C2)=C1)C1=NN=N[N-]1	REAL300020170075	1	40	-1.0	-56.64	356.42	4.14	-52.50
CSCC[C@H](NC(=O)C1=C2C=CC=C(C)C2=NN1)C1=NN=N[N-]1	REAL300020170076	0	39	-1.0	-46.96	346.08	3.43	-43.53
CSCC[C@H](NC(=O)C1=C2C=CC=C(C)C2=NN1)C1=N[N-]N=N1	REAL300020170076	1	39	-1.0	-46.92	346.03	3.42	-43.50
CSCC[C@H](NC(=O)C1CCC2(CCOCC2)O1)C1=N[N-]N=N1	REAL300020170077	0	45	-1.0	-50.60	368.87	3.12	-47.48
CSCC[C@H](NC(=O)C1CCC2(CCOCC2)O1)C1=NN=N[N-]1	REAL300020170077	1	45	-1.0	-50.60	368.93	3.14	-47.46
CSCC[C@H](NC(=O)C1CCC2(CCC2)O1)C1=N[N-]N=N1	REAL300020170078	0	41	-1.0	-50.81	346.33	4.34	-46.47
CSCC[C@H](NC(=O)C1CCC2(CCC2)O1)C1=NN=N[N-]1	REAL300020170078	1	41	-1.0	-50.80	346.39	4.36	-46.44
CSCC[C@H](NC(=O)C1=NOC(C2=CC=CC=C2C)=C1)C1=NN=N[N-]1	REAL300020170079	0	42	-1.0	-44.91	376.42	5.77	-39.14
CSCC[C@H](NC(=O)C1=NOC(C2=CC=CC=C2C)=C1)C1=N[N-]N=N1	REAL300020170079	1	42	-1.0	-44.92	376.37	5.75	-39.17
CSCC[C@H](NC(=O)C1=CC=CC(C(C)(F)F)=N1)C1=NN=N[N-]1	REAL300020170080	0	38	-1.0	-44.19	348.94	4.14	-40.05
CSCC[C@H](NC(=O)C1=CC=CC(C(C)(F)F)=N1)C1=N[N-]N=N1	REAL300020170080	1	38	-1.0	-44.23	348.89	4.13	-40.10
CSCC[C@H](NC(=O)C1=CC=CC2=C1COC2)C1=N[N-]N=N1	REAL300020170081	0	38	-1.0	-48.34	331.01	3.38	-44.96
CSCC[C@H](NC(=O)C1=CC=CC2=C1COC2)C1=NN=N[N-]1	REAL300020170081	1	38	-1.0	-48.33	331.06	3.39	-44.94
CSCC[C@H](NC(=O)C1CCCC(C)CC1)C1=N[N-]N=N1	REAL300020170082	0	45	-1.0	-44.51	354.66	5.43	-39.08
CSCC[C@H](NC(=O)C1CCCC(C)CC1)C1=NN=N[N-]1	REAL300020170082	1	45	-1.0	-44.56	354.72	5.45	-39.11
CSCC[C@H](NC(=O)C(C)C1=CC=CC=C1Cl)C1=N[N-]N=N1	REAL300020170083	0	39	-1.0	-44.68	351.76	5.74	-38.94
CSCC[C@H](NC(=O)C(C)C1=CC=CC=C1Cl)C1=NN=N[N-]1	REAL300020170083	1	39	-1.0	-44.62	351.82	5.75	-38.87
CSCC[C@H](NC(=O)C1=CC=CC(CC2=CC=CC=N2)=C1)C1=N[N-]N=N1	REAL300020170084	0	45	-1.0	-48.90	394.70	6.74	-42.16
CSCC[C@H](NC(=O)C1=CC=CC(CC2=CC=CC=N2)=C1)C1=NN=N[N-]1	REAL300020170084	1	45	-1.0	-48.94	394.76	6.75	-42.19
CSCC[C@H](NC(=O)C1=COC2=C(F)C=C(Cl)C=C12)C1=N[N-]N=N1	REAL300020170085	0	36	-1.0	-46.59	349.36	5.00	-41.59
CSCC[C@H](NC(=O)C1=COC2=C(F)C=C(Cl)C=C12)C1=NN=N[N-]1	REAL300020170085	1	36	-1.0	-46.65	349.42	5.02	-41.63
CSCC[C@H](NC(=O)C1=NC2=NC=CN2C=C1)C1=NN=N[N-]1	REAL300020170086	0	35	-1.0	-51.68	321.37	5.29	-46.39
CSCC[C@H](NC(=O)C1=NC2=NC=CN2C=C1)C1=N[N-]N=N1	REAL300020170086	1	35	-1.0	-51.66	321.32	5.27	-46.39
CSCC[C@H](NC(=O)C1CCC2(CC1)NC(=O)NC2=O)C1=N[N-]N=N1	REAL300020170087	0	45	-1.0	-48.90	378.42	-0.27	-49.17
CSCC[C@H](NC(=O)C1CCC2(CC1)NC(=O)NC2=O)C1=NN=N[N-]1	REAL300020170087	1	45	-1.0	-48.87	378.47	-0.25	-49.12
CCCN1C=C(Cl)C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=N1	REAL300020170088	0	39	-1.0	-50.00	361.14	4.00	-46.00
CCCN1C=C(Cl)C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=N1	REAL300020170088	1	39	-1.0	-50.00	361.08	3.98	-46.02
CSCC[C@H](NC(=O)C1=CC(C)=C(C)N=C1Cl)C1=N[N-]N=N1	REAL300020170089	0	38	-1.0	-48.87	343.81	3.91	-44.96
CSCC[C@H](NC(=O)C1=CC(C)=C(C)N=C1Cl)C1=NN=N[N-]1	REAL300020170089	1	38	-1.0	-48.85	343.87	3.93	-44.92
COC(=O)C1CCC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C1	REAL300020170090	0	42	-1.0	-55.05	359.85	4.27	-50.78
COC(=O)C1CCC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C1	REAL300020170090	1	42	-1.0	-55.11	359.90	4.28	-50.83
COC(=O)C1=NNC2=CC=C(C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)C=C21	REAL300020170091	0	42	-1.0	-55.55	379.22	3.43	-52.12
COC(=O)C1=NNC2=CC=C(C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)C=C21	REAL300020170091	1	42	-1.0	-55.45	379.28	3.45	-52.00
CSCC[C@H](NC(=O)C1=C2NCCC(C(C)(C)C)N2N=C1)C1=NN=N[N-]1	REAL300020170092	0	51	-1.0	-49.15	405.48	4.43	-44.72
CSCC[C@H](NC(=O)C1=C2NCCC(C(C)(C)C)N2N=C1)C1=N[N-]N=N1	REAL300020170092	1	51	-1.0	-49.14	405.42	4.41	-44.73
CNC1=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)SC2=NC=CN=C21	REAL300020170093	0	39	-1.0	-47.15	357.97	0.50	-46.65
CNC1=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)SC2=NC=CN=C21	REAL300020170093	1	39	-1.0	-47.16	357.92	0.48	-46.68
CSCC[C@H](NC(=O)C1=C(N)C2=C(C)C(C)=NN=C2S1)C1=N[N-]N=N1	REAL300020170094	0	42	-1.0	-47.61	369.01	2.05	-45.56
CSCC[C@H](NC(=O)C1=C(N)C2=C(C)C(C)=NN=C2S1)C1=NN=N[N-]1	REAL300020170094	1	42	-1.0	-47.61	369.06	2.07	-45.54
CSCC[C@H](NC(=O)C1=C(C)ON=C1C1=CC=C(C)C=C1)C1=NN=N[N-]1	REAL300020170095	0	45	-1.0	-49.08	398.87	6.44	-42.64
CSCC[C@H](NC(=O)C1=C(C)ON=C1C1=CC=C(C)C=C1)C1=N[N-]N=N1	REAL300020170095	1	45	-1.0	-49.12	398.81	6.42	-42.70
CSCC[C@H](NC(=O)C1(C2=NC=CC=C2F)CC1)C1=NN=N[N-]1	REAL300020170096	0	39	-1.0	-49.88	354.60	4.22	-45.66
CSCC[C@H](NC(=O)C1(C2=NC=CC=C2F)CC1)C1=N[N-]N=N1	REAL300020170096	1	39	-1.0	-49.86	354.54	4.21	-45.65
CSCC[C@H](NC(=O)C1=NNC(C)=C1Cl)C1=N[N-]N=N1	REAL300020170097	0	33	-1.0	-48.53	316.95	1.59	-46.94
CSCC[C@H](NC(=O)C1=NNC(C)=C1Cl)C1=NN=N[N-]1	REAL300020170097	1	33	-1.0	-48.57	317.00	1.61	-46.96
CSCC[C@H](NC(=O)C1=CC(C(N)=O)=CC=C1F)C1=N[N-]N=N1	REAL300020170098	0	37	-1.0	-55.56	336.55	0.97	-54.59
CSCC[C@H](NC(=O)C1=CC(C(N)=O)=CC=C1F)C1=NN=N[N-]1	REAL300020170098	1	37	-1.0	-55.56	336.61	0.98	-54.58
CSCC[C@H](NC(=O)C(C1=CC=C(F)C=C1)C1CC1)C1=N[N-]N=N1	REAL300020170099	0	43	-1.0	-44.19	377.86	6.88	-37.31
CSCC[C@H](NC(=O)C(C1=CC=C(F)C=C1)C1CC1)C1=NN=N[N-]1	REAL300020170099	1	43	-1.0	-44.20	377.92	6.90	-37.30
CSCC[C@H](NC(=O)C12CC(C)(C1)OCC2)C1=N[N-]N=N1	REAL300020170100	0	41	-1.0	-45.00	339.40	2.89	-42.11
CSCC[C@H](NC(=O)C12CC(C)(C1)OCC2)C1=NN=N[N-]1	REAL300020170100	1	41	-1.0	-44.95	339.46	2.90	-42.05
CSCC[C@H](NC(=O)C1(N=[N+]=[N-])CN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300020170101	0	49	-1.0	-40.55	411.92	0.55	-40.00
CSCC[C@H](NC(=O)C1(N=[N+]=[N-])CN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300020170101	1	49	-1.0	-40.57	411.98	0.56	-40.01
CSCC[C@H](NC(=O)[C@]12C[C@H]1[C@H](N=[N+]=[N-])C2)C1=N[N-]N=N1	REAL300020170102	0	36	-1.0	-46.33	331.26	0.38	-45.95
CSCC[C@H](NC(=O)[C@]12C[C@H]1[C@H](N=[N+]=[N-])C2)C1=NN=N[N-]1	REAL300020170102	1	36	-1.0	-46.35	331.31	0.39	-45.96
CSCC[C@H](NC(=O)C12CCC(N=[N+]=[N-])(CC1)C2)C1=N[N-]N=N1	REAL300020170103	0	42	-1.0	-46.17	359.56	1.19	-44.98
CSCC[C@H](NC(=O)C12CCC(N=[N+]=[N-])(CC1)C2)C1=NN=N[N-]1	REAL300020170103	1	42	-1.0	-46.20	359.62	1.21	-44.99
CSCC[C@H](NC(=O)C1=NOC(C2=CC=C3OCOC3=C2)=C1)C1=NN=N[N-]1	REAL300020170104	0	42	-1.0	-45.91	382.27	3.80	-42.11
CSCC[C@H](NC(=O)C1=NOC(C2=CC=C3OCOC3=C2)=C1)C1=N[N-]N=N1	REAL300020170104	1	42	-1.0	-45.89	382.21	3.79	-42.10
CSCC[C@H](NC(=O)C1=CC(C2CCC2)=NO1)C1=N[N-]N=N1	REAL300020170105	0	39	-1.0	-41.64	343.82	4.05	-37.59
CSCC[C@H](NC(=O)C1=CC(C2CCC2)=NO1)C1=NN=N[N-]1	REAL300020170105	1	39	-1.0	-41.68	343.88	4.07	-37.61
CSCC[C@H](NC(=O)C1CC(C(C)C)=NO1)C1=N[N-]N=N1	REAL300020170106	0	40	-1.0	-53.79	348.39	3.82	-49.97
CSCC[C@H](NC(=O)C1CC(C(C)C)=NO1)C1=NN=N[N-]1	REAL300020170106	1	40	-1.0	-53.80	348.44	3.83	-49.97
CSCC[C@H](NC(=O)C(F)(F)C1=CSC(C)=C1)C1=N[N-]N=N1	REAL300020170107	0	36	-1.0	-42.68	344.57	4.65	-38.03
CSCC[C@H](NC(=O)C(F)(F)C1=CSC(C)=C1)C1=NN=N[N-]1	REAL300020170107	1	36	-1.0	-42.68	344.63	4.67	-38.01
CSCC[C@H](NC(=O)C1=CC=CC(N=[N+]=[N-])=C1)C1=N[N-]N=N1	REAL300020170108	0	35	-1.0	-45.19	325.11	1.79	-43.40
CSCC[C@H](NC(=O)C1=CC=CC(N=[N+]=[N-])=C1)C1=NN=N[N-]1	REAL300020170108	1	35	-1.0	-45.18	325.17	1.81	-43.37
CSCC[C@H](NC(=O)C1=CC=C(CN=[N+]=[N-])O1)C1=N[N-]N=N1	REAL300020170109	0	35	-1.0	-47.02	333.76	-0.42	-47.44
CSCC[C@H](NC(=O)C1=CC=C(CN=[N+]=[N-])O1)C1=NN=N[N-]1	REAL300020170109	1	35	-1.0	-47.05	333.82	-0.41	-47.46
CSCC[C@H](NC(=O)C1=CC(C)=NN1CC(F)(F)F)C1=N[N-]N=N1	REAL300020170110	0	39	-1.0	-46.17	360.65	3.70	-42.47
CSCC[C@H](NC(=O)C1=CC(C)=NN1CC(F)(F)F)C1=NN=N[N-]1	REAL300020170110	1	39	-1.0	-46.17	360.71	3.72	-42.45
CSCC[C@H](NC(=O)CCCCCCN=[N+]=[N-])C1=N[N-]N=N1	REAL300020170111	0	43	-1.0	-45.68	378.27	1.54	-44.14
CSCC[C@H](NC(=O)CCCCCCN=[N+]=[N-])C1=NN=N[N-]1	REAL300020170111	1	43	-1.0	-45.69	378.33	1.56	-44.13
CSCC[C@H](NC(=O)C1=CC=CC(CN=[N+]=[N-])=C1)C1=N[N-]N=N1	REAL300020170112	0	38	-1.0	-47.72	349.08	1.35	-46.37
CSCC[C@H](NC(=O)C1=CC=CC(CN=[N+]=[N-])=C1)C1=NN=N[N-]1	REAL300020170112	1	38	-1.0	-47.69	349.13	1.37	-46.32
CSCC[C@H](NC(=O)CCCCCCCCCN=[N+]=[N-])C1=N[N-]N=N1	REAL300020170113	0	52	-1.0	-46.92	442.77	3.88	-43.04
CSCC[C@H](NC(=O)CCCCCCCCCN=[N+]=[N-])C1=NN=N[N-]1	REAL300020170113	1	52	-1.0	-46.96	442.83	3.90	-43.06
CSCC[C@H](NC(=O)C1=CC(Cl)=NC(Cl)=C1C)C1=NN=N[N-]1	REAL300020170114	0	35	-1.0	-40.26	339.89	3.78	-36.48
CSCC[C@H](NC(=O)C1=CC(Cl)=NC(Cl)=C1C)C1=N[N-]N=N1	REAL300020170114	1	35	-1.0	-40.27	339.83	3.77	-36.50
CSCC[C@H](NC(=O)C1=CC=C(C)C=C1N=[N+]=[N-])C1=N[N-]N=N1	REAL300020170115	0	38	-1.0	-48.76	345.08	2.75	-46.01
CSCC[C@H](NC(=O)C1=CC=C(C)C=C1N=[N+]=[N-])C1=NN=N[N-]1	REAL300020170115	1	38	-1.0	-48.76	345.13	2.76	-46.00
CCOCC(N=[N+]=[N-])C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020170116	0	38	-1.0	-46.20	347.47	-1.57	-47.77
CCOCC(N=[N+]=[N-])C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020170116	1	38	-1.0	-46.16	347.53	-1.56	-47.72
CSCC[C@H](NC(=O)C1=C(N2C=NN=N2)SC(C)=C1C)C1=NN=N[N-]1	REAL300020170117	0	41	-1.0	-54.79	379.07	4.55	-50.24
CSCC[C@H](NC(=O)C1=C(N2C=NN=N2)SC(C)=C1C)C1=N[N-]N=N1	REAL300020170117	1	41	-1.0	-54.75	379.01	4.53	-50.22
CSCC[C@H](NC(=O)C12CC3(C)CC(C)(CC(F)(C3)C1)C2)C1=N[N-]N=N1	REAL300020170118	0	53	-1.0	-48.04	408.81	7.02	-41.02
CSCC[C@H](NC(=O)C12CC3(C)CC(C)(CC(F)(C3)C1)C2)C1=NN=N[N-]1	REAL300020170118	1	53	-1.0	-47.98	408.87	7.04	-40.94
CSCC[C@H](NC(=O)C(F)(F)C1=CN(C)N=C1)C1=NN=N[N-]1	REAL300020170119	0	36	-1.0	-42.78	336.28	2.70	-40.08
CSCC[C@H](NC(=O)C(F)(F)C1=CN(C)N=C1)C1=N[N-]N=N1	REAL300020170119	1	36	-1.0	-42.76	336.23	2.68	-40.08
CSCC[C@H](NC(=O)C1(C)CCCCNC1=O)C1=N[N-]N=N1	REAL300020170120	0	43	-1.0	-37.16	336.22	1.60	-35.56
CSCC[C@H](NC(=O)C1(C)CCCCNC1=O)C1=NN=N[N-]1	REAL300020170120	1	43	-1.0	-37.16	336.27	1.60	-35.56
COC1=NC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C(C(F)(F)F)=N1	REAL300020170121	0	38	-1.0	-45.87	351.74	-0.01	-45.88
COC1=NC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C(C(F)(F)F)=N1	REAL300020170121	1	38	-1.0	-45.83	351.68	-0.02	-45.85
CSCC[C@H](NC(=O)C1=C([N+](=O)[O-])C=NN1CC(F)F)C1=NN=N[N-]1	REAL300020170122	0	38	-1.0	-57.69	366.43	3.49	-54.20
CSCC[C@H](NC(=O)C1=C([N+](=O)[O-])C=NN1CC(F)F)C1=N[N-]N=N1	REAL300020170122	1	38	-1.0	-57.67	366.37	3.48	-54.19
CSCC[C@H](NC(=O)C1CC(C2CCC2)C1)C1=N[N-]N=N1	REAL300020170123	0	43	-1.0	-45.75	358.16	5.77	-39.98
CSCC[C@H](NC(=O)C1CC(C2CCC2)C1)C1=NN=N[N-]1	REAL300020170123	1	43	-1.0	-45.78	358.21	5.78	-40.00
CSCC[C@H](NC(=O)C1=CC=C(CN2CCOCC2)C=C1)C1=N[N-]N=N1	REAL300020170124	0	49	-1.0	-47.70	406.37	3.17	-44.53
CSCC[C@H](NC(=O)C1=CC=C(CN2CCOCC2)C=C1)C1=NN=N[N-]1	REAL300020170124	1	49	-1.0	-47.70	406.43	3.18	-44.52
CSCC[C@H](NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1)C1=N[N-]N=N1	REAL300020170125	0	55	0.0	-64.36	437.48	8.44	-55.92
CSCC[C@H](NC(=O)CC1CC[NH+](CC2=CC=CC=C2)CC1)C1=NN=N[N-]1	REAL300020170125	1	55	0.0	-64.36	437.54	8.46	-55.90
CSCC[C@H](NC(=O)C1=CC=C(CN2CCOC(C)C2)C=C1)C1=N[N-]N=N1	REAL300020170126	0	52	-1.0	-47.30	426.66	3.72	-43.58
CSCC[C@H](NC(=O)C1=CC=C(CN2CCOC(C)C2)C=C1)C1=NN=N[N-]1	REAL300020170126	1	52	-1.0	-47.35	426.72	3.73	-43.62
CSCC[C@H](NC(=O)C1=CC=C(C[N@@H+]2CCOC(C)C2)C=C1)C1=NN=N[N-]1	REAL300020170126	1	53	0.0	-74.40	423.29	6.17	-68.23
CSCC[C@H](NC(=O)C1=CC=C(C[N@H+]2CCOC(C)C2)C=C1)C1=NN=N[N-]1	REAL300020170126	1	53	0.0	-74.50	423.35	6.17	-68.33
CCNC(=O)N1CCC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)CC1	REAL300020170127	0	48	-1.0	-52.82	394.28	2.91	-49.91
CCNC(=O)N1CCC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)CC1	REAL300020170127	1	48	-1.0	-52.81	394.34	2.92	-49.89
COC1=CC([C@@H](C)CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CC=C1C	REAL300020170128	0	49	-1.0	-46.77	406.56	6.04	-40.73
COC1=CC([C@@H](C)CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CC=C1C	REAL300020170128	1	49	-1.0	-46.82	406.62	6.06	-40.76
C#CC1=CC=CC(OCC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020170129	0	39	-1.0	-51.87	358.33	5.84	-46.03
C#CC1=CC=CC(OCC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020170129	1	39	-1.0	-51.88	358.39	5.86	-46.02
CSCC[C@H](NC(=O)C=CC1=CC=C2CCOCC2=C1)C1=N[N-]N=N1	REAL300020170130	0	45	-1.0	-47.66	385.80	5.35	-42.31
CSCC[C@H](NC(=O)C=CC1=CC=C2CCOCC2=C1)C1=NN=N[N-]1	REAL300020170130	1	45	-1.0	-47.67	385.85	5.37	-42.30
CSCC[C@H](NC(=O)C1CCCC2(CCC2)C1)C1=N[N-]N=N1	REAL300020170131	0	46	-1.0	-45.59	367.16	5.98	-39.61
CSCC[C@H](NC(=O)C1CCCC2(CCC2)C1)C1=NN=N[N-]1	REAL300020170131	1	46	-1.0	-45.60	367.21	5.99	-39.61
CSCC[C@H](NC(=O)[C@@H]1C[C@H]1C1=CC=NN1CC(C)C)C1=N[N-]N=N1	REAL300020170132	0	49	-1.0	-45.03	409.32	5.68	-39.35
CSCC[C@H](NC(=O)[C@@H]1C[C@H]1C1=CC=NN1CC(C)C)C1=NN=N[N-]1	REAL300020170132	1	49	-1.0	-45.05	409.38	5.69	-39.36
CSCC[C@H](NC(=O)[C@@H]1C[C@H]1C1=CN(CC(C)C)N=C1)C1=NN=N[N-]1	REAL300020170133	0	49	-1.0	-47.24	417.44	6.34	-40.90
CSCC[C@H](NC(=O)[C@@H]1C[C@H]1C1=CN(CC(C)C)N=C1)C1=N[N-]N=N1	REAL300020170133	1	49	-1.0	-47.20	417.38	6.32	-40.88
CSCC[C@H](NC(=O)[C@@H]1C[C@H]1C1=CN(C2=CC=CC=C2)N=C1)C1=NN=N[N-]1	REAL300020170134	0	47	-1.0	-48.45	410.59	7.34	-41.11
CSCC[C@H](NC(=O)[C@@H]1C[C@H]1C1=CN(C2=CC=CC=C2)N=C1)C1=N[N-]N=N1	REAL300020170134	1	47	-1.0	-48.48	410.53	7.33	-41.15
CNC(=O)NC(C)C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020170135	0	38	-1.0	-44.21	335.23	-1.02	-45.23
CNC(=O)NC(C)C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020170135	1	38	-1.0	-44.25	335.29	-1.01	-45.26
CNC(=O)N[C@@H](C)C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020170136	0	38	-1.0	-44.21	335.23	-1.02	-45.23
CNC(=O)N[C@@H](C)C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020170136	1	38	-1.0	-44.23	335.29	-1.01	-45.24
CNC(=O)N[C@H](C)C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020170137	0	38	-1.0	-47.21	335.24	-1.02	-48.23
CNC(=O)N[C@H](C)C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020170137	1	38	-1.0	-47.19	335.30	-1.01	-48.20
CSCC[C@H](NC(=O)[C@H](NC(N)=O)C(C)C)C1=N[N-]N=N1	REAL300020170138	0	41	-1.0	-45.81	344.73	-1.18	-46.99
CSCC[C@H](NC(=O)[C@H](NC(N)=O)C(C)C)C1=NN=N[N-]1	REAL300020170138	1	41	-1.0	-45.81	344.79	-1.17	-46.98
CSCC[C@H](NC(=O)C(C)(C)N1C=CC(C2CC2)=N1)C1=N[N-]N=N1	REAL300020170139	0	46	-1.0	-55.12	388.54	5.50	-49.62
CSCC[C@H](NC(=O)C(C)(C)N1C=CC(C2CC2)=N1)C1=NN=N[N-]1	REAL300020170139	1	46	-1.0	-55.12	388.60	5.52	-49.60
CSCC[C@H](NC(=O)C1CC2CCCCCCC21)C1=N[N-]N=N1	REAL300020170140	0	49	-1.0	-47.07	374.28	6.27	-40.80
CSCC[C@H](NC(=O)C1CC2CCCCCCC21)C1=NN=N[N-]1	REAL300020170140	1	49	-1.0	-47.06	374.34	6.29	-40.77
CSCC[C@H](NC(=O)C1CCN(C(=O)OC(C)(C)C)C1(C)C)C1=N[N-]N=N1	REAL300020170141	0	56	-1.0	-45.22	443.45	5.21	-40.01
CSCC[C@H](NC(=O)C1CCN(C(=O)OC(C)(C)C)C1(C)C)C1=NN=N[N-]1	REAL300020170141	1	56	-1.0	-45.27	443.51	5.22	-40.05
CSCC[C@H](NC(=O)C1CCSC(C)C1)C1=N[N-]N=N1	REAL300020170142	0	40	-1.0	-45.36	343.46	4.76	-40.60
CSCC[C@H](NC(=O)C1CCSC(C)C1)C1=NN=N[N-]1	REAL300020170142	1	40	-1.0	-45.36	343.52	4.78	-40.58
CSCC[C@H](NC(=O)C1=NN2CC3(CC3)CC2=C1)C1=N[N-]N=N1	REAL300020170143	0	41	-1.0	-49.88	358.90	4.02	-45.86
CSCC[C@H](NC(=O)C1=NN2CC3(CC3)CC2=C1)C1=NN=N[N-]1	REAL300020170143	1	41	-1.0	-49.87	358.96	4.04	-45.83
CSCC[C@H](NC(=O)C1(C2=CC=NC=C2)CC1)C1=N[N-]N=N1	REAL300020170144	0	39	-1.0	-50.97	344.08	4.03	-46.94
CSCC[C@H](NC(=O)C1(C2=CC=NC=C2)CC1)C1=NN=N[N-]1	REAL300020170144	1	39	-1.0	-50.98	344.14	4.05	-46.93
COC12CCC(C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)(CC1)C2	REAL300020170145	0	44	-1.0	-47.73	361.83	3.37	-44.36
COC12CCC(C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)(CC1)C2	REAL300020170145	1	44	-1.0	-47.77	361.89	3.38	-44.39
CSCC[C@H](NC(=O)C1CCC2(CC2C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300020170146	0	55	-1.0	-45.88	447.31	7.72	-38.16
CSCC[C@H](NC(=O)C1CCC2(CC2C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300020170146	1	55	-1.0	-45.86	447.37	7.73	-38.13
CSCC[C@H](NC(=O)CC1=CC=C2OC=NC2=C1)C1=N[N-]N=N1	REAL300020170147	0	38	-1.0	-50.61	343.89	1.66	-48.95
CSCC[C@H](NC(=O)CC1=CC=C2OC=NC2=C1)C1=NN=N[N-]1	REAL300020170147	1	38	-1.0	-50.62	343.94	1.68	-48.94
COC1CC(CCC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C1	REAL300020170148	0	43	-1.0	-48.61	365.34	3.58	-45.03
COC1CC(CCC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C1	REAL300020170148	1	43	-1.0	-48.57	365.40	3.59	-44.98
CCCCC[C@@H](O)CC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020170149	0	45	-1.0	-48.89	378.81	3.25	-45.64
CCCCC[C@@H](O)CC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020170149	1	45	-1.0	-48.92	378.87	3.27	-45.65
CSCC[C@H](NC(=O)C1=CN2N=CC(C#N)=C2N=C1C)C1=N[N-]N=N1	REAL300020170150	0	39	-1.0	-45.15	357.66	4.13	-41.02
CSCC[C@H](NC(=O)C1=CN2N=CC(C#N)=C2N=C1C)C1=NN=N[N-]1	REAL300020170150	1	39	-1.0	-45.21	357.73	4.14	-41.07
CSCC[C@H](NC(=O)C1=C(C)N=C2C=CC=CN21)C1=N[N-]N=N1	REAL300020170151	0	39	-1.0	-47.42	349.30	4.91	-42.51
CSCC[C@H](NC(=O)C1=C(C)N=C2C=CC=CN21)C1=NN=N[N-]1	REAL300020170151	1	39	-1.0	-47.41	349.36	4.93	-42.48
CSCC[C@H](NC(=O)C1=CC=NC(CC(C)C)=N1)C1=N[N-]N=N1	REAL300020170152	0	43	-1.0	-44.27	372.35	4.12	-40.15
CSCC[C@H](NC(=O)C1=CC=NC(CC(C)C)=N1)C1=NN=N[N-]1	REAL300020170152	1	43	-1.0	-44.24	372.41	4.14	-40.10
CSCC[C@H](NC(=O)C12CC3CC(CC(C3)O1)C2)C1=N[N-]N=N1	REAL300020170153	0	45	-1.0	-50.24	353.41	4.04	-46.20
CSCC[C@H](NC(=O)C12CC3CC(CC(C3)O1)C2)C1=NN=N[N-]1	REAL300020170153	1	45	-1.0	-50.24	353.47	4.06	-46.18
CSCC[C@H](NC(=O)C1(C2=CC=CS2)CCOCC1)C1=N[N-]N=N1	REAL300020170154	0	44	-1.0	-44.48	370.51	4.49	-39.99
CSCC[C@H](NC(=O)C1(C2=CC=CS2)CCOCC1)C1=NN=N[N-]1	REAL300020170154	1	44	-1.0	-44.53	370.56	4.50	-40.03
CSCC[C@H](NC(=O)C(C1=CC=C(C)C=C1)C1CC1)C1=N[N-]N=N1	REAL300020170155	0	46	-1.0	-45.50	392.86	7.49	-38.01
CSCC[C@H](NC(=O)C(C1=CC=C(C)C=C1)C1CC1)C1=NN=N[N-]1	REAL300020170155	1	46	-1.0	-45.49	392.91	7.51	-37.98
CSCC[C@H](NC(=O)COC1=NN(C)C=C1Br)C1=NN=N[N-]1	REAL300020170156	0	37	-1.0	-52.72	358.58	1.73	-50.99
CSCC[C@H](NC(=O)COC1=NN(C)C=C1Br)C1=N[N-]N=N1	REAL300020170156	1	37	-1.0	-52.73	358.52	1.71	-51.02
CSCC[C@H](NC(=O)C1(CCNC(=O)OC(C)(C)C)CCC1)C1=N[N-]N=N1	REAL300020170157	0	56	-1.0	-57.92	454.75	3.90	-54.02
CSCC[C@H](NC(=O)C1(CCNC(=O)OC(C)(C)C)CCC1)C1=NN=N[N-]1	REAL300020170157	1	56	-1.0	-57.91	454.81	3.91	-54.00
CSCC[C@H](NC(=O)C1(CNC(=O)OC(C)(C)C)CC=CC1)C1=N[N-]N=N1	REAL300020170158	0	54	-1.0	-47.59	441.17	3.92	-43.67
CSCC[C@H](NC(=O)C1(CNC(=O)OC(C)(C)C)CC=CC1)C1=NN=N[N-]1	REAL300020170158	1	54	-1.0	-47.59	441.22	3.95	-43.64
CSCC[C@H](NC(=O)C1=NN2C=CC=NC2=C1Cl)C1=NN=N[N-]1	REAL300020170159	0	35	-1.0	-55.13	338.34	3.40	-51.73
CSCC[C@H](NC(=O)C1=NN2C=CC=NC2=C1Cl)C1=N[N-]N=N1	REAL300020170159	1	35	-1.0	-55.16	338.28	3.38	-51.78
CCC1=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)N2C=CC=CC2=N1	REAL300020170160	0	42	-1.0	-51.89	370.93	5.65	-46.24
CCC1=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)N2C=CC=CC2=N1	REAL300020170160	1	42	-1.0	-51.87	370.99	5.67	-46.20
CSCC[C@H](NC(=O)C1(C2=CC=C(F)C=C2C)CC1)C1=N[N-]N=N1	REAL300020170161	0	43	-1.0	-47.34	373.24	6.44	-40.90
CSCC[C@H](NC(=O)C1(C2=CC=C(F)C=C2C)CC1)C1=NN=N[N-]1	REAL300020170161	1	43	-1.0	-47.36	373.30	6.46	-40.90
CSCC[C@H](NC(=O)C1(C2=CC(F)=CC=C2C)CC1)C1=N[N-]N=N1	REAL300020170162	0	43	-1.0	-44.99	374.29	6.44	-38.55
CSCC[C@H](NC(=O)C1(C2=CC(F)=CC=C2C)CC1)C1=NN=N[N-]1	REAL300020170162	1	43	-1.0	-45.01	374.35	6.46	-38.55
CSCC[C@H](NC(=O)C1CCN(C(=O)OC(C)(C)C)C12CC2)C1=N[N-]N=N1	REAL300020170163	0	54	-1.0	-51.56	435.88	5.24	-46.32
CSCC[C@H](NC(=O)C1CCN(C(=O)OC(C)(C)C)C12CC2)C1=NN=N[N-]1	REAL300020170163	1	54	-1.0	-51.54	435.94	5.26	-46.28
CSCC[C@H](NC(=O)C1(C2=CC=C([N+](=O)[O-])C=C2)CC1)C1=N[N-]N=N1	REAL300020170164	0	42	-1.0	-51.06	378.97	6.54	-44.52
CSCC[C@H](NC(=O)C1(C2=CC=C([N+](=O)[O-])C=C2)CC1)C1=NN=N[N-]1	REAL300020170164	1	42	-1.0	-51.07	379.03	6.55	-44.52
COC1=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C2=CC=CN=C2C=C1	REAL300020170165	0	42	-1.0	-52.44	370.71	3.58	-48.86
COC1=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C2=CC=CN=C2C=C1	REAL300020170165	1	42	-1.0	-52.45	370.66	3.57	-48.88
CCC1=C(C)C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=NO1	REAL300020170166	0	38	-1.0	-45.64	336.85	3.58	-42.06
CCC1=C(C)C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=NO1	REAL300020170166	1	38	-1.0	-45.64	336.90	3.59	-42.05
CSCC[C@H](NC(=O)[C@@]12C[C@@H]1[C@H](NC(=O)OC(C)(C)C)C2)C1=N[N-]N=N1	REAL300020170167	0	51	-1.0	-50.87	426.36	3.56	-47.31
CSCC[C@H](NC(=O)[C@@]12C[C@@H]1[C@H](NC(=O)OC(C)(C)C)C2)C1=NN=N[N-]1	REAL300020170167	1	51	-1.0	-50.86	426.42	3.58	-47.28
COC(=O)[C@@H]1C[C@@]1(C(=O)N[C@@H](CCSC)C1=N[N-]N=N1)C(C)C	REAL300020170168	0	45	-1.0	-54.44	377.64	4.96	-49.48
COC(=O)[C@@H]1C[C@@]1(C(=O)N[C@@H](CCSC)C1=NN=N[N-]1)C(C)C	REAL300020170168	1	45	-1.0	-54.39	377.69	4.97	-49.42
CSCC[C@H](NC(=O)C1(F)CC2(CCC2)C1)C1=N[N-]N=N1	REAL300020170169	0	40	-1.0	-41.34	344.11	4.96	-36.38
CSCC[C@H](NC(=O)C1(F)CC2(CCC2)C1)C1=NN=N[N-]1	REAL300020170169	1	40	-1.0	-41.31	344.17	4.97	-36.34
CSCC[C@H](NC(=O)C1=C2C=CC=CN2C(Br)=N1)C1=NN=N[N-]1	REAL300020170170	0	36	-1.0	-51.82	347.40	5.18	-46.64
CSCC[C@H](NC(=O)C1=C2C=CC=CN2C(Br)=N1)C1=N[N-]N=N1	REAL300020170170	1	36	-1.0	-51.83	347.34	5.16	-46.67
CSCC[C@H](NC(=O)C1CCCCNC1=O)C1=N[N-]N=N1	REAL300020170171	0	40	-1.0	-37.38	317.19	1.19	-36.19
CSCC[C@H](NC(=O)C1CCCCNC1=O)C1=NN=N[N-]1	REAL300020170171	1	40	-1.0	-37.36	317.24	1.20	-36.16
CSCC[C@H](NC(=O)C1=NNC=C1C1CCC1)C1=N[N-]N=N1	REAL300020170172	0	40	-1.0	-50.52	344.83	3.20	-47.32
CSCC[C@H](NC(=O)C1=NNC=C1C1CCC1)C1=NN=N[N-]1	REAL300020170172	1	40	-1.0	-50.54	344.88	3.22	-47.32
CSCC[C@H](NC(=O)C1(C)CC(C)OC(C)C1)C1=N[N-]N=N1	REAL300020170173	0	46	-1.0	-48.60	369.58	3.88	-44.72
CSCC[C@H](NC(=O)C1(C)CC(C)OC(C)C1)C1=NN=N[N-]1	REAL300020170173	1	46	-1.0	-48.62	369.64	3.90	-44.72
COCCN1C=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C1=O	REAL300020170174	0	43	-1.0	-57.50	374.47	3.20	-54.30
COCCN1C=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C1=O	REAL300020170174	1	43	-1.0	-57.52	374.53	3.21	-54.31
CSCC[C@H](NC(=O)C1=CC=CC2=C1NC(=O)CC2)C1=N[N-]N=N1	REAL300020170175	0	41	-1.0	-55.39	352.42	3.70	-51.69
CSCC[C@H](NC(=O)C1=CC=CC2=C1NC(=O)CC2)C1=NN=N[N-]1	REAL300020170175	1	41	-1.0	-55.41	352.48	3.71	-51.70
CSCC[C@H](NC(=O)C1=NN(CC(F)(F)F)C=C1Cl)C1=NN=N[N-]1	REAL300020170176	0	36	-1.0	-53.87	357.61	3.75	-50.12
CSCC[C@H](NC(=O)C1=NN(CC(F)(F)F)C=C1Cl)C1=N[N-]N=N1	REAL300020170176	1	36	-1.0	-53.84	357.55	3.73	-50.11
CSCC[C@H](NC(=O)[C@]12COC[C@H]1C2(F)F)C1=N[N-]N=N1	REAL300020170178	0	35	-1.0	-43.89	319.60	1.88	-42.01
CSCC[C@H](NC(=O)[C@]12COC[C@H]1C2(F)F)C1=NN=N[N-]1	REAL300020170178	1	35	-1.0	-43.89	319.65	1.89	-42.00
CSCC[C@H](NC(=O)C(F)(F)C1=CC(F)=CC=C1C)C1=NN=N[N-]1	REAL300020170179	0	39	-1.0	-44.23	352.14	5.33	-38.90
CSCC[C@H](NC(=O)C(F)(F)C1=CC(F)=CC=C1C)C1=N[N-]N=N1	REAL300020170179	1	39	-1.0	-44.21	352.08	5.32	-38.89
CSCC[C@H](NC(=O)C1=CC=CN(C2CCC2)C1=O)C1=N[N-]N=N1	REAL300020170180	0	43	-1.0	-59.39	363.82	5.05	-54.34
CSCC[C@H](NC(=O)C1=CC=CN(C2CCC2)C1=O)C1=NN=N[N-]1	REAL300020170180	1	43	-1.0	-59.38	363.88	5.07	-54.31
CSCC[C@H](NC(=O)C1=NN(CC(F)F)C=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL300020170181	0	38	-1.0	-57.49	361.30	4.65	-52.84
CSCC[C@H](NC(=O)C1=NN(CC(F)F)C=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL300020170181	1	38	-1.0	-57.50	361.24	4.63	-52.87
CSCC[C@H](NC(=O)C(F)(F)C1=CC(F)=CC=C1F)C1=NN=N[N-]1	REAL300020170182	0	35	-2.0	-112.40	338.99	2.97	-109.43
CSCC[C@H](NC(=O)C(F)(F)C1=CC(F)=CC=C1F)C1=N[N-]N=N1	REAL300020170182	1	36	-1.0	-43.35	342.76	4.92	-38.43
CSCC[C@H]([N-]C(=O)C(F)(F)C1=CC(F)=CC=C1F)C1=N[N-]N=N1	REAL300020170182	1	35	-2.0	-112.40	338.99	2.97	-109.43
CSCC[C@H](NC(=O)C(F)(F)C1=CC=CC(F)=C1F)C1=NN=N[N-]1	REAL300020170183	0	35	-2.0	-116.13	338.89	2.98	-113.15
CSCC[C@H](NC(=O)C(F)(F)C1=CC=CC(F)=C1F)C1=N[N-]N=N1	REAL300020170183	1	36	-1.0	-44.29	342.65	4.92	-39.37
CSCC[C@H]([N-]C(=O)C(F)(F)C1=CC=CC(F)=C1F)C1=N[N-]N=N1	REAL300020170183	1	35	-2.0	-116.13	338.89	2.98	-113.15
CCC1=CC=CC=C1C(F)(F)C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020170184	0	42	-1.0	-42.80	363.03	5.82	-36.98
CCC1=CC=CC=C1C(F)(F)C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020170184	1	42	-1.0	-42.84	363.09	5.84	-37.00
CSCC[C@H](NC(=O)CC(C1=CC=CC=C1)N1C=NN=N1)C1=NN=N[N-]1	REAL300020170185	0	44	-1.0	-56.03	385.79	5.07	-50.96
CSCC[C@H](NC(=O)CC(C1=CC=CC=C1)N1C=NN=N1)C1=N[N-]N=N1	REAL300020170185	1	44	-1.0	-56.03	385.74	5.05	-50.98
CSCC[C@H](NC(=O)C1=COC2=C1N(C)C(=O)CCC2)C1=N[N-]N=N1	REAL300020170186	0	44	-1.0	-52.78	372.33	3.60	-49.18
CSCC[C@H](NC(=O)C1=COC2=C1N(C)C(=O)CCC2)C1=NN=N[N-]1	REAL300020170186	1	44	-1.0	-52.82	372.39	3.62	-49.20
CSCC[C@H](NC(=O)C1=CC2=CC=C(Cl)N=C2S1)C1=NN=N[N-]1	REAL300020170187	0	35	-1.0	-45.21	348.34	4.05	-41.16
CSCC[C@H](NC(=O)C1=CC2=CC=C(Cl)N=C2S1)C1=N[N-]N=N1	REAL300020170187	1	35	-1.0	-45.21	348.28	4.03	-41.18
CSCC[C@H](NC(=O)CC1=C2NC=CC=C2N=C1)C1=N[N-]N=N1	REAL300020170188	0	39	-1.0	-56.19	348.53	2.94	-53.25
CSCC[C@H](NC(=O)CC1=C2NC=CC=C2N=C1)C1=NN=N[N-]1	REAL300020170188	1	39	-1.0	-56.21	348.59	2.96	-53.25
COC1=C2NC=C(CC(=O)N[C@@H](CCSC)C3=N[N-]N=N3)C2=CC=C1	REAL300020170189	0	44	-1.0	-53.31	383.59	4.10	-49.21
COC1=C2NC=C(CC(=O)N[C@@H](CCSC)C3=NN=N[N-]3)C2=CC=C1	REAL300020170189	1	44	-1.0	-53.33	383.65	4.11	-49.22
CSCC[C@H](NC(=O)C1=CC2=C(Cl)C=C(F)C=C2N1)C1=N[N-]N=N1	REAL300020170190	0	37	-1.0	-43.47	354.23	4.58	-38.89
CSCC[C@H](NC(=O)C1=CC2=C(Cl)C=C(F)C=C2N1)C1=NN=N[N-]1	REAL300020170190	1	37	-1.0	-43.45	354.28	4.59	-38.86
COC(=O)C1=CC=C(CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C(C)=C1	REAL300020170191	0	45	-1.0	-50.48	393.68	5.89	-44.59
COC(=O)C1=CC=C(CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C(C)=C1	REAL300020170191	1	45	-1.0	-50.42	393.74	5.91	-44.51
COCC(C)(O)CC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020170192	0	40	-1.0	-44.47	339.21	0.69	-43.78
COCC(C)(O)CC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020170192	1	40	-1.0	-44.48	339.26	0.71	-43.77
CSCC[C@H](NC(=O)C1=CC2=C(COCC2)N=C1Cl)C1=N[N-]N=N1	REAL300020170193	0	40	-1.0	-47.98	359.18	2.79	-45.19
CSCC[C@H](NC(=O)C1=CC2=C(COCC2)N=C1Cl)C1=NN=N[N-]1	REAL300020170193	1	40	-1.0	-47.94	359.24	2.81	-45.13
CSCC[C@H](NC(=O)C1=CC(N=S(C)(C)=O)=CC=N1)C1=N[N-]N=N1	REAL300020170194	0	42	-1.0	-63.41	375.60	0.71	-62.70
CSCC[C@H](NC(=O)C1=CC(N=S(C)(C)=O)=CC=N1)C1=NN=N[N-]1	REAL300020170194	1	42	-1.0	-63.42	375.66	0.72	-62.70
CSCC[C@H](NC(=O)C1=C(C)C2=C(CCCC2)N1)C1=N[N-]N=N1	REAL300020170195	0	44	-1.0	-47.43	365.88	4.97	-42.46
CSCC[C@H](NC(=O)C1=C(C)C2=C(CCCC2)N1)C1=NN=N[N-]1	REAL300020170195	1	44	-1.0	-47.45	365.94	4.98	-42.47
CSCC[C@H](NC(=O)C1=CC(CC2CCC2)=CN1)C1=N[N-]N=N1	REAL300020170196	0	44	-1.0	-48.46	376.18	5.41	-43.05
CSCC[C@H](NC(=O)C1=CC(CC2CCC2)=CN1)C1=NN=N[N-]1	REAL300020170196	1	44	-1.0	-48.45	376.24	5.42	-43.03
COC(=O)C1=CSC(CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020170197	0	39	-1.0	-52.60	368.59	4.55	-48.05
COC(=O)C1=CSC(CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020170197	1	39	-1.0	-52.62	368.64	4.56	-48.06
COC(=O)C1=CC=C(CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1F	REAL300020170198	0	42	-1.0	-53.76	381.52	5.45	-48.31
COC(=O)C1=CC=C(CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1F	REAL300020170198	1	42	-1.0	-53.80	381.58	5.46	-48.34
CCC1=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=CS1	REAL300020170199	0	36	-1.0	-45.98	327.21	4.56	-41.42
CCC1=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=CS1	REAL300020170199	1	36	-1.0	-45.97	327.27	4.57	-41.40
CCCCN1C=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)N=N1	REAL300020170200	0	41	-1.0	-46.63	363.23	2.82	-43.81
CCCCN1C=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)N=N1	REAL300020170200	1	41	-1.0	-46.62	363.17	2.80	-43.82
CSCC[C@H](NC(=O)CN1C(=O)[C@H](C)[C@H](C)C1=O)C1=N[N-]N=N1	REAL300020170201	0	42	-1.0	-54.43	363.44	2.84	-51.59
CSCC[C@H](NC(=O)CN1C(=O)[C@H](C)[C@H](C)C1=O)C1=NN=N[N-]1	REAL300020170201	1	42	-1.0	-54.44	363.50	2.86	-51.58
CSCC[C@H](NC(=O)C1CCC2(CNC(=O)C2)CC1)C1=N[N-]N=N1	REAL300020170202	0	47	-1.0	-55.89	379.45	2.20	-53.69
CSCC[C@H](NC(=O)C1CCC2(CNC(=O)C2)CC1)C1=NN=N[N-]1	REAL300020170202	1	47	-1.0	-55.93	379.50	2.21	-53.72
COC(=O)[C@@H]1[C@H](C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C1(C)C	REAL300020170203	0	42	-1.0	-49.18	359.12	4.33	-44.85
COC(=O)[C@@H]1[C@H](C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C1(C)C	REAL300020170203	1	42	-1.0	-49.24	359.18	4.35	-44.89
COC(=O)C1=C2CCCCC2=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)S1	REAL300020170204	0	46	-1.0	-44.00	401.42	6.25	-37.75
COC(=O)C1=C2CCCCC2=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)S1	REAL300020170204	1	46	-1.0	-44.00	401.48	6.26	-37.74
CSCC[C@H](NC(=O)C1CC(C2CCOCC2)=NO1)C1=N[N-]N=N1	REAL300020170205	0	45	-1.0	-51.93	381.52	3.35	-48.58
CSCC[C@H](NC(=O)C1CC(C2CCOCC2)=NO1)C1=NN=N[N-]1	REAL300020170205	1	45	-1.0	-51.92	381.58	3.36	-48.56
CSCC[C@H](NC(=O)C1CC(CC2=CC=CC=C2)=NO1)C1=N[N-]N=N1	REAL300020170206	0	44	-1.0	-52.01	388.12	6.26	-45.75
CSCC[C@H](NC(=O)C1CC(CC2=CC=CC=C2)=NO1)C1=NN=N[N-]1	REAL300020170206	1	44	-1.0	-52.05	388.18	6.27	-45.78
CSCC[C@H](NC(=O)C1CC2(C1)CC(C)=NO2)C1=N[N-]N=N1	REAL300020170207	0	41	-1.0	-48.57	354.75	3.27	-45.30
CSCC[C@H](NC(=O)C1CC2(C1)CC(C)=NO2)C1=NN=N[N-]1	REAL300020170207	1	41	-1.0	-48.56	354.81	3.28	-45.28
CCCC1=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=NN1C	REAL300020170208	0	42	-1.0	-49.98	366.02	3.88	-46.10
CCCC1=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=NN1C	REAL300020170208	1	42	-1.0	-49.99	366.08	3.89	-46.10
CCCC1=NN(C)C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020170209	0	42	-1.0	-44.22	362.78	3.95	-40.27
CCCC1=NN(C)C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020170209	1	42	-1.0	-44.25	362.84	3.96	-40.29
CSCC[C@H](NC(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1)C1=N[N-]N=N1	REAL300020170210	0	48	0.0	-63.90	370.03	5.19	-58.71
CSCC[C@H](NC(=O)[C@H]1CC[C@@H]([NH+](C)C)CC1)C1=NN=N[N-]1	REAL300020170210	1	48	0.0	-63.98	370.08	5.20	-58.78
CSCC[C@H](NC(=O)C1=C2CCCCC2=NNC1=O)C1=N[N-]N=N1	REAL300020170211	0	42	-1.0	-49.29	352.29	2.34	-46.95
CSCC[C@H](NC(=O)C1=C2CCCCC2=NNC1=O)C1=NN=N[N-]1	REAL300020170211	1	42	-1.0	-49.27	352.34	2.35	-46.92
CSCC[C@H](NC(=O)C1=NOC(CC(C)C)=C1)C1=N[N-]N=N1	REAL300020170212	0	41	-1.0	-45.16	358.52	4.23	-40.93
CSCC[C@H](NC(=O)C1=NOC(CC(C)C)=C1)C1=NN=N[N-]1	REAL300020170212	1	41	-1.0	-45.15	358.57	4.24	-40.91
CSCC[C@H](NC(=O)C1=NOC(C2CC2)=C1C)C1=N[N-]N=N1	REAL300020170213	0	39	-1.0	-45.29	347.43	4.38	-40.91
CSCC[C@H](NC(=O)C1=NOC(C2CC2)=C1C)C1=NN=N[N-]1	REAL300020170213	1	39	-1.0	-45.28	347.49	4.40	-40.88
CC[C@@H]1C[C@H](C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)N(C(=O)OC(C)(C)C)C1	REAL300020170214	0	56	-1.0	-60.14	452.77	5.73	-54.41
CC[C@@H]1C[C@H](C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)N(C(=O)OC(C)(C)C)C1	REAL300020170214	1	56	-1.0	-60.16	452.83	5.74	-54.42
CSCC[C@H](NC(=O)C1=CN=C(C2CCOCC2)S1)C1=N[N-]N=N1	REAL300020170215	0	43	-1.0	-45.93	380.72	2.82	-43.11
CSCC[C@H](NC(=O)C1=CN=C(C2CCOCC2)S1)C1=NN=N[N-]1	REAL300020170215	1	43	-1.0	-45.92	380.77	2.84	-43.08
CSCC[C@H](NC(=O)C12CC(C(F)(F)F)(C1)CO2)C1=N[N-]N=N1	REAL300020170216	0	38	-1.0	-43.56	346.77	2.67	-40.89
CSCC[C@H](NC(=O)C12CC(C(F)(F)F)(C1)CO2)C1=NN=N[N-]1	REAL300020170216	1	38	-1.0	-43.57	346.83	2.69	-40.88
CSCC[C@H](NC(=O)C(C)NC1=CC=C(C(F)(F)F)C=N1)C1=N[N-]N=N1	REAL300020170217	0	43	-1.0	-46.45	386.73	3.83	-42.62
CSCC[C@H](NC(=O)C(C)NC1=CC=C(C(F)(F)F)C=N1)C1=NN=N[N-]1	REAL300020170217	1	43	-1.0	-46.43	386.78	3.84	-42.59
CSCC[C@H](NC(=O)C1=CN=C2COCCC2=C1)C1=N[N-]N=N1	REAL300020170218	0	40	-1.0	-45.10	346.47	2.34	-42.76
CSCC[C@H](NC(=O)C1=CN=C2COCCC2=C1)C1=NN=N[N-]1	REAL300020170218	1	40	-1.0	-45.08	346.53	2.36	-42.72
CCC1=CC([N+](=O)[O-])=CC=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020170219	0	41	-1.0	-42.63	359.99	6.16	-36.47
CCC1=CC([N+](=O)[O-])=CC=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020170219	1	41	-1.0	-42.62	360.05	6.18	-36.44
CSCC[C@H](NC(=O)C1=NN(CC(F)(F)F)C(C)=C1)C1=N[N-]N=N1	REAL300020170220	0	39	-1.0	-51.61	361.09	3.57	-48.04
CSCC[C@H](NC(=O)C1=NN(CC(F)(F)F)C(C)=C1)C1=NN=N[N-]1	REAL300020170220	1	39	-1.0	-51.61	361.15	3.59	-48.02
CSCC[C@H](NC(=O)C1=CN(C)C2=C(Cl)C=CC=C12)C1=N[N-]N=N1	REAL300020170221	0	40	-1.0	-50.73	363.36	6.08	-44.65
CSCC[C@H](NC(=O)C1=CN(C)C2=C(Cl)C=CC=C12)C1=NN=N[N-]1	REAL300020170221	1	40	-1.0	-50.73	363.42	6.10	-44.63
CSCC[C@H](NC(=O)C1=NOC(C2=CC=CC=C2)=C1C)C1=NN=N[N-]1	REAL300020170222	0	42	-1.0	-45.05	374.90	5.81	-39.24
CSCC[C@H](NC(=O)C1=NOC(C2=CC=CC=C2)=C1C)C1=N[N-]N=N1	REAL300020170222	1	42	-1.0	-45.03	374.84	5.80	-39.23
CSCC[C@H](NC(=O)C=CC1=C(Br)C=CS1)C1=N[N-]N=N1	REAL300020170223	0	34	-1.0	-46.79	342.21	4.95	-41.84
CSCC[C@H](NC(=O)C=CC1=C(Br)C=CS1)C1=NN=N[N-]1	REAL300020170223	1	34	-1.0	-46.75	342.26	4.96	-41.79
CSCC[C@H](NC(=O)C=CC1=C(Br)SC=C1)C1=N[N-]N=N1	REAL300020170224	0	34	-1.0	-47.45	342.13	4.91	-42.54
CSCC[C@H](NC(=O)C=CC1=C(Br)SC=C1)C1=NN=N[N-]1	REAL300020170224	1	34	-1.0	-47.44	342.19	4.92	-42.52
CSCC[C@H](NC(=O)C1=CC(F)=CC=C1NC(=O)[C@@H]1C[C@H]1C)C1=N[N-]N=N1	REAL300020170225	0	47	-1.0	-41.98	408.03	5.76	-36.22
CSCC[C@H](NC(=O)C1=CC(F)=CC=C1NC(=O)[C@@H]1C[C@H]1C)C1=NN=N[N-]1	REAL300020170225	1	47	-1.0	-41.99	408.09	5.77	-36.22
CSCC[C@H](NC(=O)C1=C(F)C=CC2=NNC=C21)C1=N[N-]N=N1	REAL300020170226	0	36	-1.0	-51.80	334.60	2.67	-49.13
CSCC[C@H](NC(=O)C1=C(F)C=CC2=NNC=C21)C1=NN=N[N-]1	REAL300020170226	1	36	-1.0	-51.81	334.66	2.69	-49.12
CSCC[C@H](NC(=O)C(F)C1CCOCC1)C1=N[N-]N=N1	REAL300020170227	0	40	-1.0	-44.28	341.81	2.58	-41.70
CSCC[C@H](NC(=O)C(F)C1CCOCC1)C1=NN=N[N-]1	REAL300020170227	1	40	-1.0	-44.32	341.86	2.60	-41.72
CCC1=CC=NC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020170228	0	38	-1.0	-47.63	337.73	3.79	-43.84
CCC1=CC=NC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020170228	1	38	-1.0	-47.61	337.78	3.80	-43.81
CSCC[C@H](NC(=O)C1=CN=CC(N2C=CC=N2)=N1)C1=NN=N[N-]1	REAL300020170229	0	38	-1.0	-43.68	350.38	2.78	-40.90
CSCC[C@H](NC(=O)C1=CN=CC(N2C=CC=N2)=N1)C1=N[N-]N=N1	REAL300020170229	1	38	-1.0	-43.73	350.32	2.77	-40.96
CSCC[C@H](NC(=O)C1=CC(F)=CC2=CN=CC=C21)C1=NN=N[N-]1	REAL300020170230	0	38	-1.0	-46.13	339.82	4.65	-41.48
CSCC[C@H](NC(=O)C1=CC(F)=CC2=CN=CC=C21)C1=N[N-]N=N1	REAL300020170230	1	38	-1.0	-46.10	339.76	4.63	-41.47
CSCC[C@H](NC(=O)C1=CC=C(C2=CN=NN2C)C=C1)C1=N[N-]N=N1	REAL300020170231	0	42	-1.0	-49.78	367.10	3.86	-45.92
CSCC[C@H](NC(=O)C1=CC=C(C2=CN=NN2C)C=C1)C1=NN=N[N-]1	REAL300020170231	1	42	-1.0	-49.75	367.16	3.88	-45.87
CSCC[C@H](NC(=O)C(NC(C)=O)C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020170232	0	43	-1.0	-51.89	367.50	4.64	-47.25
CSCC[C@H](NC(=O)C(NC(C)=O)C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020170232	1	43	-1.0	-51.88	367.55	4.66	-47.22
CSCC[C@H](NC(=O)C#CC1=CC=C(F)C(F)=C1)C1=N[N-]N=N1	REAL300020170233	0	35	-1.0	-43.71	342.04	5.57	-38.14
CSCC[C@H](NC(=O)C#CC1=CC=C(F)C(F)=C1)C1=NN=N[N-]1	REAL300020170233	1	35	-1.0	-43.70	342.10	5.59	-38.11
CSCC[C@H](NC(=O)C1=NC=CC=C1C(C)(C)C)C1=NN=N[N-]1	REAL300020170234	0	44	-1.0	-47.14	355.33	4.44	-42.70
CSCC[C@H](NC(=O)C1=NC=CC=C1C(C)(C)C)C1=N[N-]N=N1	REAL300020170234	1	44	-1.0	-47.15	355.28	4.42	-42.73
CSCC[C@H](NC(=O)C1C=CCN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300020170235	0	51	-1.0	-46.03	418.01	4.92	-41.11
CSCC[C@H](NC(=O)C1C=CCN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300020170235	1	51	-1.0	-46.04	418.06	4.93	-41.11
CSCC[C@H](NC(=O)C(C)(F)C(C)(C)F)C1=N[N-]N=N1	REAL300020170236	0	38	-1.0	-46.36	326.03	3.63	-42.73
CSCC[C@H](NC(=O)C(C)(F)C(C)(C)F)C1=NN=N[N-]1	REAL300020170236	1	38	-1.0	-46.37	326.09	3.64	-42.73
CSCC[C@H](NC(=O)C1(C2=CC=CC(F)=C2C)CC1)C1=N[N-]N=N1	REAL300020170237	0	43	-1.0	-51.83	373.30	6.41	-45.42
CSCC[C@H](NC(=O)C1(C2=CC=CC(F)=C2C)CC1)C1=NN=N[N-]1	REAL300020170237	1	43	-1.0	-51.83	373.35	6.42	-45.41
CSCC[C@H](NC(=O)C1(C2=CC=CS2)CCCC1)C1=N[N-]N=N1	REAL300020170238	0	43	-1.0	-45.44	364.73	6.33	-39.11
CSCC[C@H](NC(=O)C1(C2=CC=CS2)CCCC1)C1=NN=N[N-]1	REAL300020170238	1	43	-1.0	-45.44	364.79	6.35	-39.09
CSCC[C@H](NC(=O)C(C1=CC=CS1)C1CCCCC1)C1=N[N-]N=N1	REAL300020170239	0	49	-1.0	-48.11	409.56	7.62	-40.49
CSCC[C@H](NC(=O)C(C1=CC=CS1)C1CCCCC1)C1=NN=N[N-]1	REAL300020170239	1	49	-1.0	-48.11	409.62	7.63	-40.48
CSCC[C@H](NC(=O)C1(C#N)CC2CC2C1)C1=N[N-]N=N1	REAL300020170240	0	38	-1.0	-39.90	335.17	4.47	-35.43
CSCC[C@H](NC(=O)C1(C#N)CC2CC2C1)C1=NN=N[N-]1	REAL300020170240	1	38	-1.0	-39.90	335.24	4.48	-35.42
C=C(C)[C@@H]1OCCC[C@H]1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020170241	0	44	-1.0	-44.88	364.09	3.89	-40.99
C=C(C)[C@@H]1OCCC[C@H]1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020170241	1	44	-1.0	-44.88	364.14	3.90	-40.98
CSCC[C@H](NC(=O)C1=C(N)N(C2=CC=C(F)C=C2)N=C1)C1=NN=N[N-]1	REAL300020170242	0	42	-1.0	-45.78	374.15	4.43	-41.35
CSCC[C@H](NC(=O)C1=C(N)N(C2=CC=C(F)C=C2)N=C1)C1=N[N-]N=N1	REAL300020170242	1	42	-1.0	-45.78	374.10	4.42	-41.36
CSCC[C@H](NC(=O)C1=CC2=NNN=C2C(C)=C1)C1=N[N-]N=N1	REAL300020170243	0	38	-1.0	-45.50	338.79	2.01	-43.49
CSCC[C@H](NC(=O)C1=CC2=NNN=C2C(C)=C1)C1=NN=N[N-]1	REAL300020170243	1	38	-1.0	-45.52	338.85	2.02	-43.50
CCOC(=O)C12CCC(C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)(CC1)CC2	REAL300020170244	0	52	-1.0	-47.49	418.47	6.59	-40.90
CCOC(=O)C12CCC(C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)(CC1)CC2	REAL300020170244	1	52	-1.0	-47.52	418.53	6.60	-40.92
CSCC[C@H](NC(=O)C1=CC=CC(N2C=CC=C2)=N1)C1=NN=N[N-]1	REAL300020170245	0	40	-1.0	-48.40	357.99	6.23	-42.17
CSCC[C@H](NC(=O)C1=CC=CC(N2C=CC=C2)=N1)C1=N[N-]N=N1	REAL300020170245	1	40	-1.0	-48.37	357.93	6.22	-42.15
CSCC[C@H](NC(=O)CCC1=CC=C2OC=NC2=C1)C1=N[N-]N=N1	REAL300020170246	0	41	-1.0	-51.64	365.29	2.47	-49.17
CSCC[C@H](NC(=O)CCC1=CC=C2OC=NC2=C1)C1=NN=N[N-]1	REAL300020170246	1	41	-1.0	-51.64	365.35	2.48	-49.16
CSCC[C@H](NC(=O)C1CC(=O)NC1(C)C)C1=N[N-]N=N1	REAL300020170247	0	40	-1.0	-47.70	340.59	0.60	-47.10
CSCC[C@H](NC(=O)C1CC(=O)NC1(C)C)C1=NN=N[N-]1	REAL300020170247	1	40	-1.0	-47.72	340.65	0.61	-47.11
CSCC[C@H](NC(=O)[C@@H]1NC(=O)[C@H]2CC[C@H]21)C1=N[N-]N=N1	REAL300020170248	0	38	-1.0	-50.37	329.72	0.76	-49.61
CSCC[C@H](NC(=O)[C@@H]1NC(=O)[C@H]2CC[C@H]21)C1=NN=N[N-]1	REAL300020170248	1	38	-1.0	-50.33	329.78	0.79	-49.54
CSCC[C@H](NC(=O)C1=CC2=C(CCSC2)N=C1Cl)C1=N[N-]N=N1	REAL300020170249	0	40	-1.0	-46.56	368.77	4.97	-41.59
CSCC[C@H](NC(=O)C1=CC2=C(CCSC2)N=C1Cl)C1=NN=N[N-]1	REAL300020170249	1	40	-1.0	-46.55	368.83	4.99	-41.56
CSCC[C@H](NC(=O)C1=CC(Cl)=CC2=C1NCCC2)C1=N[N-]N=N1	REAL300020170250	0	42	-1.0	-44.55	368.78	5.05	-39.50
CSCC[C@H](NC(=O)C1=CC(Cl)=CC2=C1NCCC2)C1=NN=N[N-]1	REAL300020170250	1	42	-1.0	-44.53	368.84	5.06	-39.47
CSCC[C@H](NC(=O)C1=CN=C(C2=COC=C2)N=C1N)C1=NN=N[N-]1	REAL300020170251	0	40	-1.0	-44.85	360.33	2.30	-42.55
CSCC[C@H](NC(=O)C1=CN=C(C2=COC=C2)N=C1N)C1=N[N-]N=N1	REAL300020170251	1	40	-1.0	-44.82	360.27	2.28	-42.54
CSCC[C@H](NC(=O)C1=CC=CC(C(N)=O)=C1C)C1=N[N-]N=N1	REAL300020170252	0	40	-1.0	-55.66	342.21	1.57	-54.09
CSCC[C@H](NC(=O)C1=CC=CC(C(N)=O)=C1C)C1=NN=N[N-]1	REAL300020170252	1	40	-1.0	-55.65	342.27	1.59	-54.06
CSCC[C@H](NC(=O)CC1=CC(C(F)(F)F)=NN1C)C1=N[N-]N=N1	REAL300020170253	0	39	-1.0	-51.12	363.78	3.25	-47.87
CSCC[C@H](NC(=O)CC1=CC(C(F)(F)F)=NN1C)C1=NN=N[N-]1	REAL300020170253	1	39	-1.0	-51.12	363.84	3.26	-47.86
CSCC[C@H](NC(=O)C1=CC2=CC=CC(OC(F)F)=C2O1)C1=N[N-]N=N1	REAL300020170254	0	40	-1.0	-47.23	368.04	4.05	-43.18
CSCC[C@H](NC(=O)C1=CC2=CC=CC(OC(F)F)=C2O1)C1=NN=N[N-]1	REAL300020170254	1	40	-1.0	-47.21	368.10	4.06	-43.15
CSCC[C@H](NC(=O)CC1CC(C)OC1C)C1=N[N-]N=N1	REAL300020170255	0	43	-1.0	-45.13	358.77	3.38	-41.75
CSCC[C@H](NC(=O)CC1CC(C)OC1C)C1=NN=N[N-]1	REAL300020170255	1	43	-1.0	-45.14	358.83	3.40	-41.74
CCC1=CN2CCC(C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)CC2=N1	REAL300020170256	0	46	-1.0	-50.19	385.72	5.57	-44.62
CCC1=CN2CCC(C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)CC2=N1	REAL300020170256	1	46	-1.0	-50.17	385.78	5.58	-44.59
CSCC[C@H](NC(=O)CC1CCCC2CCCCC12)C1=N[N-]N=N1	REAL300020170257	0	52	-1.0	-45.79	399.92	7.21	-38.58
CSCC[C@H](NC(=O)CC1CCCC2CCCCC12)C1=NN=N[N-]1	REAL300020170257	1	52	-1.0	-45.79	399.98	7.23	-38.56
CSCC[C@H](NC(=O)C1=COC(Cl)=C1)C1=N[N-]N=N1	REAL300020170258	0	30	-1.0	-45.72	297.98	2.67	-43.05
CSCC[C@H](NC(=O)C1=COC(Cl)=C1)C1=NN=N[N-]1	REAL300020170258	1	30	-1.0	-45.73	298.04	2.69	-43.04
COC1=C2C(C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)=CSC2=CC=C1	REAL300020170259	0	40	-1.0	-50.61	357.57	6.13	-44.48
COC1=C2C(C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)=CSC2=CC=C1	REAL300020170259	1	40	-1.0	-50.65	357.63	6.14	-44.51
CSCC[C@H](NC(=O)C1=C2C=CC=CC2=NS1)C1=NN=N[N-]1	REAL300020170260	0	35	-1.0	-47.11	328.44	4.03	-43.08
CSCC[C@H](NC(=O)C1=C2C=CC=CC2=NS1)C1=N[N-]N=N1	REAL300020170260	1	35	-1.0	-47.08	328.38	4.02	-43.06
CSCC[C@H](NC(=O)C1=C(C)C=C(F)S1)C1=N[N-]N=N1	REAL300020170261	0	33	-1.0	-42.05	312.98	3.90	-38.15
CSCC[C@H](NC(=O)C1=C(C)C=C(F)S1)C1=NN=N[N-]1	REAL300020170261	1	33	-1.0	-42.03	313.03	3.91	-38.12
CSCC[C@H](NC(=O)[C@@H]1[C@H](C(F)F)C1(C)C)C1=N[N-]N=N1	REAL300020170262	0	39	-1.0	-46.91	334.97	4.46	-42.45
CSCC[C@H](NC(=O)[C@@H]1[C@H](C(F)F)C1(C)C)C1=NN=N[N-]1	REAL300020170262	1	39	-1.0	-46.95	335.03	4.48	-42.47
CSCC[C@H](NC(=O)C1=C2N=NN(C)C2=CC=C1)C1=NN=N[N-]1	REAL300020170263	0	38	-1.0	-63.24	340.37	2.74	-60.50
CSCC[C@H](NC(=O)C1=C2N=NN(C)C2=CC=C1)C1=N[N-]N=N1	REAL300020170263	1	38	-1.0	-63.22	340.32	2.72	-60.50
CCOC1=CC=C(Cl)N=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020170264	0	39	-1.0	-50.68	361.03	4.28	-46.40
CCOC1=CC=C(Cl)N=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020170264	1	39	-1.0	-50.66	360.97	4.27	-46.39
COC1=NC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C(C)=N1	REAL300020170265	0	38	-1.0	-43.25	336.05	-0.54	-43.79
COC1=NC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C(C)=N1	REAL300020170265	1	38	-1.0	-43.28	336.11	-0.53	-43.81
COC(=O)CC1(CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)CC1	REAL300020170266	0	42	-1.0	-44.29	363.87	4.46	-39.83
COC(=O)CC1(CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)CC1	REAL300020170266	1	42	-1.0	-44.28	363.93	4.47	-39.81
CSCC[C@H](NC(=O)C(C)CC1=CC=NC=C1)C1=N[N-]N=N1	REAL300020170267	0	41	-1.0	-45.61	353.90	4.29	-41.32
CSCC[C@H](NC(=O)C(C)CC1=CC=NC=C1)C1=NN=N[N-]1	REAL300020170267	1	41	-1.0	-45.61	353.96	4.30	-41.31
CSCC[C@H](NC(=O)C1CC(N2C=CN=C2)C1)C1=N[N-]N=N1	REAL300020170268	0	40	-1.0	-53.98	347.68	5.08	-48.90
CSCC[C@H](NC(=O)C1CC(N2C=CN=C2)C1)C1=NN=N[N-]1	REAL300020170268	1	40	-1.0	-54.00	347.74	5.09	-48.91
CSCC[C@H](NC(=O)COCCCC(C)C)C1=N[N-]N=N1	REAL300020170269	0	45	-1.0	-48.08	378.79	4.97	-43.11
CSCC[C@H](NC(=O)COCCCC(C)C)C1=NN=N[N-]1	REAL300020170269	1	45	-1.0	-48.09	378.84	4.99	-43.10
CSCC[C@H](NC(=O)C(=O)C1=CNC2=CC=C(F)C=C12)C1=N[N-]N=N1	REAL300020170270	0	39	-1.0	-45.55	356.99	4.03	-41.52
CSCC[C@H](NC(=O)C(=O)C1=CNC2=CC=C(F)C=C12)C1=NN=N[N-]1	REAL300020170270	1	39	-1.0	-45.54	357.05	4.04	-41.50
CSCC[C@H](NC(=O)C(O)C1=CC=CC(C)=C1)C1=N[N-]N=N1	REAL300020170271	0	40	-1.0	-45.93	351.67	3.47	-42.46
CSCC[C@H](NC(=O)C(O)C1=CC=CC(C)=C1)C1=NN=N[N-]1	REAL300020170271	1	40	-1.0	-45.91	351.73	3.49	-42.42
CSCC[C@H](NC(=O)[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300020170272	0	54	-1.0	-50.75	434.47	5.76	-44.99
CSCC[C@H](NC(=O)[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300020170272	1	54	-1.0	-50.77	434.53	5.78	-44.99
CSCC[C@H](NC(=O)C1CC(C)N(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300020170273	0	53	-1.0	-47.24	430.36	4.83	-42.41
CSCC[C@H](NC(=O)C1CC(C)N(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300020170273	1	53	-1.0	-47.29	430.42	4.84	-42.45
CSCC[C@H](NC(=O)C1=C(C)N=C(C2CCOCC2)N=C1C)C1=N[N-]N=N1	REAL300020170274	0	51	-1.0	-43.81	426.47	3.64	-40.17
CSCC[C@H](NC(=O)C1=C(C)N=C(C2CCOCC2)N=C1C)C1=NN=N[N-]1	REAL300020170274	1	51	-1.0	-43.82	426.52	3.66	-40.16
CSCC[C@H](NC(=O)C1=CC2=C(CCCC2=O)N1)C1=N[N-]N=N1	REAL300020170275	0	40	-1.0	-55.30	350.89	3.44	-51.86
CSCC[C@H](NC(=O)C1=CC2=C(CCCC2=O)N1)C1=NN=N[N-]1	REAL300020170275	1	40	-1.0	-55.27	350.95	3.45	-51.82
CSCC[C@H](NC(=O)C1=COC(CN2C=CC=N2)=C1)C1=NN=N[N-]1	REAL300020170276	0	40	-1.0	-55.60	365.26	3.92	-51.68
CSCC[C@H](NC(=O)C1=COC(CN2C=CC=N2)=C1)C1=N[N-]N=N1	REAL300020170276	1	40	-1.0	-55.62	365.20	3.90	-51.72
COC1=CC=C(Cl)C(F)=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020170277	0	37	-1.0	-49.67	352.90	3.82	-45.85
COC1=CC=C(Cl)C(F)=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020170277	1	37	-1.0	-49.71	352.96	3.84	-45.87
CSCC[C@H](NC(=O)C1=CC=C2NC=C(C#N)C2=C1)C1=N[N-]N=N1	REAL300020170278	0	38	-1.0	-58.96	350.04	4.59	-54.37
CSCC[C@H](NC(=O)C1=CC=C2NC=C(C#N)C2=C1)C1=NN=N[N-]1	REAL300020170278	1	38	-1.0	-58.93	350.10	4.61	-54.32
CSCC[C@H](NC(=O)C1=CNC(C2=CC=CC=C2)=C1)C1=N[N-]N=N1	REAL300020170279	0	41	-1.0	-52.33	362.31	5.49	-46.84
CSCC[C@H](NC(=O)C1=CNC(C2=CC=CC=C2)=C1)C1=NN=N[N-]1	REAL300020170279	1	41	-1.0	-52.30	362.37	5.50	-46.80
CCC1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C(F)=C1	REAL300020170280	0	39	-1.0	-50.37	344.97	5.60	-44.77
CCC1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C(F)=C1	REAL300020170280	1	39	-1.0	-50.35	345.03	5.61	-44.74
CSCC[C@H](NC(=O)[C@]12CCO[C@H]1CC(=O)NC2)C1=N[N-]N=N1	REAL300020170281	0	42	-1.0	-48.33	351.81	-0.50	-48.83
CSCC[C@H](NC(=O)[C@]12CCO[C@H]1CC(=O)NC2)C1=NN=N[N-]1	REAL300020170281	1	42	-1.0	-48.36	351.86	-0.49	-48.85
CSCC[C@H](NC(=O)C1(O)CCCC(C)CC1)C1=N[N-]N=N1	REAL300020170282	0	46	-1.0	-46.46	358.30	2.93	-43.53
CSCC[C@H](NC(=O)C1(O)CCCC(C)CC1)C1=NN=N[N-]1	REAL300020170282	1	46	-1.0	-46.45	358.36	2.94	-43.51
CSCC[C@H](NC(=O)C1=C(S(N)(=O)=O)SC(C)=C1)C1=N[N-]N=N1	REAL300020170283	0	38	-1.0	-59.30	358.23	0.11	-59.19
CSCC[C@H](NC(=O)C1=C(S(N)(=O)=O)SC(C)=C1)C1=NN=N[N-]1	REAL300020170283	1	38	-1.0	-59.31	358.29	0.12	-59.19
CSCC[C@H](NC(=O)C(O)C1CCC(C(C)(C)C)CC1)C1=N[N-]N=N1	REAL300020170284	0	55	-1.0	-44.31	418.22	4.15	-40.16
CSCC[C@H](NC(=O)C(O)C1CCC(C(C)(C)C)CC1)C1=NN=N[N-]1	REAL300020170284	1	55	-1.0	-44.35	418.27	4.17	-40.18
CCOC1=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=CS1	REAL300020170285	0	37	-1.0	-51.78	340.56	4.41	-47.37
CCOC1=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=CS1	REAL300020170285	1	37	-1.0	-51.77	340.62	4.42	-47.35
CSCC[C@H](NC(=O)C1=C(N)N(C2=CC=CC=C2F)N=C1)C1=NN=N[N-]1	REAL300020170286	0	42	-1.0	-51.10	375.88	4.45	-46.65
CSCC[C@H](NC(=O)C1=C(N)N(C2=CC=CC=C2F)N=C1)C1=N[N-]N=N1	REAL300020170286	1	42	-1.0	-51.08	375.82	4.44	-46.64
CSCC[C@H](NC(=O)C1=C2NC=CC2=CC(F)=C1)C1=N[N-]N=N1	REAL300020170287	0	37	-1.0	-44.79	333.04	4.35	-40.44
CSCC[C@H](NC(=O)C1=C2NC=CC2=CC(F)=C1)C1=NN=N[N-]1	REAL300020170287	1	37	-1.0	-44.81	333.10	4.36	-40.45
CCC1=NNC(CC)=C1CC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020170288	0	45	-1.0	-47.78	386.15	3.78	-44.00
CCC1=NNC(CC)=C1CC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020170288	1	45	-1.0	-47.80	386.21	3.80	-44.00
CSCC[C@H](NC(=O)C1=C2N=C(N(C)C)OC2=CC=C1)C1=NN=N[N-]1	REAL300020170289	0	43	-1.0	-58.40	376.19	2.90	-55.50
CSCC[C@H](NC(=O)C1=C2N=C(N(C)C)OC2=CC=C1)C1=N[N-]N=N1	REAL300020170289	1	43	-1.0	-58.41	376.13	2.89	-55.52
CSCC[C@H](NC(=O)[C@@H](O)CC1=CC2=CC=CC=C2C=C1)C1=N[N-]N=N1	REAL300020170290	0	46	-1.0	-45.68	399.37	5.73	-39.95
CSCC[C@H](NC(=O)[C@@H](O)CC1=CC2=CC=CC=C2C=C1)C1=NN=N[N-]1	REAL300020170290	1	46	-1.0	-45.65	399.43	5.75	-39.90
CSCC[C@H](NC(=O)C1=CC=C(N=S(C)(C)=O)S1)C1=N[N-]N=N1	REAL300020170291	0	40	-1.0	-64.01	372.90	1.53	-62.48
CSCC[C@H](NC(=O)C1=CC=C(N=S(C)(C)=O)S1)C1=NN=N[N-]1	REAL300020170291	1	40	-1.0	-64.01	372.96	1.54	-62.47
CSCC[C@H](NC(=O)C1CCC[N@H+](CC(C)C)C1)C1=NN=N[N-]1	REAL300020170292	0	51	0.0	-53.82	392.63	6.43	-47.39
CSCC[C@H](NC(=O)C1CCC[N@@H+](CC(C)C)C1)C1=NN=N[N-]1	REAL300020170292	1	51	0.0	-57.83	398.90	6.20	-51.63
CSCC[C@H](NC(=O)C1CCC[N@H+](CC(C)C)C1)C1=N[N-]N=N1	REAL300020170292	1	51	0.0	-53.82	392.63	6.43	-47.39
CSCC[C@H](NC(=O)C1CCC[N@@H+](CC(C)C)C1)C1=N[N-]N=N1	REAL300020170292	1	51	0.0	-57.83	398.90	6.20	-51.63
CC[N@@H+]1CCCC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C1	REAL300020170293	0	45	0.0	-50.74	353.70	4.98	-45.76
CC[N@H+]1CCCC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C1	REAL300020170293	1	45	0.0	-53.13	353.71	4.98	-48.15
CC[N@@H+]1CCCC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C1	REAL300020170293	1	45	0.0	-50.74	353.70	4.98	-45.76
CC[N@H+]1CCCC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C1	REAL300020170293	1	45	0.0	-53.13	353.71	4.98	-48.15
CSCC[C@H](NC(=O)[C@@H]1C[C@H]1C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020170294	0	40	-1.0	-45.86	350.06	6.11	-39.75
CSCC[C@H](NC(=O)[C@@H]1C[C@H]1C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020170294	1	40	-1.0	-45.84	350.12	6.12	-39.72
CCC(=CC1=CC=CC=C1)C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020170295	0	43	-1.0	-46.22	362.30	6.47	-39.75
CCC(=CC1=CC=CC=C1)C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020170295	1	43	-1.0	-46.23	362.35	6.48	-39.75
CSCC[C@H](NC(=O)C1=CSN=C1C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020170297	0	39	-1.0	-47.16	357.67	5.31	-41.85
CSCC[C@H](NC(=O)C1=CSN=C1C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020170297	1	39	-1.0	-47.16	357.61	5.29	-41.87
CSCC[C@H](NC(=O)C1=C(F)C(F)=C(F)C(F)=C1F)C1=N[N-]N=N1	REAL300020170298	0	33	-1.0	-41.70	332.53	4.21	-37.49
CSCC[C@H](NC(=O)C1=C(F)C(F)=C(F)C(F)=C1F)C1=NN=N[N-]1	REAL300020170298	1	33	-1.0	-41.71	332.59	4.22	-37.49
CC(C)(C)OC(=O)NCC1(NC(=O)CCC2=N[N-]N=N2)COC1	REAL300020170299	0	44	-1.0	-44.52	358.15	-1.05	-45.57
CC(C)(C)OC(=O)NCC1(NC(=O)CCC2=NN=N[N-]2)COC1	REAL300020170299	1	44	-1.0	-44.49	358.21	-1.03	-45.52
O=C(CCC1=NN=N[N-]1)NCCN1CCN(C2=NC=CC=N2)CC1	REAL300020170300	0	44	-1.0	-44.64	356.48	0.98	-43.66
O=C(CCC1=N[N-]N=N1)NCCN1CCN(C2=NC=CC=N2)CC1	REAL300020170300	1	44	-1.0	-44.64	356.42	0.96	-43.68
O=C(CCC1=NN=N[N-]1)NC1=CC=C(N2[N-]C(C3CC3)=CC2=O)N=C1	REAL300020170301	0	39	-2.0	-91.33	345.64	3.98	-87.35
O=C(CCC1=N[N-]N=N1)NC1=CC=C(N2[N-]C(C3CC3)=CC2=O)N=C1	REAL300020170301	1	39	-2.0	-91.35	345.58	3.96	-87.39
O=C(CCC1=N[N-]N=N1)NC1=NNC=C1I	REAL300020170302	0	23	-1.0	-43.11	240.82	1.30	-41.81
O=C(CCC1=NN=N[N-]1)NC1=NNC=C1I	REAL300020170302	1	23	-1.0	-43.13	240.88	1.31	-41.82
CC(C)(C)OC(=O)C1(C)CCCN1C(=O)CCC1=N[N-]N=N1	REAL300020170303	0	44	-1.0	-41.32	342.35	6.23	-35.09
CC(C)(C)OC(=O)C1(C)CCCN1C(=O)CCC1=NN=N[N-]1	REAL300020170303	1	44	-1.0	-41.32	342.41	6.24	-35.08
COC(=O)C(CC1=CC=CC=C1O)NC(=O)CCC1=N[N-]N=N1	REAL300020170304	0	39	-1.0	-46.24	343.16	1.80	-44.44
COC(=O)C(CC1=CC=CC=C1O)NC(=O)CCC1=NN=N[N-]1	REAL300020170304	1	39	-1.0	-46.25	343.22	1.81	-44.44
COCCOCCN1CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300020170305	0	45	-1.0	-41.12	357.73	0.40	-40.72
COCCOCCN1CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020170305	1	45	-1.0	-41.15	357.78	0.42	-40.73
N#CC1=CC=C(C2CCN(C(=O)CCC3=N[N-]N=N3)CC2)N=C1	REAL300020170306	0	39	-1.0	-41.95	328.26	4.84	-37.11
N#CC1=CC=C(C2CCN(C(=O)CCC3=NN=N[N-]3)CC2)N=C1	REAL300020170306	1	39	-1.0	-41.97	328.32	4.86	-37.11
O=C(CCC1=N[N-]N=N1)NCC1=NN=C2C(Cl)=CC=CN12	REAL300020170307	0	31	-1.0	-47.07	295.94	3.50	-43.57
O=C(CCC1=NN=N[N-]1)NCC1=NN=C2C(Cl)=CC=CN12	REAL300020170307	1	31	-1.0	-47.08	295.99	3.51	-43.57
O=C(CCC1=N[N-]N=N1)NCC1=NN=C2C=CC(Cl)=CN21	REAL300020170308	0	31	-1.0	-43.36	295.89	3.53	-39.83
O=C(CCC1=NN=N[N-]1)NCC1=NN=C2C=CC(Cl)=CN21	REAL300020170308	1	31	-1.0	-43.41	295.94	3.55	-39.86
O=C(CCC1=N[N-]N=N1)N1CCN(CCNS(=O)(=O)C2=CC=CC=C2)CC1	REAL300020170309	0	49	-1.0	-45.70	405.69	0.47	-45.23
O=C(CCC1=NN=N[N-]1)N1CCN(CCNS(=O)(=O)C2=CC=CC=C2)CC1	REAL300020170309	1	49	-1.0	-45.71	405.75	0.48	-45.23
O=C(CCC1=NN=N[N-]1)N1CCCC(C(=O)NC2=CC=CC=N2)C1	REAL300020170310	0	42	-1.0	-45.04	345.23	4.41	-40.63
O=C(CCC1=N[N-]N=N1)N1CCCC(C(=O)NC2=CC=CC=N2)C1	REAL300020170310	1	42	-1.0	-45.04	345.17	4.40	-40.64
COC1=NSC(CNC(=O)CCC2=N[N-]N=N2)=C1Br	REAL300020170311	0	29	-1.0	-39.02	294.35	-0.81	-39.83
COC1=NSC(CNC(=O)CCC2=NN=N[N-]2)=C1Br	REAL300020170311	1	29	-1.0	-39.00	294.41	-0.79	-39.79
CCOC(=O)C(NC(=O)CCC1=N[N-]N=N1)C(O)C1=CC=C(Cl)C=C1	REAL300020170312	0	42	-1.0	-44.83	372.77	3.44	-41.39
CCOC(=O)C(NC(=O)CCC1=NN=N[N-]1)C(O)C1=CC=C(Cl)C=C1	REAL300020170312	1	42	-1.0	-44.85	372.83	3.45	-41.40
CC(NC(=O)CCC1=N[N-]N=N1)C1=CC=C2OCCCC2=C1	REAL300020170313	0	40	-1.0	-40.83	328.78	4.16	-36.67
CC(NC(=O)CCC1=NN=N[N-]1)C1=CC=C2OCCCC2=C1	REAL300020170313	1	40	-1.0	-40.85	328.84	4.18	-36.67
O=C(CCC1=N[N-]N=N1)NC1=CC=C(OC(F)(F)F)C=C1Cl	REAL300020170314	0	30	-1.0	-36.50	292.46	3.00	-33.50
O=C(CCC1=NN=N[N-]1)NC1=CC=C(OC(F)(F)F)C=C1Cl	REAL300020170314	1	30	-1.0	-36.46	292.52	3.01	-33.45
O=C(CCC1=NN=N[N-]1)NCC1=CN=CC=C1C(F)(F)F	REAL300020170315	0	31	-1.0	-40.96	283.49	2.32	-38.64
O=C(CCC1=N[N-]N=N1)NCC1=CN=CC=C1C(F)(F)F	REAL300020170315	1	31	-1.0	-40.98	283.43	2.30	-38.68
CC(C)(C)OC(=O)N1CC2CC1(CNC(=O)CCC1=N[N-]N=N1)C2	REAL300020170316	0	47	-1.0	-45.72	370.31	4.11	-41.61
CC(C)(C)OC(=O)N1CC2CC1(CNC(=O)CCC1=NN=N[N-]1)C2	REAL300020170316	1	47	-1.0	-45.73	370.36	4.13	-41.60
CCN(C(=O)CCC1=N[N-]N=N1)C(C)CC1=CC=C(C(F)(F)F)C=C1	REAL300020170317	0	44	-1.0	-41.10	363.41	7.60	-33.50
CCN(C(=O)CCC1=NN=N[N-]1)C(C)CC1=CC=C(C(F)(F)F)C=C1	REAL300020170317	1	44	-1.0	-41.15	363.46	7.61	-33.54
CC(CC1=CC=CC=C1)N(CC1=CC=CC=C1)C(=O)CCC1=N[N-]N=N1	REAL300020170318	0	48	-1.0	-44.32	373.30	9.68	-34.64
CC(CC1=CC=CC=C1)N(CC1=CC=CC=C1)C(=O)CCC1=NN=N[N-]1	REAL300020170318	1	48	-1.0	-44.35	373.36	9.70	-34.65
CC1(CC2=CC=CC=C2C(F)(F)F)CCCN1C(=O)CCC1=N[N-]N=N1	REAL300020170319	0	45	-1.0	-46.31	354.19	7.35	-38.96
CC1(CC2=CC=CC=C2C(F)(F)F)CCCN1C(=O)CCC1=NN=N[N-]1	REAL300020170319	1	45	-1.0	-46.32	354.25	7.36	-38.96
N#CC1=CN(CCNC(=O)CCC2=N[N-]N=N2)C(=O)[N-]C1=O	REAL300020170320	0	32	-2.0	-91.43	304.98	-2.35	-93.78
N#CC1=CN(CCNC(=O)CCC2=NN=N[N-]2)C(=O)[N-]C1=O	REAL300020170320	1	32	-2.0	-91.40	305.04	-2.34	-93.74
COC1=C(O)C2=CC=CC=C2C(NC(=O)CCC2=N[N-]N=N2)=C1	REAL300020170321	0	37	-1.0	-42.47	314.05	2.21	-40.26
COC1=C(O)C2=CC=CC=C2C(NC(=O)CCC2=NN=N[N-]2)=C1	REAL300020170321	1	37	-1.0	-42.43	314.10	2.22	-40.21
CC1(C)CCC2=CC=CC(NC(=O)CCC3=N[N-]N=N3)=C2O1	REAL300020170322	0	40	-1.0	-41.69	321.24	4.54	-37.15
CC1(C)CCC2=CC=CC(NC(=O)CCC3=NN=N[N-]3)=C2O1	REAL300020170322	1	40	-1.0	-41.68	321.30	4.56	-37.12
O=C(CCC1=N[N-]N=N1)NNC1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300020170323	0	42	-1.0	-40.41	359.69	5.47	-34.94
O=C(CCC1=NN=N[N-]1)NNC1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300020170323	1	42	-1.0	-40.42	359.75	5.49	-34.93
O=C(CCC1=N[N-]N=N1)NC1C2CC3=CC(Cl)=CC=C3C21	REAL300020170324	0	34	-1.0	-39.35	303.83	5.40	-33.95
O=C(CCC1=NN=N[N-]1)NC1C2CC3=CC(Cl)=CC=C3C21	REAL300020170324	1	34	-1.0	-39.39	303.88	5.41	-33.98
O=C(CCC1=N[N-]N=N1)NCC1=CC=CC(COCC2CCCO2)=C1	REAL300020170325	0	47	-1.0	-43.39	391.47	3.77	-39.62
O=C(CCC1=NN=N[N-]1)NCC1=CC=CC(COCC2CCCO2)=C1	REAL300020170325	1	47	-1.0	-43.43	391.53	3.78	-39.65
O=C(CCC1=N[N-]N=N1)NCC1CC[N@@H+]1CC1=CC=CC=C1	REAL300020170326	0	42	0.0	-63.37	342.09	5.25	-58.12
O=C(CCC1=N[N-]N=N1)NCC1CC[N@H+]1CC1=CC=CC=C1	REAL300020170326	1	42	0.0	-61.14	340.81	4.68	-56.46
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O=C(CCC1=NN=N[N-]1)NCC1CC[N@H+]1CC1=CC=CC=C1	REAL300020170326	1	41	-1.0	-41.00	336.33	2.16	-38.84
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COC1=CC(NC(=O)CCC2=N[N-]N=N2)=C(Cl)C=C1Br	REAL300020170381	0	30	-1.0	-36.65	295.47	3.16	-33.49
COC1=CC(NC(=O)CCC2=NN=N[N-]2)=C(Cl)C=C1Br	REAL300020170381	1	30	-1.0	-36.66	295.53	3.17	-33.49
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COC(=O)C(C1=CC=CC(Cl)=C1Cl)N(C)C(=O)CCC1=N[N-]N=N1	REAL300020170383	0	38	-1.0	-43.58	351.29	6.30	-37.28
COC(=O)C(C1=CC=CC(Cl)=C1Cl)N(C)C(=O)CCC1=NN=N[N-]1	REAL300020170383	1	38	-1.0	-43.54	351.36	6.31	-37.23
CC1=CC=C2CN(C(=O)CCC3=N[N-]N=N3)CC2=C1Br	REAL300020170384	0	33	-1.0	-40.11	299.41	5.39	-34.72
CC1=CC=C2CN(C(=O)CCC3=NN=N[N-]3)CC2=C1Br	REAL300020170384	1	33	-1.0	-40.12	299.46	5.41	-34.71
COC(=O)C1N(C(=O)CCC2=N[N-]N=N2)CC12CCOCC2	REAL300020170385	0	40	-1.0	-43.66	330.48	2.88	-40.78
COC(=O)C1N(C(=O)CCC2=NN=N[N-]2)CC12CCOCC2	REAL300020170385	1	40	-1.0	-43.68	330.54	2.90	-40.78
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NC(=O)C1=CC(F)=CC=C1N1CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020170386	1	42	-1.0	-43.50	346.77	1.99	-41.51
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CC[N@@H+](C)CC1=CC(OC2CCN(C(=O)CCC3=N[N-]N=N3)C2)=CC=N1	REAL300020170387	1	51	0.0	-63.77	402.52	5.33	-58.44
CC[N@H+](C)CC1=CC(OC2CCN(C(=O)CCC3=NN=N[N-]3)C2)=CC=N1	REAL300020170387	1	51	0.0	-63.87	402.54	5.71	-58.16
CC[N@@H+](C)CC1=CC(OC2CCN(C(=O)CCC3=NN=N[N-]3)C2)=CC=N1	REAL300020170387	1	51	0.0	-63.77	402.52	5.33	-58.44
CC(C)[N@H+](C)CC1=CC(OC2CCN(C(=O)CCC3=N[N-]N=N3)C2)=CC=N1	REAL300020170388	0	54	0.0	-61.89	419.22	6.23	-55.66
CC(C)[N@@H+](C)CC1=CC(OC2CCN(C(=O)CCC3=N[N-]N=N3)C2)=CC=N1	REAL300020170388	1	54	0.0	-62.27	419.24	5.84	-56.43
CC(C)[N@H+](C)CC1=CC(OC2CCN(C(=O)CCC3=NN=N[N-]3)C2)=CC=N1	REAL300020170388	1	54	0.0	-61.89	419.22	6.23	-55.66
CC(C)[N@@H+](C)CC1=CC(OC2CCN(C(=O)CCC3=NN=N[N-]3)C2)=CC=N1	REAL300020170388	1	54	0.0	-62.27	419.24	5.84	-56.43
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CC(CN(C)C(=O)OC(C)(C)C)NC(=O)CCC1=N[N-]N=N1	REAL300020170394	0	45	-1.0	-42.65	358.64	3.24	-39.41
CC(CN(C)C(=O)OC(C)(C)C)NC(=O)CCC1=NN=N[N-]1	REAL300020170394	1	45	-1.0	-42.67	358.69	3.26	-39.41
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CC(C)CN(CC1=CC=CC(Cl)=C1)C(=O)CCC1=NN=N[N-]1	REAL300020170397	1	41	-1.0	-38.82	347.85	7.54	-31.28
CC1(CNC(=O)CCC2=N[N-]N=N2)COC2=CC=CC=C2O1	REAL300020170398	0	38	-1.0	-41.37	316.65	2.68	-38.69
CC1(CNC(=O)CCC2=NN=N[N-]2)COC2=CC=CC=C2O1	REAL300020170398	1	38	-1.0	-41.34	316.71	2.70	-38.64
CC(C)(C)OC(=O)C1(NC(=O)CCC2=N[N-]N=N2)CCOCC1	REAL300020170399	0	45	-1.0	-39.82	346.93	3.66	-36.16
CC(C)(C)OC(=O)C1(NC(=O)CCC2=NN=N[N-]2)CCOCC1	REAL300020170399	1	45	-1.0	-39.81	346.99	3.67	-36.14
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NS(=O)(=O)C1=CC(CNC(=O)CCC2=NN=N[N-]2)=CC=C1F	REAL300020170401	1	34	-1.0	-46.32	317.37	-2.28	-48.60
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O=C(CCC1=N[N-]N=N1)NC1=NN=C(CC2=CC=C(F)C=C2)S1	REAL300020170402	1	34	-1.0	-47.48	322.77	4.53	-42.95
CC(C)C(O)C(NC(=O)CCC1=N[N-]N=N1)C1=CC=CC=C1	REAL300020170403	0	42	-1.0	-40.00	336.15	3.52	-36.48
CC(C)C(O)C(NC(=O)CCC1=NN=N[N-]1)C1=CC=CC=C1	REAL300020170403	1	42	-1.0	-39.97	336.21	3.53	-36.44
CC(C)(C)OC(=O)C(C)(C)N1C=CC(NC(=O)CCC2=NN=N[N-]2)=N1	REAL300020170404	0	47	-1.0	-47.21	380.04	5.54	-41.67
CC(C)(C)OC(=O)C(C)(C)N1C=CC(NC(=O)CCC2=N[N-]N=N2)=N1	REAL300020170404	1	47	-1.0	-47.19	379.98	5.52	-41.67
O=C(CCC1=N[N-]N=N1)NC[C@@H]1CC(=O)N(C2CC2)[C@H]1C1=CC=NC=C1	REAL300020170405	0	46	-1.0	-44.45	379.97	3.91	-40.54
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O=C(CCC1=N[N-]N=N1)NCC(N1C=CC=N1)C(F)(F)F	REAL300020170406	1	32	-1.0	-40.75	289.77	1.78	-38.97
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O=C(CCC1=NN=N[N-]1)NCCC=CC1=CC=C(Br)C=C1	REAL300020170407	1	36	-1.0	-40.44	331.48	5.40	-35.04
O=C(CCC1=N[N-]N=N1)NCC(O)C1=CC(F)=C(F)C(F)=C1	REAL300020170408	0	33	-1.0	-42.72	305.55	0.58	-42.14
O=C(CCC1=NN=N[N-]1)NCC(O)C1=CC(F)=C(F)C(F)=C1	REAL300020170408	1	33	-1.0	-42.73	305.61	0.59	-42.14
NC(=O)C1=CC=CC2=C1CCN(C(=O)CCC1=N[N-]N=N1)C2	REAL300020170409	0	37	-1.0	-46.28	302.71	1.76	-44.52
NC(=O)C1=CC=CC2=C1CCN(C(=O)CCC1=NN=N[N-]1)C2	REAL300020170409	1	37	-1.0	-46.29	302.76	1.78	-44.51
O=C(CCC1=N[N-]N=N1)NC(C1=CC=NC=C1)C1(CO)CCC1	REAL300020170410	0	42	-1.0	-41.24	332.47	0.99	-40.25
O=C(CCC1=NN=N[N-]1)NC(C1=CC=NC=C1)C1(CO)CCC1	REAL300020170410	1	42	-1.0	-41.25	332.53	1.01	-40.24
O=C(CCC1=N[N-]N=N1)N1CCOC2=CC(Br)=CC=C2C1	REAL300020170411	0	34	-1.0	-38.41	303.77	4.59	-33.82
O=C(CCC1=NN=N[N-]1)N1CCOC2=CC(Br)=CC=C2C1	REAL300020170411	1	34	-1.0	-38.38	303.83	4.60	-33.78
COC1=NC(C)=CC(C)=C1CN(C)C(=O)CCC1=N[N-]N=N1	REAL300020170412	0	41	-1.0	-45.45	330.78	3.62	-41.83
COC1=NC(C)=CC(C)=C1CN(C)C(=O)CCC1=NN=N[N-]1	REAL300020170412	1	41	-1.0	-45.44	330.84	3.63	-41.81
O=C(CCC1=NN=N[N-]1)NC1=CC=C(OC2=CC=CN=N2)C=C1	REAL300020170413	0	35	-1.0	-47.71	312.70	1.70	-46.01
O=C(CCC1=N[N-]N=N1)NC1=CC=C(OC2=CC=CN=N2)C=C1	REAL300020170413	1	35	-1.0	-47.71	312.64	1.68	-46.03
C[NH+](C)CC1COC2(CCCC2)CN1C(=O)CCC1=N[N-]N=N1	REAL300020170414	0	49	0.0	-54.47	355.78	4.86	-49.61
C[NH+](C)CC1COC2(CCCC2)CN1C(=O)CCC1=NN=N[N-]1	REAL300020170414	1	49	0.0	-54.49	355.84	4.87	-49.62
COC1=CC=C(C2(NC(=O)CCC3=N[N-]N=N3)CCOCC2)C=C1	REAL300020170415	0	44	-1.0	-42.15	344.54	3.04	-39.11
COC1=CC=C(C2(NC(=O)CCC3=NN=N[N-]3)CCOCC2)C=C1	REAL300020170415	1	44	-1.0	-42.14	344.60	3.05	-39.09
CC(C)N1C=C(C2N(C(=O)CCC3=NN=N[N-]3)CC23CCOCC3)C=N1	REAL300020170416	0	50	-1.0	-47.78	393.04	4.45	-43.33
CC(C)N1C=C(C2N(C(=O)CCC3=N[N-]N=N3)CC23CCOCC3)C=N1	REAL300020170416	1	50	-1.0	-47.77	392.98	4.44	-43.33
CC(C)CN1C=C(C2N(C(=O)CCC3=NN=N[N-]3)CC23CCOCC3)C=N1	REAL300020170417	0	53	-1.0	-43.94	413.47	5.70	-38.24
CC(C)CN1C=C(C2N(C(=O)CCC3=N[N-]N=N3)CC23CCOCC3)C=N1	REAL300020170417	1	53	-1.0	-43.90	413.41	5.69	-38.21
CC(C)(C)N1C=C(C2N(C(=O)CCC3=NN=N[N-]3)CC23CCOCC3)C=N1	REAL300020170418	0	53	-1.0	-47.79	412.81	5.09	-42.70
CC(C)(C)N1C=C(C2N(C(=O)CCC3=N[N-]N=N3)CC23CCOCC3)C=N1	REAL300020170418	1	53	-1.0	-47.80	412.75	5.08	-42.72
O=C(CCC1=N[N-]N=N1)NCCC1=NSC2=CC=CC=C21	REAL300020170419	0	34	-1.0	-44.50	309.84	3.48	-41.02
O=C(CCC1=NN=N[N-]1)NCCC1=NSC2=CC=CC=C21	REAL300020170419	1	34	-1.0	-44.48	309.90	3.49	-40.99
O=C(CCC1=N[N-]N=N1)NCC1=CC=CC2=C1OC(F)(F)O2	REAL300020170420	0	32	-1.0	-43.40	297.15	1.79	-41.61
O=C(CCC1=NN=N[N-]1)NCC1=CC=CC2=C1OC(F)(F)O2	REAL300020170420	1	32	-1.0	-43.40	297.21	1.80	-41.60
CCOC(=O)CC1(NC(=O)CCC2=N[N-]N=N2)CCOCC1	REAL300020170421	0	42	-1.0	-40.09	332.36	2.91	-37.18
CCOC(=O)CC1(NC(=O)CCC2=NN=N[N-]2)CCOCC1	REAL300020170421	1	42	-1.0	-40.08	332.42	2.93	-37.15
CC(C)(C)OC(=O)C1(CNC(=O)CCC2=N[N-]N=N2)CCC1	REAL300020170422	0	44	-1.0	-39.57	349.39	4.76	-34.81
CC(C)(C)OC(=O)C1(CNC(=O)CCC2=NN=N[N-]2)CCC1	REAL300020170422	1	44	-1.0	-39.58	349.45	4.78	-34.80
CC(C)(C)OC(=O)NC12CCCC1CN(C(=O)CCC1=N[N-]N=N1)C2	REAL300020170423	0	50	-1.0	-44.94	383.70	3.21	-41.73
CC(C)(C)OC(=O)NC12CCCC1CN(C(=O)CCC1=NN=N[N-]1)C2	REAL300020170423	1	50	-1.0	-44.90	383.76	3.22	-41.68
CN1N=CC(C(F)(F)F)=C1CNC(=O)CCC1=N[N-]N=N1	REAL300020170424	0	32	-1.0	-40.16	297.40	1.23	-38.93
CN1N=CC(C(F)(F)F)=C1CNC(=O)CCC1=NN=N[N-]1	REAL300020170424	1	32	-1.0	-40.14	297.45	1.25	-38.89
CC(C)CN(CC1=CC=CC(C(F)(F)F)=C1)C(=O)CCC1=N[N-]N=N1	REAL300020170425	0	44	-1.0	-44.31	366.48	7.92	-36.39
CC(C)CN(CC1=CC=CC(C(F)(F)F)=C1)C(=O)CCC1=NN=N[N-]1	REAL300020170425	1	44	-1.0	-44.34	366.54	7.94	-36.40
CC(C)CN(CC1=CC=C(F)C(Cl)=C1)C(=O)CCC1=N[N-]N=N1	REAL300020170426	0	41	-1.0	-39.23	353.64	7.57	-31.66
CC(C)CN(CC1=CC=C(F)C(Cl)=C1)C(=O)CCC1=NN=N[N-]1	REAL300020170426	1	41	-1.0	-39.22	353.71	7.59	-31.63
C[C@@H]1CCN(C(=O)CCC2=N[N-]N=N2)C[C@@H]1[N-]C(=O)C(F)(F)F	REAL300020170427	0	39	-1.0	-43.42	330.50	2.61	-40.81
C[C@@H]1CCN(C(=O)CCC2=N[N-]N=N2)C[C@@H]1NC(=O)C(F)(F)F	REAL300020170427	1	38	-2.0	-89.21	326.40	1.21	-88.00
C[C@@H]1CCN(C(=O)CCC2=NN=N[N-]2)C[C@@H]1NC(=O)C(F)(F)F	REAL300020170427	1	39	-1.0	-43.42	330.50	2.61	-40.81
C[C@@H]1CCN(C(=O)CCC2=NN=N[N-]2)C[C@@H]1[N-]C(=O)C(F)(F)F	REAL300020170427	1	38	-2.0	-89.21	326.40	1.21	-88.00
COC1=CC=CC=C1C1=NOC(CNC(=O)CCC2=NN=N[N-]2)=C1	REAL300020170428	0	39	-1.0	-44.59	339.91	3.43	-41.16
COC1=CC=CC=C1C1=NOC(CNC(=O)CCC2=N[N-]N=N2)=C1	REAL300020170428	1	39	-1.0	-44.60	339.85	3.42	-41.18
COC(=O)C1=CN=C(C2CCCN(C(=O)CCC3=N[N-]N=N3)C2)S1	REAL300020170429	0	41	-1.0	-42.54	357.54	4.34	-38.20
COC(=O)C1=CN=C(C2CCCN(C(=O)CCC3=NN=N[N-]3)C2)S1	REAL300020170429	1	41	-1.0	-42.50	357.60	4.35	-38.15
COCCOCCOCCCCNC(=O)CCC1=N[N-]N=N1	REAL300020170430	0	46	-1.0	-44.30	385.31	0.85	-43.45
COCCOCCOCCCCNC(=O)CCC1=NN=N[N-]1	REAL300020170430	1	46	-1.0	-44.31	385.36	0.86	-43.45
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CCN(CCOC1=CC=CC=C1OC)C(=O)CCC1=N[N-]N=N1	REAL300020170435	0	43	-1.0	-49.02	353.84	5.27	-43.75
CCN(CCOC1=CC=CC=C1OC)C(=O)CCC1=NN=N[N-]1	REAL300020170435	1	43	-1.0	-49.05	353.90	5.29	-43.76
CC(C)C(NC(=O)CCC1=N[N-]N=N1)C(O)C1=CC=C(Cl)C=C1	REAL300020170436	0	42	-1.0	-40.35	342.83	2.88	-37.47
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CC(C)(C)OC(=O)C(C)(NC(=O)CCC1=NN=N[N-]1)C1=CC=CC=C1	REAL300020170447	1	47	-1.0	-42.70	375.10	6.19	-36.51
CC1(C)C[N@H+](CC2=CC=CC=C2)C(C)(C)CN1C(=O)CCC1=N[N-]N=N1	REAL300020170449	0	54	0.0	-57.45	389.54	8.50	-48.95
CC1(C)C[N@@H+](CC2=CC=CC=C2)C(C)(C)CN1C(=O)CCC1=N[N-]N=N1	REAL300020170449	1	54	0.0	-57.40	389.41	8.53	-48.87
CC1(C)C[N@H+](CC2=CC=CC=C2)C(C)(C)CN1C(=O)CCC1=NN=N[N-]1	REAL300020170449	1	54	0.0	-57.45	389.54	8.50	-48.95
CC1(C)C[N@@H+](CC2=CC=CC=C2)C(C)(C)CN1C(=O)CCC1=NN=N[N-]1	REAL300020170449	1	54	0.0	-57.40	389.41	8.53	-48.87
O=C(CCC1=NN=N[N-]1)NC1=CC(C2=CC=CN=C2)=NN1CCO	REAL300020170450	0	39	-1.0	-43.18	339.65	0.56	-42.62
O=C(CCC1=N[N-]N=N1)NC1=CC(C2=CC=CN=C2)=NN1CCO	REAL300020170450	1	39	-1.0	-43.16	339.59	0.54	-42.62
CC(C)N1N=NN=C1C1=CC=CC(NC(=O)CCC2=N[N-]N=N2)=C1	REAL300020170451	0	40	-1.0	-52.59	340.39	3.46	-49.13
CC(C)N1N=NN=C1C1=CC=CC(NC(=O)CCC2=NN=N[N-]2)=C1	REAL300020170451	1	40	-1.0	-52.58	340.45	3.48	-49.10
CSC1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1Br	REAL300020170452	0	30	-1.0	-42.24	291.15	4.14	-38.10
CSC1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1Br	REAL300020170452	1	30	-1.0	-42.23	291.21	4.15	-38.08
O=C(CCC1=N[N-]N=N1)NC1=CC(Cl)=C(Br)C=C1F	REAL300020170453	0	26	-1.0	-36.58	273.52	3.76	-32.82
O=C(CCC1=NN=N[N-]1)NC1=CC(Cl)=C(Br)C=C1F	REAL300020170453	1	26	-1.0	-36.58	273.57	3.78	-32.80
O=C(CCC1=NN=N[N-]1)NC1=CSC(C2=CC=C(Br)C=C2)=N1	REAL300020170454	0	32	-1.0	-44.00	319.39	5.39	-38.61
O=C(CCC1=N[N-]N=N1)NC1=CSC(C2=CC=C(Br)C=C2)=N1	REAL300020170454	1	32	-1.0	-43.98	319.33	5.37	-38.61
COC(=O)C1=C(Br)C2=C(CN(C(=O)CCC3=N[N-]N=N3)C2)S1	REAL300020170455	0	33	-1.0	-41.17	324.03	4.60	-36.57
COC(=O)C1=C(Br)C2=C(CN(C(=O)CCC3=NN=N[N-]3)C2)S1	REAL300020170455	1	33	-1.0	-41.15	324.09	4.61	-36.54
COC(=O)C(C)(C)N1C=C(NC(=O)CCC2=NN=N[N-]2)C=N1	REAL300020170456	0	38	-1.0	-44.00	326.42	2.31	-41.69
COC(=O)C(C)(C)N1C=C(NC(=O)CCC2=N[N-]N=N2)C=N1	REAL300020170456	1	38	-1.0	-43.97	326.37	2.30	-41.67
CN(C1=CC=CC=C1)C1CCN(C(=O)CCC2=N[N-]N=N2)C1	REAL300020170457	0	41	-1.0	-40.50	326.30	5.32	-35.18
CN(C1=CC=CC=C1)C1CCN(C(=O)CCC2=NN=N[N-]2)C1	REAL300020170457	1	41	-1.0	-40.48	326.36	5.34	-35.14
COC(=O)C1=C(NC(=O)CCC2=N[N-]N=N2)N=C2CCCN21	REAL300020170458	0	36	-1.0	-49.89	312.09	4.15	-45.74
COC(=O)C1=C(NC(=O)CCC2=NN=N[N-]2)N=C2CCCN21	REAL300020170458	1	36	-1.0	-49.87	312.15	4.17	-45.70
CC1=CC(NC(=O)CCC2=NN=N[N-]2)=CN=C1C(F)(F)F	REAL300020170459	0	31	-1.0	-38.62	282.39	2.45	-36.17
CC1=CC(NC(=O)CCC2=N[N-]N=N2)=CN=C1C(F)(F)F	REAL300020170459	1	31	-1.0	-38.65	282.33	2.44	-36.21
CC(C)(C)OC(=O)N1CC2(C1)CCCCCN2C(=O)CCC1=N[N-]N=N1	REAL300020170460	0	53	-1.0	-44.10	394.02	5.47	-38.63
CC(C)(C)OC(=O)N1CC2(C1)CCCCCN2C(=O)CCC1=NN=N[N-]1	REAL300020170460	1	53	-1.0	-44.09	394.07	5.49	-38.60
CC(C)(C)[Si](C)(C)OC1CCN(C(=O)CCC2=N[N-]N=N2)C1	REAL300020170461	0	48	-1.0	-40.13	379.72	6.67	-33.46
CC(C)(C)[Si](C)(C)OC1CCN(C(=O)CCC2=NN=N[N-]2)C1	REAL300020170461	1	48	-1.0	-40.13	379.78	6.68	-33.45
CC(C)C[NH2+]C1(CO)CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300020170462	0	48	0.0	-67.01	352.63	1.40	-65.61
CC(C)C[NH2+]C1(CO)CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020170462	1	48	0.0	-67.05	352.68	1.41	-65.64
NC(=O)C1=NC2=CC(NC(=O)CCC3=NN=N[N-]3)=CC=C2O1	REAL300020170463	0	32	-1.0	-52.14	292.40	-3.72	-55.86
NC(=O)C1=NC2=CC(NC(=O)CCC3=N[N-]N=N3)=CC=C2O1	REAL300020170463	1	32	-1.0	-52.16	292.35	-3.73	-55.89
CN(C)S(C)(=O)=NC(=O)C1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1	REAL300020170464	0	43	-1.0	-52.22	375.39	1.00	-51.22
CN(C)S(C)(=O)=NC(=O)C1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1	REAL300020170464	1	43	-1.0	-52.20	375.44	1.02	-51.18
O=C(CCC1=N[N-]N=N1)NC1=CC=C(C2NC(=O)NC2=O)C=C1	REAL300020170465	0	35	-1.0	-45.17	311.57	-1.17	-46.34
O=C(CCC1=NN=N[N-]1)NC1=CC=C(C2NC(=O)NC2=O)C=C1	REAL300020170465	1	35	-1.0	-45.22	311.62	-1.16	-46.38
O=C(CCC1=N[N-]N=N1)N1CCC(C2=NC=CC(N3CCOCC3)=N2)CC1	REAL300020170466	0	50	-1.0	-44.05	391.19	3.26	-40.79
O=C(CCC1=NN=N[N-]1)N1CCC(C2=NC=CC(N3CCOCC3)=N2)CC1	REAL300020170466	1	50	-1.0	-44.05	391.24	3.27	-40.78
O=C(CCC1=N[N-]N=N1)NC1=CC=CC(NC2CCCC2)=C1	REAL300020170467	0	41	-1.0	-40.43	331.74	4.26	-36.17
O=C(CCC1=NN=N[N-]1)NC1=CC=CC(NC2CCCC2)=C1	REAL300020170467	1	41	-1.0	-40.46	331.80	4.27	-36.19
O=C(CCC1=NN=N[N-]1)N1CCC(C2=NC=CC(C3=CC=CC(F)=C3)=N2)CC1	REAL300020170468	0	47	-1.0	-46.05	389.10	7.31	-38.74
O=C(CCC1=N[N-]N=N1)N1CCC(C2=NC=CC(C3=CC=CC(F)=C3)=N2)CC1	REAL300020170468	1	47	-1.0	-46.06	389.05	7.29	-38.77
CC1=C(NC(=O)CCC2=N[N-]N=N2)N2C=C(Cl)C=CC2=N1	REAL300020170469	0	32	-1.0	-41.42	292.76	4.95	-36.47
CC1=C(NC(=O)CCC2=NN=N[N-]2)N2C=C(Cl)C=CC2=N1	REAL300020170469	1	32	-1.0	-41.43	292.82	4.96	-36.47
CC(C)(C)OC(=O)C1CCN(C(=O)CCC2=N[N-]N=N2)C2=CC=CC=C21	REAL300020170470	0	48	-1.0	-41.98	371.87	7.89	-34.09
CC(C)(C)OC(=O)C1CCN(C(=O)CCC2=NN=N[N-]2)C2=CC=CC=C21	REAL300020170470	1	48	-1.0	-41.99	371.93	7.91	-34.08
O=C(CCC1=N[N-]N=N1)NC1=CC=CC(C2=C(Cl)SN=N2)=C1	REAL300020170471	0	31	-1.0	-46.66	304.06	3.09	-43.57
O=C(CCC1=NN=N[N-]1)NC1=CC=CC(C2=C(Cl)SN=N2)=C1	REAL300020170471	1	31	-1.0	-46.73	304.12	3.11	-43.62
O=C(CCC1=NN=N[N-]1)N1CCC(N(C(=O)C(F)(F)F)C2=CC=CN=C2)CC1	REAL300020170472	0	45	-1.0	-45.72	374.73	4.85	-40.87
O=C(CCC1=N[N-]N=N1)N1CCC(N(C(=O)C(F)(F)F)C2=CC=CN=C2)CC1	REAL300020170472	1	45	-1.0	-45.68	374.68	4.84	-40.84
CCN(C(=O)CCC1=N[N-]N=N1)C1CCN(CC(F)(F)F)C1	REAL300020170473	0	40	-1.0	-42.78	323.79	2.83	-39.95
CCN(C(=O)CCC1=NN=N[N-]1)C1CCN(CC(F)(F)F)C1	REAL300020170473	1	40	-1.0	-42.77	323.85	2.85	-39.92
CC(NC(=O)CCC1=N[N-]N=N1)C1=NC2=CC(Cl)=CC=C2N1	REAL300020170474	0	35	-1.0	-42.00	320.13	2.84	-39.16
CC(NC(=O)CCC1=NN=N[N-]1)C1=NC2=CC(Cl)=CC=C2N1	REAL300020170474	1	35	-1.0	-41.97	320.19	2.85	-39.12
CCOC(=O)C1=CNN=C1C1CCN(C(=O)CCC2=N[N-]N=N2)C1	REAL300020170475	0	42	-1.0	-47.76	356.09	3.56	-44.20
CCOC(=O)C1=CNN=C1C1CCN(C(=O)CCC2=NN=N[N-]2)C1	REAL300020170475	1	42	-1.0	-47.73	356.14	3.58	-44.15
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NS(=O)(=O)C1=CC=CC=C1N1CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300020170477	0	43	-1.0	-45.66	360.94	-0.31	-45.97
NS(=O)(=O)C1=CC=CC=C1N1CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020170477	1	43	-1.0	-45.70	361.00	-0.30	-46.00
O=C(CCC1=NN=N[N-]1)NCC1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300020170478	0	41	0.0	-62.73	347.20	3.76	-58.97
O=C(CCC1=N[N-]N=N1)NCC1=CC=C(NC2=CC=[NH+]C=C2)C=C1	REAL300020170478	1	41	0.0	-62.68	347.14	3.75	-58.93
CN1N=CC2=C1CC(C)(C)CN(C(=O)CCC1=N[N-]N=N1)C2	REAL300020170479	0	42	-1.0	-46.03	327.61	4.55	-41.48
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CC(C)(C)OC(=O)[C@@H]1C[C@H](O)CN1C(=O)CCC1=N[N-]N=N1	REAL300020170513	0	42	-1.0	-46.38	339.37	2.09	-44.29
CC(C)(C)OC(=O)[C@@H]1C[C@H](O)CN1C(=O)CCC1=NN=N[N-]1	REAL300020170513	1	42	-1.0	-46.42	339.43	2.10	-44.32
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CC(C)(C)OC(=O)N1CCC(C(F)C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020175997	0	50	-1.0	-42.48	398.40	6.21	-36.27
CC(C)(C)OC(=O)N1CCC(C(F)C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020175997	1	50	-1.0	-42.49	398.45	6.21	-36.28
CC1CN(C2=CC=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C2)CC(C)O1	REAL300020175998	0	49	-1.0	-41.29	386.68	5.77	-35.52
CC1CN(C2=CC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=C2)CC(C)O1	REAL300020175998	1	49	-1.0	-41.25	386.72	5.79	-35.46
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C(=O)C1=CC(Cl)=CC(Cl)=C1	REAL300020175999	0	32	-1.0	-39.15	315.50	6.33	-32.82
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C(=O)C1=CC(Cl)=CC(Cl)=C1	REAL300020175999	1	32	-1.0	-39.16	315.55	6.34	-32.82
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(C2=CNC3=NC=CC3=C2)=CC=N1	REAL300020176000	0	42	-1.0	-51.31	365.54	6.77	-44.54
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(C2=CNC3=NC=CC3=C2)=CC=N1	REAL300020176000	1	42	-1.0	-51.31	365.59	6.78	-44.53
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(C2=CN=C3NC=CC3=C2)=CC=N1	REAL300020176000	1	42	-1.0	-50.27	358.73	6.46	-43.81
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(C2=CN=C3NC=CC3=C2)=CC=N1	REAL300020176000	1	42	-1.0	-50.27	358.78	6.46	-43.81
CC1=NC2=C(Cl)C=CC=C2C=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176001	0	38	-1.0	-39.97	335.42	7.11	-32.86
CC1=NC2=C(Cl)C=CC=C2C=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176001	1	38	-1.0	-39.92	335.46	7.11	-32.81
CN1C(=O)COC2=CC=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C21	REAL300020176002	0	39	-1.0	-40.12	328.63	4.45	-35.67
CN1C(=O)COC2=CC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=C21	REAL300020176002	1	39	-1.0	-40.07	328.67	4.46	-35.61
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC(C(F)F)=C1F	REAL300020176004	0	33	-1.0	-47.16	298.04	6.43	-40.73
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC(C(F)F)=C1F	REAL300020176004	1	33	-1.0	-47.16	298.09	6.44	-40.72
CC1(Br)CC1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176005	0	30	-1.0	-36.01	274.39	5.25	-30.76
CC1(Br)CC1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176005	1	30	-1.0	-35.99	274.43	5.26	-30.73
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN(CC2CCOC2)N=N1	REAL300020176006	0	40	-1.0	-50.59	339.49	2.74	-47.85
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN(CC2CCOC2)N=N1	REAL300020176006	1	40	-1.0	-50.59	339.45	2.74	-47.85
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CC(C2=CC=CC(Cl)=C2F)=NO1	REAL300020176007	0	38	-1.0	-47.29	350.29	7.35	-39.94
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CC(C2=CC=CC(Cl)=C2F)=NO1	REAL300020176007	1	38	-1.0	-47.25	350.33	7.35	-39.90
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(F)=C(Br)C=C1F	REAL300020176008	0	30	-1.0	-37.71	293.02	6.23	-31.48
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(F)=C(Br)C=C1F	REAL300020176008	1	30	-1.0	-37.71	293.06	6.23	-31.48
O=C(CCC1=NN=C(C(F)F)O1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176009	0	34	-1.0	-41.18	312.70	0.15	-41.03
O=C(CCC1=NN=C(C(F)F)O1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176009	1	34	-1.0	-41.16	312.74	0.16	-41.00
CN1N=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C2=CC=CC=C21	REAL300020176010	0	36	-1.0	-49.08	312.05	5.43	-43.65
CN1N=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C2=CC=CC=C21	REAL300020176010	1	36	-1.0	-49.06	312.01	5.43	-43.63
CC1OC(C)C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1C	REAL300020176011	0	40	-1.0	-38.58	309.30	4.67	-33.91
CC1OC(C)C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1C	REAL300020176011	1	40	-1.0	-38.57	309.38	4.69	-33.88
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CCC1C1=CC=C(F)C=C1	REAL300020176012	0	40	-1.0	-38.99	329.24	7.86	-31.13
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CCC1C1=CC=C(F)C=C1	REAL300020176012	1	40	-1.0	-39.00	329.28	7.86	-31.14
CN1C(=O)CN(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1=O	REAL300020176013	0	35	-1.0	-46.69	308.90	3.11	-43.58
CN1C(=O)CN(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1=O	REAL300020176013	1	35	-1.0	-46.69	308.95	3.12	-43.57
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=COC(C(F)F)=C1	REAL300020176014	0	30	-1.0	-40.05	279.47	4.53	-35.52
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=COC(C(F)F)=C1	REAL300020176014	1	30	-1.0	-40.10	279.52	4.53	-35.57
CSCCCCCCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176015	0	42	-1.0	-39.37	356.86	7.53	-31.84
CSCCCCCCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176015	1	42	-1.0	-39.36	356.91	7.53	-31.83
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)[C@@H]1C[C@H]1C1=CSC=C1	REAL300020176016	0	34	-1.0	-39.52	303.78	6.44	-33.08
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)[C@@H]1C[C@H]1C1=CSC=C1	REAL300020176016	1	34	-1.0	-39.49	303.82	6.44	-33.05
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=C2CCCCN2C(C(F)(F)F)=N1	REAL300020176017	0	40	-1.0	-48.80	344.24	6.39	-42.41
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=C2CCCCN2C(C(F)(F)F)=N1	REAL300020176017	1	40	-1.0	-48.83	344.20	6.39	-42.44
CCC1=C(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C2=CC=CC=C2O1	REAL300020176018	0	42	-1.0	-41.46	351.77	7.97	-33.49
CCC1=C(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C2=CC=CC=C2O1	REAL300020176018	1	42	-1.0	-41.49	351.81	7.98	-33.51
O=C(C=CSC1=CC=CC=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176019	0	35	-1.0	-41.37	321.55	7.24	-34.13
O=C(C=CSC1=CC=CC=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176019	1	35	-1.0	-41.33	321.60	7.25	-34.08
CC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C(C)N1C1=CN=CC=N1	REAL300020176020	0	42	-1.0	-46.76	353.37	6.41	-40.35
CC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C(C)N1C1=CN=CC=N1	REAL300020176020	1	42	-1.0	-46.76	353.33	6.41	-40.35
O=C([N-]CC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)O1)C(F)(F)F	REAL300020176021	0	36	-2.0	-89.86	343.62	1.45	-88.41
O=C([N-]CC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)O1)C(F)(F)F	REAL300020176021	1	36	-2.0	-89.83	343.66	1.45	-88.38
C=C(Cl)CC(NC(=O)OC(C)(C)C)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176022	0	47	-1.0	-38.14	385.65	4.51	-33.63
C=C(Cl)CC(NC(=O)OC(C)(C)C)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176022	1	47	-1.0	-38.10	385.69	4.51	-33.59
CC1=CN(C2CCOCC2)N=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176023	0	44	-1.0	-47.19	358.01	4.78	-42.41
CC1=CN(C2CCOCC2)N=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176023	1	44	-1.0	-47.23	357.97	4.78	-42.45
COC1=CC=C(Cl)C(C2=NOC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=C2)=C1	REAL300020176024	0	40	-1.0	-44.29	360.89	6.46	-37.83
COC1=CC=C(Cl)C(C2=NOC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=C2)=C1	REAL300020176024	1	40	-1.0	-44.25	360.84	6.46	-37.79
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=NC(Cl)=C1Cl	REAL300020176025	0	29	-1.0	-35.97	284.76	4.62	-31.35
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=NC(Cl)=C1Cl	REAL300020176025	1	29	-1.0	-35.97	284.72	4.62	-31.35
O=C(CC(O)C(Cl)(Cl)Cl)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176026	0	30	-1.0	-36.97	300.91	3.23	-33.74
O=C(CC(O)C(Cl)(Cl)Cl)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176026	1	30	-1.0	-36.97	300.95	3.23	-33.74
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN=C(C2CC2)NC1=O	REAL300020176027	0	36	-1.0	-53.36	310.51	4.12	-49.24
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN=C(C2CC2)NC1=O	REAL300020176027	1	36	-1.0	-53.33	310.60	4.13	-49.20
O=C(CC1C(=O)N=CNC1=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176028	0	33	-1.0	-53.23	288.93	2.12	-51.11
O=C(CC1C(=O)N=CNC1=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176028	1	33	-1.0	-53.17	288.98	2.12	-51.05
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(Cl)=C(F)C([N+](=O)[O-])=C1	REAL300020176029	0	32	-1.0	-34.15	310.35	6.67	-27.48
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(Cl)=C(F)C([N+](=O)[O-])=C1	REAL300020176029	1	32	-1.0	-34.18	310.40	6.67	-27.51
CC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1C(F)(F)F	REAL300020176030	0	36	-1.0	-38.14	315.85	7.00	-31.14
CC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1C(F)(F)F	REAL300020176030	1	36	-1.0	-38.12	315.89	7.00	-31.12
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(OCC2=CC=CC=C2)=CS1	REAL300020176031	0	41	-1.0	-40.81	365.89	7.79	-33.02
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(OCC2=CC=CC=C2)=CS1	REAL300020176031	1	41	-1.0	-40.75	365.93	7.79	-32.96
CCOC1=CC=CC(CCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020176032	0	43	-1.0	-41.14	357.88	7.17	-33.97
CCOC1=CC=CC(CCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020176032	1	43	-1.0	-41.13	357.93	7.17	-33.96
CCN(C(=O)OC(C)(C)C)C(C)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176033	0	49	-1.0	-40.28	383.52	6.22	-34.06
CCN(C(=O)OC(C)(C)C)C(C)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176033	1	49	-1.0	-40.22	383.55	6.22	-34.00
CC1=CN2CCC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)CC2=N1	REAL300020176034	0	40	-1.0	-43.55	327.67	6.19	-37.36
CC1=CN2CCC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)CC2=N1	REAL300020176034	1	40	-1.0	-43.53	327.71	6.19	-37.34
CC1=C(F)C=C(S(N)(=O)=O)C=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176035	0	38	-1.0	-46.46	336.62	1.15	-45.31
CC1=C(F)C=C(S(N)(=O)=O)C=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176035	1	38	-1.0	-46.42	336.67	1.16	-45.26
O=C(CC1=C2CCCCN2N=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176036	0	40	-1.0	-41.78	328.84	5.52	-36.26
O=C(CC1=C2CCCCN2N=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176036	1	40	-1.0	-41.72	328.88	5.52	-36.20
CC1=CN2C=C(CC(=O)NC3=CC=CC=C3C3=N[N-]N=N3)N=C2S1	REAL300020176037	0	36	-1.0	-47.21	323.58	6.76	-40.45
C[N@@H+]1CCCC(O)(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020176038	0	43	0.0	-50.30	321.33	3.91	-46.39
C[N@H+]1CCCC(O)(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020176038	1	43	0.0	-54.67	318.43	4.05	-50.62
C[N@@H+]1CCCC(O)(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020176038	1	43	0.0	-50.31	321.27	3.91	-46.40
C[N@H+]1CCCC(O)(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020176038	1	43	0.0	-54.70	318.36	4.04	-50.66
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(C2=CC=CC(Cl)=C2F)=NO1	REAL300020176039	0	36	-1.0	-41.83	339.65	6.95	-34.88
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(C2=CC=CC(Cl)=C2F)=NO1	REAL300020176039	1	36	-1.0	-41.81	339.61	6.94	-34.87
COC(=O)C=CC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020176040	0	40	-1.0	-42.15	348.41	7.40	-34.75
COC(=O)C=CC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020176040	1	40	-1.0	-42.15	348.46	7.40	-34.75
COC1=CN=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1C	REAL300020176041	0	36	-1.0	-41.07	299.78	3.69	-37.38
COC1=CN=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1C	REAL300020176041	1	36	-1.0	-41.05	299.94	3.69	-37.36
O=C(CC1CC2=CC=CC=C2O1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176042	0	38	-1.0	-44.50	321.06	6.28	-38.22
O=C(CC1CC2=CC=CC=C2O1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176042	1	38	-1.0	-44.46	321.11	6.28	-38.18
CSC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=C1Br	REAL300020176043	0	34	-1.0	-37.68	320.84	7.04	-30.64
CSC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC=C1Br	REAL300020176043	1	34	-1.0	-37.69	320.88	7.05	-30.64
CC(C)(C)OC(=O)CN1C=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)N=N1	REAL300020176044	0	44	-1.0	-54.92	372.39	4.84	-50.08
CC(C)(C)OC(=O)CN1C=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)N=N1	REAL300020176044	1	44	-1.0	-54.92	372.34	4.84	-50.08
CC(C)(C)OC(=O)C1=CC=CC=C1CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176045	0	48	-1.0	-47.84	387.78	8.57	-39.27
CC(C)(C)OC(=O)C1=CC=CC=C1CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176045	1	48	-1.0	-47.88	387.84	8.56	-39.32
O=C(CC1=CC=C(O)C(Cl)=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176046	0	34	-1.0	-39.60	312.18	3.83	-35.77
O=C(CC1=CC=C(O)C(Cl)=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176046	1	34	-1.0	-39.52	312.23	3.83	-35.69
O=C(C=CC1=CC=CC=C1OCC1=CC=CC=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176047	0	48	-1.0	-44.87	406.13	10.02	-34.85
O=C(C=CC1=CC=CC=C1OCC1=CC=CC=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176047	1	48	-1.0	-44.81	406.18	10.02	-34.79
CC1=CC(C)=C(C=CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1C	REAL300020176048	0	43	-1.0	-41.47	351.90	8.39	-33.08
CC1=CC(C)=C(C=CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1C	REAL300020176048	1	43	-1.0	-41.48	351.94	8.39	-33.09
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O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1C2CC3=CC(Br)=CC=C3C21	REAL300020176051	1	38	-1.0	-38.86	334.04	8.55	-30.31
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)[C@@H]1C[C@H]1C1=C(F)C=CC=C1Cl	REAL300020176052	0	37	-1.0	-41.67	329.81	7.87	-33.80
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CC(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)N1C=CC(C(F)(F)F)=N1	REAL300020176053	0	36	-1.0	-42.36	326.07	5.04	-37.32
CC(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)N1C=CC(C(F)(F)F)=N1	REAL300020176053	1	36	-1.0	-42.40	326.03	5.04	-37.36
CC1=CC=CC(COC(C)C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020176054	0	43	-1.0	-41.56	361.45	7.82	-33.74
CC1=CC=CC(COC(C)C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020176054	1	43	-1.0	-41.55	361.50	7.82	-33.73
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CC(C)(C)OC(=O)N1CCCC(C=CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020176057	0	54	-1.0	-44.36	425.96	7.74	-36.62
CC(C)(C)OC(=O)N1CCCC(C=CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020176057	1	54	-1.0	-45.88	424.98	7.71	-38.17
COC(=O)C1=COC(C=CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020176058	0	37	-1.0	-44.10	335.41	5.57	-38.53
COC(=O)C1=COC(C=CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020176058	1	37	-1.0	-44.09	335.45	5.57	-38.52
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O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN(CC2CCCC2)N=C1	REAL300020176059	1	43	-1.0	-43.11	353.19	6.76	-36.35
COCCN1C=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=N1	REAL300020176060	0	37	-1.0	-42.36	321.78	3.14	-39.22
COCCN1C=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=N1	REAL300020176060	1	37	-1.0	-42.40	321.74	3.14	-39.26
COCCN1N=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1C	REAL300020176061	0	40	-1.0	-42.46	337.58	3.62	-38.84
COCCN1N=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1C	REAL300020176061	1	40	-1.0	-42.40	337.62	3.63	-38.77
CC(=O)N1CCC[C@@H]1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176062	0	37	-1.0	-51.95	304.10	4.99	-46.96
CC(=O)N1CCC[C@@H]1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176062	1	37	-1.0	-51.96	304.14	5.00	-46.96
CC1(C)[C@H](C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)[C@H]1C1=CC=CC=C1	REAL300020176063	0	43	-1.0	-40.69	348.21	8.37	-32.32
CC1(C)[C@H](C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)[C@H]1C1=CC=CC=C1	REAL300020176063	1	43	-1.0	-40.71	348.40	8.38	-32.33
COC1=CC(C)=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1C	REAL300020176064	0	40	-1.0	-41.44	326.70	6.21	-35.23
COC1=CC(C)=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1C	REAL300020176064	1	40	-1.0	-41.47	326.75	6.21	-35.26
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CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)OC(CNC(=O)OC(C)(C)C)=C1	REAL300020176066	0	50	-1.0	-45.74	411.02	4.79	-40.95
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)OC(CNC(=O)OC(C)(C)C)=C1	REAL300020176066	1	50	-1.0	-45.76	411.06	4.79	-40.97
CC(C)(C)OC(=O)NCC1=NC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=N1	REAL300020176067	0	48	-1.0	-39.31	399.78	3.12	-36.19
CC(C)(C)OC(=O)NCC1=NC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=N1	REAL300020176067	1	48	-1.0	-39.33	399.83	3.12	-36.21
O=C(CC1(C2=CC=CC=C2)CC1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176068	0	40	-1.0	-40.06	330.00	7.92	-32.14
O=C(CC1(C2=CC=CC=C2)CC1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176068	1	40	-1.0	-40.08	330.08	7.92	-32.16
O=C(CC1=COC2=CC(Cl)=CC=C12)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176069	0	36	-1.0	-39.29	329.68	7.01	-32.28
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CCC1=C2C=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)NC2=CC=C1	REAL300020176070	0	40	-1.0	-40.28	337.70	6.81	-33.47
CCC1=C2C=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)NC2=CC=C1	REAL300020176070	1	40	-1.0	-40.26	337.74	6.82	-33.44
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)[C@@H]1OCCO[C@@H]1C(F)(F)F	REAL300020176071	0	35	-1.0	-41.52	293.40	3.51	-38.01
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)[C@@H]1OCCO[C@@H]1C(F)(F)F	REAL300020176071	1	35	-1.0	-41.52	293.39	3.50	-38.02
O=C(CCC1=CC=C(F)C2=CC=CC=C12)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176072	0	42	-1.0	-39.51	354.54	9.09	-30.42
O=C(CCC1=CC=C(F)C2=CC=CC=C12)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176072	1	42	-1.0	-39.46	354.58	9.09	-30.37
CCOC(=O)C1(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CCOCC1	REAL300020176073	0	46	-1.0	-41.48	361.82	5.61	-35.87
CCOC(=O)C1(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CCOCC1	REAL300020176073	1	46	-1.0	-41.51	361.87	5.61	-35.90
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O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(O)=CC(Br)=C1	REAL300020176074	1	31	-1.0	-39.88	293.86	3.25	-36.63
CCC(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(Br)C=C1	REAL300020176075	0	39	-1.0	-37.30	342.74	7.97	-29.33
CCC(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(Br)C=C1	REAL300020176075	1	39	-1.0	-37.28	342.78	7.98	-29.30
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1C2CC3=CC(Cl)=CC=C3C21	REAL300020176076	0	38	-1.0	-40.32	328.41	8.41	-31.91
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1C2CC3=CC(Cl)=CC=C3C21	REAL300020176076	1	38	-1.0	-38.93	329.48	8.44	-30.49
O=C(CCCC1=CC=C2OCCCOC2=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176077	0	48	-1.0	-42.97	391.86	7.69	-35.28
O=C(CCCC1=CC=C2OCCCOC2=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176077	1	48	-1.0	-42.96	391.91	7.69	-35.27
COC1=CC=C(C2=CN=CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=C2)C(C)=C1	REAL300020176078	0	46	-1.0	-41.65	381.09	6.98	-34.67
COC1=CC=C(C2=CN=CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=C2)C(C)=C1	REAL300020176078	1	46	-1.0	-41.65	381.04	6.97	-34.68
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CC2=CC=C(Cl)C=C21	REAL300020176079	0	34	-1.0	-39.66	308.12	7.22	-32.44
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CC2=CC=C(Cl)C=C21	REAL300020176079	1	34	-1.0	-39.60	308.16	7.23	-32.37
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(C2CCOCC2)C=C1	REAL300020176080	0	44	-1.0	-42.14	354.00	6.86	-35.28
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(C2CCOCC2)C=C1	REAL300020176080	1	44	-1.0	-42.09	354.04	6.87	-35.22
N#CC1=CC=C(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=N1	REAL300020176081	0	33	-1.0	-41.15	300.99	4.65	-36.50
N#CC1=CC=C(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=N1	REAL300020176081	1	33	-1.0	-41.13	300.95	4.65	-36.48
CN1CC(=O)NC2=CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=CN=C21	REAL300020176082	0	39	-1.0	-40.70	330.51	1.99	-38.71
CN1CC(=O)NC2=CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CN=C21	REAL300020176082	1	39	-1.0	-40.74	330.47	1.98	-38.76
CC1=CC(Br)=C(F)C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020176083	0	33	-1.0	-39.71	308.04	6.82	-32.89
CC1=CC(Br)=C(F)C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020176083	1	33	-1.0	-39.65	308.08	6.82	-32.83
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(C2=CC=CC(Cl)=C2)NC1=O	REAL300020176084	0	40	-1.0	-55.90	354.33	6.76	-49.14
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(C2=CC=CC(Cl)=C2)NC1=O	REAL300020176084	1	40	-1.0	-55.93	354.23	6.76	-49.17
CN(C1=NC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CS1)C1=CC=CC=C1	REAL300020176085	0	41	-1.0	-45.24	365.62	7.79	-37.45
CN(C1=NC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CS1)C1=CC=CC=C1	REAL300020176085	1	41	-1.0	-45.25	365.58	7.80	-37.45
COC1=CC=C(C=CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1O	REAL300020176086	0	39	-1.0	-42.52	336.17	3.82	-38.70
COC1=CC=C(C=CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1O	REAL300020176086	1	39	-1.0	-42.46	336.21	3.83	-38.63
O=C(C=CC1=C(C(F)(F)F)SC=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176087	0	34	-1.0	-40.40	321.70	6.65	-33.75
O=C(C=CC1=C(C(F)(F)F)SC=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176087	1	34	-1.0	-40.40	321.74	6.65	-33.75
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=NC=CC=C2C=C1	REAL300020176088	0	35	-1.0	-44.20	302.61	5.86	-38.34
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=NC=CC=C2C=C1	REAL300020176088	1	35	-1.0	-44.24	302.57	5.86	-38.38
O=C(CCC1=CC=C(C(F)F)C=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176089	0	39	-1.0	-40.02	339.71	7.83	-32.19
O=C(CCC1=CC=C(C(F)F)C=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176089	1	39	-1.0	-40.04	339.75	7.84	-32.20
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN=CC(C(F)F)=C1	REAL300020176090	0	32	-1.0	-42.77	290.76	4.62	-38.15
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN=CC(C(F)F)=C1	REAL300020176090	1	32	-1.0	-42.79	290.71	4.62	-38.17
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)SC(C2CCOC2)=N1	REAL300020176091	0	40	-1.0	-40.06	342.17	3.94	-36.12
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)SC(C2CCOC2)=N1	REAL300020176091	1	40	-1.0	-40.06	342.21	3.95	-36.11
CN1C=C(CNC2=CC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=C2)C=N1	REAL300020176092	0	45	-1.0	-45.93	380.57	5.90	-40.03
CN1C=C(CNC2=CC=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C2)C=N1	REAL300020176092	1	45	-1.0	-45.99	380.52	5.90	-40.09
CN1C=CN=C1CNC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020176093	0	45	-1.0	-46.64	378.22	6.45	-40.19
CN1C=CN=C1CNC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020176093	1	45	-1.0	-46.53	378.27	6.45	-40.08
NC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)SC2=NC=CC=C12	REAL300020176094	0	34	-1.0	-49.87	304.45	3.20	-46.67
NC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)SC2=NC=CC=C12	REAL300020176094	1	34	-1.0	-49.91	304.41	3.18	-46.73
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN=C(NC2CC2)S1	REAL300020176095	0	35	-1.0	-40.98	317.89	4.42	-36.56
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN=C(NC2CC2)S1	REAL300020176095	1	35	-1.0	-40.97	317.85	4.42	-36.55
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(NCCC2=CC=CC=N2)C=C1	REAL300020176096	0	47	-1.0	-46.64	392.40	7.07	-39.57
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(NCCC2=CC=CC=N2)C=C1	REAL300020176096	1	47	-1.0	-46.60	392.45	7.09	-39.51
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(NCCN2C=CN=C2)C=C1	REAL300020176097	0	45	-1.0	-48.76	379.69	7.68	-41.08
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(NCCN2C=CN=C2)C=C1	REAL300020176097	1	45	-1.0	-48.79	379.73	7.68	-41.11
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=C2N=CC=CN2C=N1	REAL300020176098	0	32	-1.0	-60.39	285.53	5.91	-54.48
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=C2N=CC=CN2C=N1	REAL300020176098	1	32	-1.0	-60.20	286.50	5.93	-54.27
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(NCC2=CSC=C2)C=C1	REAL300020176099	0	42	-1.0	-41.99	367.69	7.04	-34.95
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(NCC2=CSC=C2)C=C1	REAL300020176099	1	42	-1.0	-41.95	367.73	7.04	-34.91
CC(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(C#N)C=C1	REAL300020176100	0	37	-1.0	-38.88	322.09	7.05	-31.83
CC(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(C#N)C=C1	REAL300020176100	1	37	-1.0	-39.21	323.11	7.08	-32.13
CCOC(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C1CCOC1	REAL300020176101	0	41	-1.0	-42.10	325.22	4.22	-37.88
CCOC(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C1CCOC1	REAL300020176101	1	41	-1.0	-42.10	325.27	4.22	-37.88
CC(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C(C)C(C)(C)C	REAL300020176102	0	44	-1.0	-38.10	317.82	6.67	-31.43
CC(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C(C)C(C)(C)C	REAL300020176102	1	44	-1.0	-38.08	317.88	6.66	-31.42
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=CC(Br)=CC=C2C=C1	REAL300020176103	0	36	-1.0	-39.83	327.81	8.33	-31.50
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=CC(Br)=CC=C2C=C1	REAL300020176103	1	36	-1.0	-39.76	328.86	8.35	-31.41
COC1=CC=CC=C1C1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)S1	REAL300020176104	0	41	-1.0	-45.89	363.52	7.71	-38.18
COC1=CC=CC=C1C1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)S1	REAL300020176104	1	41	-1.0	-45.82	362.55	7.67	-38.15
CC(C)(C)CC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020176105	0	45	-1.0	-40.73	357.97	8.50	-32.23
CC(C)(C)CC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020176105	1	45	-1.0	-40.63	358.01	8.50	-32.13
CCOC1COCCC1CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176106	0	44	-1.0	-38.82	348.40	4.41	-34.41
CCOC1COCCC1CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176106	1	44	-1.0	-38.86	348.44	4.41	-34.45
O=C(C=CCCC1=CC=CC=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176107	0	40	-1.0	-40.50	341.16	8.31	-32.19
O=C(C=CCCC1=CC=CC=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176107	1	40	-1.0	-40.47	341.20	8.32	-32.15
O=C(C=CCOC1CCOCC1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176108	0	42	-1.0	-40.92	347.98	4.08	-36.84
O=C(C=CCOC1CCOCC1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176108	1	42	-1.0	-40.94	348.02	4.08	-36.86
O=C(C=CC1=CC=C(Cl)N=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176109	0	33	-1.0	-41.59	306.75	5.30	-36.29
O=C(C=CC1=CC=C(Cl)N=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176109	1	33	-1.0	-41.61	306.80	5.30	-36.31
COC(=O)C1=CC=C(C=CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)O1	REAL300020176110	0	37	-1.0	-43.44	336.92	5.73	-37.71
COC(=O)C1=CC=C(C=CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)O1	REAL300020176110	1	37	-1.0	-43.41	336.96	5.73	-37.68
CN1C=C(C2=CC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=C2)C=N1	REAL300020176111	0	40	-1.0	-44.28	341.51	6.77	-37.51
CN1C=C(C2=CC=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C2)C=N1	REAL300020176111	1	40	-1.0	-44.34	341.47	6.77	-37.57
CC1=NN(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(C(F)F)=C1	REAL300020176112	0	36	-1.0	-42.03	318.00	4.77	-37.26
CC1=NN(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(C(F)F)=C1	REAL300020176112	1	36	-1.0	-40.48	319.06	4.79	-35.69
O=C(CC1=CN2C=C(F)C=CC2=N1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176113	0	36	-1.0	-44.29	317.65	6.81	-37.48
O=C(CC1=CN2C=C(F)C=CC2=N1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176113	1	36	-1.0	-44.28	317.70	6.81	-37.47
CCOC(=O)[C@@H]1CC[C@H](C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020176114	0	42	-1.0	-42.43	345.20	6.57	-35.86
CCOC(=O)[C@@H]1CC[C@H](C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020176114	1	42	-1.0	-42.37	345.24	6.59	-35.78
COC(=O)C1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=C1C	REAL300020176115	0	39	-1.0	-39.54	332.02	6.66	-32.88
COC(=O)C1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC=C1C	REAL300020176115	1	39	-1.0	-39.54	332.07	6.67	-32.87
COC1=CN=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(F)=C1	REAL300020176116	0	33	-1.0	-44.32	292.81	3.12	-41.20
COC1=CN=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(F)=C1	REAL300020176116	1	33	-1.0	-44.33	292.76	3.12	-41.21
CC(C)(C)N1C=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1=O	REAL300020176117	0	42	-1.0	-60.37	334.53	6.38	-53.99
CC(C)(C)N1C=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1=O	REAL300020176117	1	42	-1.0	-60.37	334.60	6.37	-54.00
CC1=NC2=CC=CC(Cl)=C2C=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176118	0	38	-1.0	-42.22	332.40	6.93	-35.29
CC1=NC2=CC=CC(Cl)=C2C=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176118	1	38	-1.0	-42.23	332.45	6.93	-35.30
CC1=CSC2=NC(CC(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CN12	REAL300020176119	0	36	-1.0	-47.24	323.12	6.49	-40.75
O=C(CN1C=NC=C1C1=CC=CC=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176120	0	40	-1.0	-41.01	337.73	8.22	-32.79
O=C(CN1C=NC=C1C1=CC=CC=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176120	1	40	-1.0	-40.94	337.78	8.22	-32.72
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(Br)=CN2C=CN=C12	REAL300020176121	0	33	-1.0	-49.04	307.46	7.36	-41.68
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(Br)=CN2C=CN=C12	REAL300020176121	1	33	-1.0	-49.11	307.43	7.36	-41.75
CC1=NN(CC(C)C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020176122	0	39	-1.0	-40.36	324.22	5.52	-34.84
CC1=NN(CC(C)C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020176122	1	39	-1.0	-40.35	324.27	5.52	-34.83
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CN(C2CC2)C1=O	REAL300020176123	0	37	-1.0	-60.91	310.42	6.00	-54.91
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CN(C2CC2)C1=O	REAL300020176123	1	37	-1.0	-60.89	310.43	6.01	-54.88
O=C(CN1CCCCC(=O)C1=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176124	0	39	-1.0	-52.07	327.92	4.34	-47.73
O=C(CN1CCCCC(=O)C1=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176124	1	39	-1.0	-52.09	327.97	4.35	-47.74
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CC2CCCCC(C1)C2=O	REAL300020176125	0	45	-1.0	-37.88	340.36	6.80	-31.08
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CC2CCCCC(C1)C2=O	REAL300020176125	1	45	-1.0	-37.79	340.40	6.80	-30.99
C[C@@H]1C[C@H](C(F)(F)F)N2N=CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=C2N1	REAL300020176126	0	42	-1.0	-44.97	359.09	4.90	-40.07
C[C@@H]1C[C@H](C(F)(F)F)N2N=CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=C2N1	REAL300020176126	1	42	-1.0	-45.02	359.05	4.89	-40.13
CC(C)(C)OC(=O)NC(CO)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176127	0	44	-1.0	-41.39	360.76	-0.11	-41.50
CC(C)(C)OC(=O)NC(CO)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176127	1	44	-1.0	-41.37	360.81	-0.11	-41.48
O=C(CC1=NC(F)=C(F)C=C1F)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176128	0	32	-1.0	-40.06	298.18	4.28	-35.78
O=C(CC1=NC(F)=C(F)C=C1F)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176128	1	32	-1.0	-40.02	298.22	4.28	-35.74
COC1=NSC=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176129	0	30	-1.0	-39.36	278.05	2.26	-37.10
COC1=NSC=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176129	1	30	-1.0	-39.38	278.00	2.26	-37.12
C=CC(=O)NC1=CC=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020176130	0	38	-1.0	-50.37	329.72	4.92	-45.45
C=CC(=O)NC1=CC=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020176130	1	38	-1.0	-50.36	329.77	4.92	-45.44
O=C(C=CC1=CC=CC(O)=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176131	0	35	-1.0	-41.14	307.04	3.81	-37.33
O=C(C=CC1=CC=CC(O)=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176131	1	35	-1.0	-41.34	306.07	3.79	-37.55
CCOC1CC2(CC2C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020176132	0	41	-1.0	-39.79	339.18	5.83	-33.96
CCOC1CC2(CC2C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020176132	1	41	-1.0	-39.81	339.23	5.85	-33.96
NC(=O)[C@@H]1CC[C@H](CCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)O1	REAL300020176133	0	41	-1.0	-49.08	342.04	2.13	-46.95
NC(=O)[C@@H]1CC[C@H](CCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)O1	REAL300020176133	1	41	-1.0	-52.75	341.07	2.11	-50.64
CCC1=CC2=C(SC=C2CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)S1	REAL300020176134	0	39	-1.0	-39.91	356.09	8.15	-31.76
CCC1=CC2=C(SC=C2CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)S1	REAL300020176134	1	39	-1.0	-39.95	356.12	8.16	-31.79
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN(C(F)F)N=C1	REAL300020176135	0	30	-1.0	-39.97	279.93	3.40	-36.57
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN(C(F)F)N=C1	REAL300020176135	1	30	-1.0	-40.00	279.89	3.40	-36.60
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(C(F)(F)F)=NC=N1	REAL300020176136	0	31	-1.0	-38.49	292.77	4.56	-33.93
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(C(F)(F)F)=NC=N1	REAL300020176136	1	31	-1.0	-38.52	292.73	4.56	-33.96
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1C2CC3=CC=C(Br)C=C3C21	REAL300020176137	0	38	-1.0	-41.94	333.34	8.54	-33.40
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1C2CC3=CC=C(Br)C=C3C21	REAL300020176137	1	38	-1.0	-39.30	334.41	8.57	-30.73
O=C(CC1=COC2=C(Cl)C(Cl)=CC=C12)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176138	0	36	-1.0	-39.73	344.82	7.47	-32.26
O=C(CC1=COC2=C(Cl)C(Cl)=CC=C12)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176138	1	36	-1.0	-39.74	344.85	7.47	-32.27
CCCC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)S1	REAL300020176139	0	36	-1.0	-41.04	318.45	6.85	-34.19
CCCC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)S1	REAL300020176139	1	36	-1.0	-41.02	318.50	6.85	-34.17
CCOCCCCCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176140	0	42	-1.0	-39.57	346.16	5.55	-34.02
CCOCCCCCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176140	1	42	-1.0	-39.52	346.20	5.55	-33.97
O=C(CCCOC1CCOCC1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176141	0	44	-1.0	-40.28	356.24	4.25	-36.03
O=C(CCCOC1CCOCC1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176141	1	44	-1.0	-40.33	356.28	4.26	-36.07
CC1(C)CNC(=O)C2=C(C1)OC=C2C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176142	0	44	-1.0	-49.02	360.02	4.36	-44.66
CC1(C)CNC(=O)C2=C(C1)OC=C2C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176142	1	44	-1.0	-49.04	360.06	4.36	-44.68
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NC=C2CCCCN21	REAL300020176143	0	37	-1.0	-48.10	305.72	5.56	-42.54
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NC=C2CCCCN21	REAL300020176143	1	37	-1.0	-48.12	305.68	5.56	-42.56
CC(C)(C)C(=O)NCC(=O)OCCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176144	0	48	-1.0	-42.14	400.87	4.65	-37.49
CC(C)(C)C(=O)NCC(=O)OCCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176144	1	48	-1.0	-42.16	400.91	4.65	-37.51
CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020176145	0	53	-1.0	-39.95	407.78	6.02	-33.93
CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020176145	1	53	-1.0	-39.97	407.82	6.02	-33.95
CCN1C=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(C2CC2)=N1	REAL300020176146	0	40	-1.0	-40.80	336.70	6.23	-34.57
CCN1C=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(C2CC2)=N1	REAL300020176146	1	40	-1.0	-40.79	336.74	6.24	-34.55
CC1=CC2=C(SC=C2CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)S1	REAL300020176147	0	36	-1.0	-40.11	334.59	7.37	-32.74
CC1=CC2=C(SC=C2CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)S1	REAL300020176147	1	36	-1.0	-40.08	334.63	7.38	-32.70
CC(C)(C)OC(=O)NC1CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020176148	0	47	-1.0	-41.21	377.84	4.20	-37.01
CC(C)(C)OC(=O)NC1CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020176148	1	47	-1.0	-41.18	377.88	4.20	-36.98
C[C@H](CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)NC(=O)OC(C)(C)C	REAL300020176149	0	46	-1.0	-41.67	371.98	4.21	-37.46
C[C@H](CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)NC(=O)OC(C)(C)C	REAL300020176149	1	46	-1.0	-41.65	372.02	4.21	-37.44
CC(C)(C)OC(=O)N(CCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)CC1CC1	REAL300020176150	0	53	-1.0	-41.30	424.48	8.05	-33.25
CC(C)(C)OC(=O)N(CCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)CC1CC1	REAL300020176150	1	53	-1.0	-41.22	424.50	8.06	-33.16
CC(C)(C)OC(=O)N1CC2CC1(CCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C2	REAL300020176151	0	54	-1.0	-46.15	418.59	7.25	-38.90
CC(C)(C)OC(=O)N1CC2CC1(CCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C2	REAL300020176151	1	54	-1.0	-46.15	418.64	7.25	-38.90
COC(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL300020176152	0	42	-1.0	-40.21	346.42	5.72	-34.49
COC(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL300020176152	1	42	-1.0	-40.23	346.47	5.73	-34.50
O=C(CCC1=CC=CC2=CC=CC=C21)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176153	0	42	-1.0	-40.40	350.00	9.07	-31.33
O=C(CCC1=CC=CC2=CC=CC=C21)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176153	1	42	-1.0	-40.39	350.06	9.09	-31.30
CC(CCC1=CC=C(F)C=C1)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176154	0	42	-1.0	-39.64	350.86	8.30	-31.34
CC(CCC1=CC=C(F)C=C1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176154	1	42	-1.0	-39.56	351.87	8.33	-31.23
CC(C)(CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(F)C=C1	REAL300020176155	0	42	-1.0	-37.70	337.92	7.78	-29.92
CC(C)(CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(F)C=C1	REAL300020176155	1	42	-1.0	-37.64	337.97	7.79	-29.85
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=C(Cl)N=CC=C2S1	REAL300020176156	0	32	-1.0	-40.05	311.62	5.54	-34.51
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=C(Cl)N=CC=C2S1	REAL300020176156	1	32	-1.0	-40.11	311.58	5.54	-34.57
COCC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1F	REAL300020176157	0	37	-1.0	-38.77	320.24	5.43	-33.34
COCC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1F	REAL300020176157	1	37	-1.0	-38.74	320.28	5.43	-33.31
CCN1N=CN=C1C1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020176158	0	42	-1.0	-43.27	350.22	7.98	-35.29
CCN1N=CN=C1C1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020176158	1	42	-1.0	-40.53	350.16	7.98	-32.55
O=C(CN1C=CC(Br)=CC1=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176159	0	33	-1.0	-42.64	310.64	5.37	-37.27
O=C(CN1C=CC(Br)=CC1=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176159	1	33	-1.0	-42.64	310.68	5.37	-37.27
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C(CC1=CC=CN=C1)C1CCCC1	REAL300020176160	0	48	-1.0	-38.92	370.36	7.84	-31.08
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C(CC1=CC=CN=C1)C1CCCC1	REAL300020176160	1	48	-1.0	-38.91	370.30	7.84	-31.07
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=CC=NC(Cl)=C2S1	REAL300020176161	0	32	-1.0	-42.91	312.00	5.53	-37.38
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=CC=NC(Cl)=C2S1	REAL300020176161	1	32	-1.0	-42.89	311.96	5.52	-37.37
CCS(=O)(=O)C1=CC=C(OC)C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020176162	0	43	-1.0	-56.08	370.93	4.36	-51.72
CCS(=O)(=O)C1=CC=C(OC)C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020176162	1	43	-1.0	-56.03	370.98	4.36	-51.67
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=NC(N2C=CC=C2)=C1	REAL300020176163	0	37	-1.0	-38.53	318.93	7.55	-30.98
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=NC(N2C=CC=C2)=C1	REAL300020176163	1	37	-1.0	-38.54	319.89	7.58	-30.96
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC2=C(Br)C=CC=C12	REAL300020176164	0	36	-1.0	-40.20	321.79	8.25	-31.95
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC2=C(Br)C=CC=C12	REAL300020176164	1	36	-1.0	-40.15	321.84	8.25	-31.90
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CCC12CCOCC2	REAL300020176165	0	41	-1.0	-41.41	322.55	4.82	-36.59
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CCC12CCOCC2	REAL300020176165	1	41	-1.0	-41.43	322.59	4.82	-36.61
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN2C=CN=C2N=C1	REAL300020176166	0	32	-1.0	-44.91	283.07	6.61	-38.30
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN2C=CN=C2N=C1	REAL300020176166	1	32	-1.0	-44.93	283.03	6.59	-38.34
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC(OC2=CC=CC=N2)=C1	REAL300020176167	0	40	-1.0	-44.94	347.04	5.85	-39.09
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC(OC2=CC=CC=N2)=C1	REAL300020176167	1	40	-1.0	-44.99	346.99	5.84	-39.15
CCOC(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C1CCOCC1	REAL300020176168	0	44	-1.0	-39.43	352.21	4.98	-34.45
CCOC(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C1CCOCC1	REAL300020176168	1	44	-1.0	-39.36	352.26	4.98	-34.38
CCOC(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C1CCCC1	REAL300020176169	0	43	-1.0	-40.33	334.59	6.77	-33.56
CCOC(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C1CCCC1	REAL300020176169	1	43	-1.0	-40.31	334.63	6.77	-33.54
CC1(C)CC2=CC=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C2O1	REAL300020176170	0	41	-1.0	-42.00	338.79	6.72	-35.28
CC1(C)CC2=CC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=C2O1	REAL300020176170	1	41	-1.0	-41.96	338.83	6.72	-35.24
COC(=O)C1=CC=C(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=N1	REAL300020176171	0	38	-1.0	-41.94	335.79	4.96	-36.98
COC(=O)C1=CC=C(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=N1	REAL300020176171	1	38	-1.0	-41.97	335.74	4.96	-37.01
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(Br)=CC(F)=C1[O-]	REAL300020176172	0	30	-2.0	-96.45	294.28	5.59	-90.86
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(Br)=CC(F)=C1[O-]	REAL300020176172	1	30	-2.0	-96.41	294.32	5.61	-90.80
COC1CCN(CC2=CN(C)N=C2C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020176173	0	49	-1.0	-49.53	399.88	2.93	-46.60
COC1CCN(CC2=CN(C)N=C2C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020176173	1	49	-1.0	-49.51	399.92	2.93	-46.58
COC1CC[N@H+](CC2=CN(C)N=C2C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020176173	1	50	0.0	-57.22	402.02	5.45	-51.77
COC1CC[N@@H+](CC2=CN(C)N=C2C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020176173	1	50	0.0	-58.17	401.90	5.55	-52.62
CN1C=C(CN2CCC(O)C2)C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=N1	REAL300020176174	0	46	-1.0	-50.82	377.85	0.57	-50.25
CN1C=C(CN2CCC(O)C2)C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=N1	REAL300020176174	1	46	-1.0	-50.78	377.89	0.57	-50.21
CN1C=C(C[N@@H+]2CCC(O)C2)C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=N1	REAL300020176174	1	47	0.0	-62.68	381.08	3.11	-59.57
CN1C=C(C[N@H+]2CCC(O)C2)C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=N1	REAL300020176174	1	47	0.0	-62.80	379.98	3.08	-59.72
CN1C=C(CN2CCC([NH+](C)C)C2)C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=N1	REAL300020176175	0	54	0.0	-71.22	423.61	5.06	-66.16
CN1C=C(CN2CCC([NH+](C)C)C2)C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=N1	REAL300020176175	1	54	0.0	-71.23	423.57	5.06	-66.17
CN1CC(N2CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)CC2=O)C1	REAL300020176176	0	43	-1.0	-40.86	345.70	1.49	-39.37
CN1CC(N2CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)CC2=O)C1	REAL300020176176	1	43	-1.0	-40.90	345.74	1.49	-39.41
CC(C)N1N=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1Br	REAL300020176177	0	36	-1.0	-40.31	326.05	5.22	-35.09
CC(C)N1N=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1Br	REAL300020176177	1	36	-1.0	-40.33	326.01	5.22	-35.11
CC(CC(=O)C1=CC=C(F)C=C1)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176178	0	41	-1.0	-40.52	349.72	7.47	-33.05
CC(CC(=O)C1=CC=C(F)C=C1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176178	1	41	-1.0	-40.49	349.76	7.47	-33.02
CC1NC2=CC=NN2C(C)C1CCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176179	0	48	-1.0	-46.96	374.76	5.53	-41.43
CC1NC2=CC=NN2C(C)C1CCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176179	1	48	-1.0	-46.90	374.72	5.53	-41.37
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C([O-])C(F)=C1F	REAL300020176180	0	30	-2.0	-88.49	279.54	3.56	-84.93
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C([O-])C(F)=C1F	REAL300020176180	1	30	-2.0	-88.44	279.58	3.58	-84.86
CSC1=NC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(=O)N1	REAL300020176181	0	33	-1.0	-53.14	300.99	3.03	-50.11
CSC1=NC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(=O)N1	REAL300020176181	1	33	-1.0	-53.18	301.08	3.03	-50.15
CSC1=NC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(=O)[N-]1	REAL300020176181	1	32	-2.0	-106.68	297.38	1.90	-104.78
CSC1=NC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(=O)[N-]1	REAL300020176181	1	32	-2.0	-106.90	296.46	2.05	-104.85
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1(Cl)CC2CCC1O2	REAL300020176182	0	35	-1.0	-39.59	295.20	3.96	-35.63
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1(Cl)CC2CCC1O2	REAL300020176182	1	35	-1.0	-40.17	296.23	4.00	-36.17
C=CC(=O)NC1=CC=C(O)C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020176183	0	39	-1.0	-56.92	338.59	3.37	-53.55
C=CC(=O)NC1=CC=C(O)C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020176183	1	39	-1.0	-56.92	338.63	3.37	-53.55
O=CC1=CN(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)N=C1C1=CC=CC=C1	REAL300020176184	0	42	-1.0	-47.90	363.41	6.91	-40.99
O=CC1=CN(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)N=C1C1=CC=CC=C1	REAL300020176184	1	42	-1.0	-47.95	363.37	6.90	-41.05
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)[N-]C(=O)C(C#N)=C1	REAL300020176185	0	33	-2.0	-99.15	301.84	2.56	-96.59
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)[N-]C(=O)C(C#N)=C1	REAL300020176185	1	33	-2.0	-98.57	300.82	2.53	-96.04
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CC2(CSC2)C1	REAL300020176186	0	35	-1.0	-37.97	300.84	5.88	-32.09
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CC2(CSC2)C1	REAL300020176186	1	35	-1.0	-37.96	300.89	5.88	-32.08
CN1C2=CC=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C2N=C1CO	REAL300020176187	0	40	-1.0	-48.12	341.44	3.21	-44.91
CN1C2=CC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=C2N=C1CO	REAL300020176187	1	40	-1.0	-48.09	341.48	3.21	-44.88
CC1=NC2=CC=C(O)C=C2C=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176188	0	39	-1.0	-40.79	329.83	3.69	-37.10
CC1=NC2=CC=C(O)C=C2C=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176188	1	39	-1.0	-40.72	329.88	3.68	-37.04
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C(CCCO)C1=CC=CC=C1	REAL300020176189	0	43	-1.0	-40.91	354.36	4.79	-36.12
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C(CCCO)C1=CC=CC=C1	REAL300020176189	1	43	-1.0	-40.91	354.41	4.79	-36.12
COC1=CC=C(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1O	REAL300020176190	0	38	-1.0	-43.02	325.39	3.27	-39.75
COC1=CC=C(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1O	REAL300020176190	1	38	-1.0	-43.00	325.43	3.27	-39.73
CN1N=C(C(=O)OC(C)(C)C)C=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176191	0	45	-1.0	-37.37	367.98	6.07	-31.30
CN1N=C(C(=O)OC(C)(C)C)C=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176191	1	45	-1.0	-37.39	367.91	6.08	-31.31
CS(C)(=O)=NC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020176192	0	40	-1.0	-59.04	342.36	3.89	-55.15
CS(C)(=O)=NC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020176192	1	40	-1.0	-59.03	342.41	3.89	-55.14
CC(C)(C)C1=CSC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=N1	REAL300020176193	0	38	-1.0	-41.40	328.46	5.11	-36.29
CC(C)(C)C1=CSC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=N1	REAL300020176193	1	38	-1.0	-41.41	328.42	5.11	-36.30
O=C(CC1=CC=C(Br)C=C1Cl)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176194	0	33	-1.0	-37.32	320.67	7.18	-30.14
O=C(CC1=CC=C(Br)C=C1Cl)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176194	1	33	-1.0	-37.32	320.71	7.18	-30.14
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=C(C3CC3)C=CC=C2N1	REAL300020176195	0	41	-1.0	-40.52	344.10	7.47	-33.05
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=C(C3CC3)C=CC=C2N1	REAL300020176195	1	41	-1.0	-40.50	344.15	7.48	-33.02
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN(CC2CC2)N=C1	REAL300020176196	0	37	-1.0	-43.71	319.40	5.66	-38.05
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN(CC2CC2)N=C1	REAL300020176196	1	37	-1.0	-43.73	319.36	5.65	-38.08
CC1=C(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(=O)NC(=O)N1	REAL300020176197	0	36	-1.0	-50.24	311.65	0.84	-49.40
CC1=C(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(=O)NC(=O)N1	REAL300020176197	1	36	-1.0	-50.27	311.69	0.84	-49.43
O=C(CC1C(=O)NC2=CC=C(F)C=C21)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176198	0	38	-1.0	-43.51	328.80	5.76	-37.75
O=C(CC1C(=O)NC2=CC=C(F)C=C21)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176198	1	38	-1.0	-43.51	328.85	5.76	-37.75
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=C2N=CNC2=NC=N1	REAL300020176199	0	31	-1.0	-51.00	279.04	4.37	-46.63
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=C2N=CNC2=NC=N1	REAL300020176199	1	31	-1.0	-51.00	278.07	4.33	-46.67
C=CC(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC=C1	REAL300020176200	0	37	-1.0	-39.15	315.99	7.22	-31.93
C=CC(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC=C1	REAL300020176200	1	37	-1.0	-39.48	317.03	7.25	-32.23
O=CC1=CC=C(C2=CC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C([O-])=C2)O1	REAL300020176201	0	39	-2.0	-112.01	350.38	7.05	-104.96
O=CC1=CC=C(C2=CC=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C([O-])=C2)O1	REAL300020176201	1	39	-2.0	-112.07	350.34	7.04	-105.03
O=CC1=CC=C(C2=CC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C(O)=C2)O1	REAL300020176201	1	40	-1.0	-48.78	353.94	6.05	-42.73
O=CC1=CC=C(C2=CC=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C(O)=C2)O1	REAL300020176201	1	40	-1.0	-48.86	353.89	6.04	-42.82
CCC(O)CN1C=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)N=N1	REAL300020176202	0	39	-1.0	-52.38	337.30	0.91	-51.47
CCC(O)CN1C=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)N=N1	REAL300020176202	1	39	-1.0	-52.44	337.26	0.91	-51.53
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C(=O)C1=CNC2=CC(F)=CC=C12	REAL300020176203	0	36	-1.0	-46.26	319.92	5.41	-40.85
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C(=O)C1=CNC2=CC(F)=CC=C12	REAL300020176203	1	36	-1.0	-46.43	320.97	5.43	-41.00
N#CCS(=O)(=O)C1=CC=C(F)C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020176204	0	37	-1.0	-57.29	347.53	3.73	-53.56
N#CCS(=O)(=O)C1=CC=C(F)C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020176204	1	37	-1.0	-57.26	347.58	3.73	-53.53
O=C(CC1=NC(C2CC2)=CS1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176205	0	36	-1.0	-42.15	320.75	5.31	-36.84
O=C(CC1=NC(C2CC2)=CS1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176205	1	36	-1.0	-42.11	320.79	5.31	-36.80
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CCCN2N=CN=C12	REAL300020176206	0	36	-1.0	-45.30	299.98	5.65	-39.65
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CCCN2N=CN=C12	REAL300020176206	1	36	-1.0	-45.27	300.02	5.66	-39.61
CCCCCCC(O)CCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176207	0	48	-1.0	-39.20	386.20	5.38	-33.82
CCCCCCC(O)CCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176207	1	48	-1.0	-39.21	386.25	5.39	-33.82
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CN2N=CN=C12	REAL300020176208	0	32	-1.0	-51.25	281.77	6.59	-44.66
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CN2N=CN=C12	REAL300020176208	1	32	-1.0	-51.28	281.73	6.59	-44.69
O=C(CS(=O)C1=CC=C(Cl)C=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176209	0	35	-1.0	-50.81	333.36	4.74	-46.07
O=C(CS(=O)C1=CC=C(Cl)C=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176209	1	35	-1.0	-50.80	333.40	4.76	-46.04
CC1CCC2=NNC=C2C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176210	0	40	-1.0	-39.29	318.90	4.67	-34.62
CC1CCC2=NNC=C2C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176210	1	40	-1.0	-39.25	318.96	4.67	-34.58
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN=C(CC2CC2)S1	REAL300020176211	0	36	-1.0	-40.79	322.94	5.67	-35.12
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN=C(CC2CC2)S1	REAL300020176211	1	36	-1.0	-40.75	322.98	5.67	-35.08
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=C(Cl)C2=C(F)C=CC=C2S1	REAL300020176212	0	33	-1.0	-43.40	317.50	7.39	-36.01
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=C(Cl)C2=C(F)C=CC=C2S1	REAL300020176212	1	33	-1.0	-43.47	316.50	7.37	-36.10
CSC1=NC=CN=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176213	0	32	-1.0	-45.29	291.00	3.13	-42.16
CSC1=NC=CN=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176213	1	32	-1.0	-45.18	291.97	3.14	-42.04
CC1=CC2=C(S1)C(CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)=CS2	REAL300020176214	0	36	-1.0	-41.52	333.88	7.36	-34.16
CC1=CC2=C(S1)C(CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)=CS2	REAL300020176214	1	36	-1.0	-41.49	333.92	7.36	-34.13
CN1N=C2CCSCC2=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176215	0	38	-1.0	-38.85	318.81	5.58	-33.27
CN1N=C2CCSCC2=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176215	1	38	-1.0	-38.81	318.85	5.59	-33.22
CCCCNC1=NC(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CS1	REAL300020176216	0	43	-1.0	-43.44	369.99	5.57	-37.87
CCCCNC1=NC(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CS1	REAL300020176216	1	43	-1.0	-43.39	370.03	5.57	-37.82
CC1(NC2=NC(CC(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CS2)CCCC1	REAL300020176217	0	47	-1.0	-43.00	382.16	6.02	-36.98
CC1(NC2=NC(CC(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=CS2)CCCC1	REAL300020176217	1	47	-1.0	-42.99	382.20	6.02	-36.97
O=C(CCCC(=O)C1=CC=CC=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176218	0	41	-1.0	-45.42	349.28	7.58	-37.84
O=C(CCCC(=O)C1=CC=CC=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176218	1	41	-1.0	-45.39	349.32	7.58	-37.81
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=CC(F)=CC=C2NC1=O	REAL300020176219	0	36	-1.0	-52.33	314.61	5.04	-47.29
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=CC(F)=CC=C2NC1=O	REAL300020176219	1	36	-1.0	-52.27	314.65	5.04	-47.23
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(CN2CCOCC2)O1	REAL300020176220	0	43	-1.0	-43.80	355.65	2.82	-40.98
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(CN2CCOCC2)O1	REAL300020176220	1	43	-1.0	-43.83	355.70	2.82	-41.01
CN1CCC(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1=O	REAL300020176221	0	37	-1.0	-49.83	307.14	4.97	-44.86
CN1CCC(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1=O	REAL300020176221	1	37	-1.0	-49.80	307.18	4.97	-44.83
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN(CC2CNC(=O)O2)N=N1	REAL300020176222	0	38	-1.0	-66.12	336.19	-0.17	-66.29
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN(CC2CNC(=O)O2)N=N1	REAL300020176222	1	38	-1.0	-66.10	336.15	-0.19	-66.29
CC1=CC=NC(OC2=CC=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C2)=C1	REAL300020176223	0	43	-1.0	-43.02	369.43	6.55	-36.47
CC1=CC=NC(OC2=CC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=C2)=C1	REAL300020176223	1	43	-1.0	-43.00	369.47	6.55	-36.45
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CSC(C2=NC=CN2)=N1	REAL300020176224	0	33	-1.0	-57.36	309.53	3.00	-54.36
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CSC(C2=NC=CN2)=N1	REAL300020176224	1	33	-1.0	-57.31	309.57	3.00	-54.31
CC(SC1=NC(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CS1)C(N)=O	REAL300020176225	0	40	-1.0	-53.47	363.02	1.51	-51.96
CC(SC1=NC(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CS1)C(N)=O	REAL300020176225	1	40	-1.0	-53.42	363.06	1.51	-51.91
CC1=CC(C)=C(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)S1	REAL300020176226	0	36	-1.0	-39.17	316.38	6.63	-32.54
CC1=CC(C)=C(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)S1	REAL300020176226	1	36	-1.0	-39.20	316.42	6.63	-32.57
CC(C)(C)OC(=O)CCC1CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CO1	REAL300020176227	0	52	-1.0	-42.00	412.32	6.91	-35.09
CC(C)(C)OC(=O)CCC1CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CO1	REAL300020176227	1	52	-1.0	-42.04	412.36	6.91	-35.13
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@@H]2C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176228	0	48	-1.0	-44.88	379.43	7.05	-37.83
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@@H]2C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176228	1	48	-1.0	-44.91	379.48	7.05	-37.86
COCCC(NC(=O)OC(C)(C)C)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176229	0	50	-1.0	-40.21	397.20	2.78	-37.43
COCCC(NC(=O)OC(C)(C)C)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176229	1	50	-1.0	-40.21	397.24	2.78	-37.43
CC(C)(C)OC(=O)N1CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(C)(C)C1	REAL300020176230	0	53	-1.0	-39.66	406.91	6.49	-33.17
CC(C)(C)OC(=O)N1CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(C)(C)C1	REAL300020176230	1	53	-1.0	-39.63	406.96	6.48	-33.15
CC(C)(C)OC(=O)NC1=CC=NC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020176231	0	46	-1.0	-50.05	380.17	4.00	-46.05
CC(C)(C)OC(=O)NC1=CC=NC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020176231	1	46	-1.0	-50.06	380.22	4.00	-46.06
CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176232	0	47	-1.0	-41.53	385.00	3.04	-38.49
CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176232	1	47	-1.0	-41.51	385.04	3.04	-38.47
CC(C)C[C@@H](C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)N(C)C(=O)OC(C)(C)C	REAL300020176233	0	55	-1.0	-42.40	423.03	7.98	-34.42
CC(C)C[C@@H](C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)N(C)C(=O)OC(C)(C)C	REAL300020176233	1	55	-1.0	-38.53	424.05	8.00	-30.53
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C(O)C1=CC=CC=C1C(F)(F)F	REAL300020176234	0	37	-1.0	-43.14	314.79	4.85	-38.29
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C(O)C1=CC=CC=C1C(F)(F)F	REAL300020176234	1	37	-1.0	-43.12	314.78	4.86	-38.26
CC(C)(C)C1=CC=C(C(F)(F)C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020176235	0	45	-1.0	-41.07	371.02	8.56	-32.51
CC(C)(C)C1=CC=C(C(F)(F)C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020176235	1	45	-1.0	-40.93	372.08	8.58	-32.35
CC1=CN=C(Cl)C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020176236	0	32	-1.0	-39.53	290.66	4.79	-34.74
CC1=CN=C(Cl)C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020176236	1	32	-1.0	-39.55	290.61	4.78	-34.77
O=C(C=CC1=CC=CC=C1F)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176237	0	34	-1.0	-41.51	301.53	6.71	-34.80
O=C(C=CC1=CC=CC=C1F)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176237	1	34	-1.0	-41.52	301.57	6.71	-34.81
O=C(C=CC1=CC=C2OCOC2=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176238	0	37	-1.0	-41.11	322.05	5.35	-35.76
O=C(C=CC1=CC=C2OCOC2=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176238	1	37	-1.0	-41.11	322.10	5.35	-35.76
CN(C(=O)OC(C)(C)C)C1=CC=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020176239	0	50	-1.0	-47.71	406.41	7.97	-39.74
CN(C(=O)OC(C)(C)C)C1=CC=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020176239	1	50	-1.0	-47.63	406.45	7.96	-39.67
CC(C)(C)OC(=O)NC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=N1	REAL300020176240	0	46	-1.0	-42.31	379.95	5.44	-36.87
CC(C)(C)OC(=O)NC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC=N1	REAL300020176240	1	46	-1.0	-42.19	378.99	5.41	-36.78
O=C(C=CC1=CC=C(F)C=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176241	0	34	-1.0	-39.68	302.42	6.74	-32.94
O=C(C=CC1=CC=C(F)C=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176241	1	34	-1.0	-39.66	302.46	6.74	-32.92
C[C@H]1CC[C@H](C2=NC(CC(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CS2)CC1	REAL300020176242	0	48	-1.0	-42.62	396.39	7.66	-34.96
C[C@H]1CC[C@H](C2=NC(CC(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=CS2)CC1	REAL300020176242	1	48	-1.0	-40.09	395.43	7.64	-32.45
COC1=CC=C(C2=CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=NO2)C=C1	REAL300020176243	0	40	-1.0	-45.53	348.62	5.78	-39.75
COC1=CC=C(C2=CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=NO2)C=C1	REAL300020176243	1	40	-1.0	-45.54	348.57	5.78	-39.76
CCC1=CC=C(C2=CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=NO2)C=C1	REAL300020176244	0	42	-1.0	-44.58	362.06	7.91	-36.67
CCC1=CC=C(C2=CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=NO2)C=C1	REAL300020176244	1	42	-1.0	-44.57	362.02	7.91	-36.66
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)SC(C2=CC=C(C)C=C2F)=N1	REAL300020176245	0	42	-1.0	-42.97	371.29	7.93	-35.04
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)SC(C2=CC=C(C)C=C2F)=N1	REAL300020176245	1	42	-1.0	-43.02	371.25	7.93	-35.09
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)SC(C2=CC=C(F)C(C)=C2)=N1	REAL300020176246	0	42	-1.0	-39.37	371.08	7.68	-31.69
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)SC(C2=CC=C(F)C(C)=C2)=N1	REAL300020176246	1	42	-1.0	-39.34	371.04	7.67	-31.67
COC(=O)C1=NN(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020176247	0	36	-1.0	-44.14	321.40	4.24	-39.90
COC(=O)C1=NN(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020176247	1	36	-1.0	-44.14	321.36	4.23	-39.91
COC(=O)C1=NN(CCCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020176248	0	42	-1.0	-46.37	366.02	5.64	-40.73
COC(=O)C1=NN(CCCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020176248	1	42	-1.0	-46.37	365.98	5.62	-40.75
CCCCC1=NC(C)=C(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)S1	REAL300020176249	0	44	-1.0	-39.68	375.84	6.94	-32.74
CCCCC1=NC(C)=C(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)S1	REAL300020176249	1	44	-1.0	-39.63	375.89	6.94	-32.69
CC1=C(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)SC(C2CCC2)=N1	REAL300020176250	0	42	-1.0	-40.00	359.24	6.78	-33.22
CC1=C(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)SC(C2CCC2)=N1	REAL300020176250	1	42	-1.0	-39.98	359.28	6.78	-33.20
CC1=C(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)SC(C2=NN(C)C=C2)=N1	REAL300020176251	0	42	-1.0	-45.69	374.49	5.39	-40.30
CC1=C(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)SC(C2=NN(C)C=C2)=N1	REAL300020176251	1	42	-1.0	-45.69	374.52	5.39	-40.30
NC1=CC(C(F)(F)F)=CC=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176252	0	35	-1.0	-37.53	310.32	4.69	-32.84
NC1=CC(C(F)(F)F)=CC=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176252	1	35	-1.0	-37.54	310.37	4.71	-32.83
NC1=CC(Cl)=CC=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176253	0	32	-1.0	-37.91	288.03	4.21	-33.70
NC1=CC(Cl)=CC=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176253	1	32	-1.0	-37.94	288.08	4.21	-33.73
NC1=CC([N+](=O)[O-])=CC=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176254	0	34	-1.0	-37.20	299.09	4.34	-32.86
NC1=CC([N+](=O)[O-])=CC=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176254	1	34	-1.0	-37.30	299.34	4.34	-32.96
CS(=O)(=O)C1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(N)=C1	REAL300020176255	0	38	-1.0	-48.06	331.77	1.20	-46.86
CS(=O)(=O)C1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(N)=C1	REAL300020176255	1	38	-1.0	-48.05	331.81	1.21	-46.84
[N-]=[N+]=NC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020176256	0	32	-1.0	-38.71	289.58	3.28	-35.43
[N-]=[N+]=NC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020176256	1	32	-1.0	-38.78	289.63	3.28	-35.50
C=CC(=O)NC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020176257	0	38	-1.0	-44.66	329.58	4.92	-39.74
C=CC(=O)NC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020176257	1	38	-1.0	-50.35	329.63	4.92	-45.43
NC1=CC(Br)=CC=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176258	0	32	-1.0	-37.94	292.60	4.31	-33.63
NC1=CC(Br)=CC=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176258	1	32	-1.0	-37.90	292.64	4.33	-33.57
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(N2C=CC=C2)C=C1O	REAL300020176259	0	39	-1.0	-41.78	331.03	6.69	-35.09
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(N2C=CC=C2)C=C1O	REAL300020176259	1	39	-1.0	-41.78	331.07	6.69	-35.09
[N-]=[N+]=NC1=CC=CC=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176260	0	32	-1.0	-40.41	287.70	3.48	-36.93
[N-]=[N+]=NC1=CC=CC=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176260	1	32	-1.0	-40.54	286.73	3.45	-37.09
CCS(=O)(=O)C1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(N)=C1	REAL300020176261	0	41	-1.0	-47.06	353.24	2.10	-44.96
CCS(=O)(=O)C1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(N)=C1	REAL300020176261	1	41	-1.0	-47.07	353.28	2.11	-44.96
[N-]=[N+]=NCC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020176262	0	35	-1.0	-41.47	313.02	2.77	-38.70
[N-]=[N+]=NCC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020176262	1	35	-1.0	-41.44	313.06	2.77	-38.67
COC(=O)CCC1=CC=CC=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176263	0	42	-1.0	-42.82	350.85	7.63	-35.19
COC(=O)CCC1=CC=CC=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176263	1	42	-1.0	-43.90	349.87	7.62	-36.28
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(C2CCC(=O)N2)C=C1	REAL300020176264	0	41	-1.0	-48.03	343.82	4.92	-43.11
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(C2CCC(=O)N2)C=C1	REAL300020176264	1	41	-1.0	-48.03	343.86	4.92	-43.11
CC1=NC(C(C)C)=NC=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176265	0	40	-1.0	-38.52	330.11	5.30	-33.22
CC1=NC(C(C)C)=NC=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176265	1	40	-1.0	-38.54	330.30	5.29	-33.25
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)[C@@H]1C[C@H]2CC[C@@H](C1)S2(=O)=O	REAL300020176266	0	40	-1.0	-42.75	317.82	2.69	-40.06
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)[C@@H]1C[C@H]2CC[C@@H](C1)S2(=O)=O	REAL300020176266	1	40	-1.0	-46.11	318.63	2.74	-43.37
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CN2N=CC=C12	REAL300020176267	0	33	-1.0	-47.79	285.84	5.41	-42.38
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CN2N=CC=C12	REAL300020176267	1	33	-1.0	-47.85	285.79	5.41	-42.44
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C2C(=O)N=CNC2=C1	REAL300020176268	0	35	-1.0	-53.13	307.24	3.77	-49.36
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C2C(=O)N=CNC2=C1	REAL300020176268	1	35	-1.0	-53.09	307.29	3.77	-49.32
O=C(CNC(=O)N1CCCC1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176269	0	39	-1.0	-43.14	324.49	2.86	-40.28
O=C(CNC(=O)N1CCCC1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176269	1	39	-1.0	-43.07	324.54	2.87	-40.20
O=C(CC1=CC=CC=C1N1CCCC1=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176270	0	44	-1.0	-43.53	365.77	7.67	-35.86
O=C(CC1=CC=CC=C1N1CCCC1=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176270	1	44	-1.0	-43.53	365.82	7.67	-35.86
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CCC2=NN=CN2CC1	REAL300020176271	0	39	-1.0	-47.88	315.12	6.95	-40.93
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CCC2=NN=CN2CC1	REAL300020176271	1	39	-1.0	-47.92	315.16	6.95	-40.97
COC1=CC=CC=C1C1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(=O)N1	REAL300020176272	0	44	-1.0	-58.45	370.68	5.78	-52.67
COC1=CC=CC=C1C1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(=O)N1	REAL300020176272	1	44	-1.0	-58.48	370.62	5.78	-52.70
CC1=CC=C(OC2=CC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=C2)N=C1	REAL300020176273	0	43	-1.0	-42.98	369.45	6.53	-36.45
CC1=CC=C(OC2=CC=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C2)N=C1	REAL300020176273	1	43	-1.0	-43.05	369.41	6.54	-36.51
CC(=O)N(CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC=C1	REAL300020176274	0	40	-1.0	-46.86	341.29	6.47	-40.39
CC(=O)N(CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC=C1	REAL300020176274	1	40	-1.0	-46.92	341.34	6.47	-40.45
CCNC1=NC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1Cl	REAL300020176275	0	37	-1.0	-38.97	328.20	5.02	-33.95
CCNC1=NC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1Cl	REAL300020176275	1	37	-1.0	-39.04	329.17	5.03	-34.01
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NNC=C1Br	REAL300020176276	0	27	-1.0	-45.27	263.52	2.54	-42.73
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NNC=C1Br	REAL300020176276	1	27	-1.0	-45.18	263.57	2.54	-42.64
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC2=NSN=C21	REAL300020176277	0	31	-1.0	-43.49	285.76	3.95	-39.54
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC2=NSN=C21	REAL300020176277	1	31	-1.0	-43.50	285.72	3.95	-39.55
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=COC2=CC(O)=CC=C12	REAL300020176278	0	34	-1.0	-40.88	301.19	2.95	-37.93
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=COC2=CC(O)=CC=C12	REAL300020176278	1	34	-1.0	-40.85	301.23	2.95	-37.90
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN=C2C=CNC2=C1	REAL300020176279	0	33	-1.0	-47.63	287.47	3.61	-44.02
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN=C2C=CNC2=C1	REAL300020176279	1	33	-1.0	-47.59	287.52	3.61	-43.98
COC1=CNC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC1=O	REAL300020176280	0	34	-1.0	-52.61	294.47	3.23	-49.38
COC1=CNC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC1=O	REAL300020176280	1	34	-1.0	-52.71	295.49	3.26	-49.45
CC(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC(O)=C1	REAL300020176281	0	37	-1.0	-40.07	311.86	3.79	-36.28
CC(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC(O)=C1	REAL300020176281	1	37	-1.0	-40.05	311.90	3.80	-36.25
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=C(Br)C(=O)N=C[N-]1	REAL300020176282	0	28	-2.0	-88.13	275.71	1.80	-86.33
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=C(Br)C(=O)N=C[N-]1	REAL300020176282	1	28	-2.0	-88.14	275.66	1.80	-86.34
C[NH+](C)CCSC1=NC(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CS1	REAL300020176283	0	45	0.0	-70.29	390.13	6.49	-63.80
C[NH+](C)CCSC1=NC(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CS1	REAL300020176283	1	45	0.0	-70.24	390.18	6.50	-63.74
COCCNC1=NC(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CS1	REAL300020176284	0	41	-1.0	-45.80	360.59	3.11	-42.69
COCCNC1=NC(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CS1	REAL300020176284	1	41	-1.0	-45.77	360.64	3.11	-42.66
NC1=NN=C(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)S1	REAL300020176285	0	30	-1.0	-42.12	280.55	1.37	-40.75
NC1=NN=C(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)S1	REAL300020176285	1	30	-1.0	-42.11	280.59	1.38	-40.73
CC1=CC=C(Cl)C=C1OCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176286	0	37	-1.0	-39.81	330.83	7.16	-32.65
CC1=CC=C(Cl)C=C1OCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176286	1	37	-1.0	-39.77	330.87	7.16	-32.61
CC1=CC(C(F)(F)F)=NC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=N1	REAL300020176287	0	34	-1.0	-47.41	314.95	4.55	-42.86
CC1=CC(C(F)(F)F)=NC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=N1	REAL300020176287	1	34	-1.0	-47.42	314.99	4.57	-42.85
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=C(C(F)F)C=CS1	REAL300020176288	0	30	-1.0	-44.99	281.40	5.42	-39.57
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=C(C(F)F)C=CS1	REAL300020176288	1	30	-1.0	-44.98	281.44	5.43	-39.55
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)[C@@H]1C[C@H]1C1=CC=CC(C(F)(F)F)=C1	REAL300020176289	0	40	-1.0	-40.95	352.11	8.50	-32.45
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)[C@@H]1C[C@H]1C1=CC=CC(C(F)(F)F)=C1	REAL300020176289	1	40	-1.0	-40.99	352.15	8.50	-32.49
CCOC(=O)C(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C(C)C	REAL300020176290	0	41	-1.0	-43.37	333.11	7.37	-36.00
CCOC(=O)C(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C(C)C	REAL300020176290	1	41	-1.0	-43.38	333.20	7.38	-36.00
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CSC(NC2CCCCC2)=N1	REAL300020176291	0	44	-1.0	-44.31	368.80	5.96	-38.35
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CSC(NC2CCCCC2)=N1	REAL300020176291	1	44	-1.0	-44.31	368.76	5.96	-38.35
CC1(C)CCC(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)OC1	REAL300020176292	0	43	-1.0	-41.07	337.01	6.10	-34.97
CC1(C)CCC(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)OC1	REAL300020176292	1	43	-1.0	-41.10	337.06	6.11	-34.99
CC(C)(CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)CC(F)F	REAL300020176293	0	38	-1.0	-37.72	303.89	5.78	-31.94
CC(C)(CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)CC(F)F	REAL300020176293	1	38	-1.0	-37.72	303.94	5.78	-31.94
O=C(CN1CCCCS1(=O)=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176294	0	38	-1.0	-48.15	323.66	1.86	-46.29
O=C(CN1CCCCS1(=O)=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176294	1	38	-1.0	-48.14	323.71	1.87	-46.27
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300020176295	0	34	-1.0	-40.46	316.66	5.62	-34.84
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(OC(F)F)C(Cl)=C1	REAL300020176295	1	34	-1.0	-40.42	316.70	5.62	-34.80
CC1=CC2=CC=CC=C2N=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176296	0	38	-1.0	-48.93	319.83	6.59	-42.34
CC1=CC2=CC=CC=C2N=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176296	1	38	-1.0	-48.89	319.78	6.59	-42.30
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CCOC2=C(F)C=CC=C21	REAL300020176297	0	38	-1.0	-39.09	316.07	6.27	-32.82
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CCOC2=C(F)C=CC=C21	REAL300020176297	1	38	-1.0	-39.11	316.08	6.28	-32.83
CS(=O)(=O)C1CCC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CC1	REAL300020176298	0	42	-1.0	-47.47	345.76	3.03	-44.44
CS(=O)(=O)C1CCC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CC1	REAL300020176298	1	42	-1.0	-47.43	345.80	3.04	-44.39
O=C(CN1N=CC2=CC=CN=C21)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176299	0	35	-1.0	-47.77	308.76	4.92	-42.85
O=C(CN1N=CC2=CC=CN=C21)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176299	1	35	-1.0	-47.80	308.71	4.92	-42.88
CC(C)N1C(=O)CC[C@H]1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176300	0	40	-1.0	-38.61	319.78	4.61	-34.00
CC(C)N1C(=O)CC[C@H]1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176300	1	40	-1.0	-38.67	319.83	4.61	-34.06
O=C(CN1N=C(C(F)F)C=C1C1CC1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176301	0	40	-1.0	-44.43	351.78	6.37	-38.06
O=C(CN1N=C(C(F)F)C=C1C1CC1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176301	1	40	-1.0	-44.43	351.83	6.37	-38.06
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(C2=CC=CC(F)=C2)S1	REAL300020176302	0	37	-1.0	-45.89	338.02	8.24	-37.65
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(C2=CC=CC(F)=C2)S1	REAL300020176302	1	37	-1.0	-45.89	338.06	8.25	-37.64
CCC(CC1=CC=CC(C)=C1)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176303	0	45	-1.0	-39.96	357.62	8.47	-31.49
CCC(CC1=CC=CC(C)=C1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176303	1	45	-1.0	-39.97	357.91	8.47	-31.50
CC(C)(C)OC1=CC=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020176304	0	43	-1.0	-41.88	342.40	6.63	-35.25
CC(C)(C)OC1=CC=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020176304	1	43	-1.0	-41.95	342.44	6.63	-35.32
CC(C)(C)OC(=O)NCC12CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)(C1)C2	REAL300020176305	0	51	-1.0	-41.32	411.05	5.44	-35.88
CC(C)(C)OC(=O)NCC12CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)(C1)C2	REAL300020176305	1	51	-1.0	-41.32	411.09	5.44	-35.88
CC(C)(C)OC(=O)NC1CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1(C)C	REAL300020176306	0	53	-1.0	-41.85	411.24	5.41	-36.44
CC(C)(C)OC(=O)NC1CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1(C)C	REAL300020176306	1	53	-1.0	-41.85	411.27	5.41	-36.44
CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CC1	REAL300020176307	0	53	-1.0	-41.21	408.31	6.02	-35.19
CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CC1	REAL300020176307	1	53	-1.0	-41.15	408.36	6.02	-35.13
CC(C)(C)OC(=O)NC[C@@H]1[C@H](C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1(F)F	REAL300020176308	0	47	-1.0	-42.90	390.36	4.45	-38.45
CC(C)(C)OC(=O)NC[C@@H]1[C@H](C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1(F)F	REAL300020176308	1	47	-1.0	-42.86	390.41	4.47	-38.39
CC(C)(C)OC(=O)N1CC[C@]2(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)CCC[C@H]12	REAL300020176309	0	54	-1.0	-41.09	416.15	7.28	-33.81
CC(C)(C)OC(=O)N1CC[C@]2(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)CCC[C@H]12	REAL300020176309	1	54	-1.0	-40.58	417.23	7.31	-33.27
CC1=CC=C2OCC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CC2=C1	REAL300020176310	0	39	-1.0	-42.71	327.70	6.63	-36.08
CC1=CC=C2OCC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=CC2=C1	REAL300020176310	1	39	-1.0	-42.69	327.74	6.63	-36.06
COC1=CC=C(C=CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1OC	REAL300020176311	0	42	-1.0	-42.52	354.64	5.89	-36.63
COC1=CC=C(C=CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1OC	REAL300020176311	1	42	-1.0	-42.54	354.68	5.89	-36.65
O=C(C=CC1=CC=C(SC(F)F)C=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176312	0	38	-1.0	-42.77	345.59	7.94	-34.83
O=C(C=CC1=CC=C(SC(F)F)C=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176312	1	38	-1.0	-42.74	345.63	7.93	-34.81
COC(=O)[C@@H]1CC[C@@H]1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176313	0	36	-1.0	-48.30	300.32	5.49	-42.81
COC(=O)[C@@H]1CC[C@@H]1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176313	1	36	-1.0	-48.26	300.37	5.49	-42.77
COC(=O)CC[C@@H]1CC[C@H](C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)O1	REAL300020176314	0	43	-1.0	-43.07	360.02	5.97	-37.10
COC(=O)CC[C@@H]1CC[C@H](C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)O1	REAL300020176314	1	43	-1.0	-43.05	360.06	5.97	-37.08
COC(=O)[C@@H]1CO[C@H](CCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020176315	0	43	-1.0	-42.54	358.45	4.94	-37.60
COC(=O)[C@@H]1CO[C@H](CCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020176315	1	43	-1.0	-42.47	358.49	4.95	-37.52
CC(C)(C)OC(=O)C=CC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CO1	REAL300020176316	0	46	-1.0	-39.41	388.28	7.62	-31.79
CC(C)(C)OC(=O)C=CC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CO1	REAL300020176316	1	46	-1.0	-39.40	388.32	7.62	-31.78
COC1=CC=C(OC)C(C=CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020176317	0	42	-1.0	-45.46	353.81	5.32	-40.14
COC1=CC=C(OC)C(C=CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020176317	1	42	-1.0	-45.46	353.86	5.32	-40.14
CC(C)(C)OC(=O)C1=CC=C(C=CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)O1	REAL300020176318	0	46	-1.0	-43.58	391.80	7.77	-35.81
CC(C)(C)OC(=O)C1=CC=C(C=CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)O1	REAL300020176318	1	46	-1.0	-43.60	391.84	7.77	-35.83
CC(C)(C)OC(=O)[C@@H]1CC[C@H]1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176319	0	45	-1.0	-45.06	362.55	7.13	-37.93
CC(C)(C)OC(=O)[C@@H]1CC[C@H]1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176319	1	45	-1.0	-45.07	362.60	7.13	-37.94
O=C(CC1=CC=C(Cl)C=N1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176320	0	32	-1.0	-40.06	295.30	5.02	-35.04
O=C(CC1=CC=C(Cl)C=N1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176320	1	32	-1.0	-40.00	295.34	5.02	-34.98
O=C(CC1=CC=CC2=NC=CC=C12)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176321	0	38	-1.0	-41.74	322.86	6.37	-35.37
O=C(CC1=CC=CC2=NC=CC=C12)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176321	1	38	-1.0	-41.70	322.90	6.37	-35.33
O=C(CC1=CC2=NC=CC=C2C=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176322	0	38	-1.0	-43.57	326.22	6.50	-37.07
O=C(CC1=CC2=NC=CC=C2C=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176322	1	38	-1.0	-43.53	326.26	6.50	-37.03
O=C(CC1=CSC(C2CCCC2)=N1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176323	0	42	-1.0	-40.44	355.59	6.36	-34.08
O=C(CC1=CSC(C2CCCC2)=N1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176323	1	42	-1.0	-40.45	355.63	6.37	-34.08
CC1(C)CCC2=C(C1)C(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)=NO2	REAL300020176324	0	42	-1.0	-46.52	337.76	6.41	-40.11
CC1(C)CCC2=C(C1)C(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)=NO2	REAL300020176324	1	42	-1.0	-46.60	336.79	6.39	-40.21
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)SC(C2=CC=C(C)C=C2)=N1	REAL300020176325	0	42	-1.0	-41.56	366.82	7.69	-33.87
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)SC(C2=CC=C(C)C=C2)=N1	REAL300020176325	1	42	-1.0	-41.57	366.78	7.69	-33.88
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C(O)C1=CC=C(C(F)(F)F)C=C1	REAL300020176326	0	37	-1.0	-38.03	331.94	5.07	-32.96
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C(O)C1=CC=C(C(F)(F)F)C=C1	REAL300020176326	1	37	-1.0	-37.28	333.00	5.11	-32.17
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CC(=O)N(OCC2=CC=CC=C2)C1	REAL300020176327	0	45	-1.0	-44.30	382.99	7.19	-37.11
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CC(=O)N(OCC2=CC=CC=C2)C1	REAL300020176327	1	45	-1.0	-44.28	383.03	7.19	-37.09
CCN1N=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1Br	REAL300020176328	0	33	-1.0	-40.25	305.86	4.54	-35.71
CCN1N=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1Br	REAL300020176328	1	33	-1.0	-40.28	305.81	4.53	-35.75
O=C(CC1=CSC(C2CC2)=N1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176329	0	36	-1.0	-41.12	321.60	5.31	-35.81
O=C(CC1=CSC(C2CC2)=N1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176329	1	36	-1.0	-41.13	321.65	5.31	-35.82
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=CN1CC1=CC=CC=C1	REAL300020176330	0	44	-1.0	-46.11	365.37	9.34	-36.77
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=CN1CC1=CC=CC=C1	REAL300020176330	1	44	-1.0	-46.10	365.42	9.35	-36.75
CC(C)(C)C1=NC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CO1	REAL300020176331	0	38	-1.0	-45.44	324.32	2.73	-42.71
CC(C)(C)C1=NC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CO1	REAL300020176331	1	38	-1.0	-45.42	324.28	2.72	-42.70
O=C(CCC1CCC2=CC=CC=C21)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176332	0	43	-1.0	-40.18	347.13	8.61	-31.57
O=C(CCC1CCC2=CC=CC=C21)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176332	1	43	-1.0	-40.14	347.17	8.61	-31.53
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(C(F)(F)F)=CC=N1	REAL300020176333	0	32	-1.0	-42.08	296.81	4.72	-37.36
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(C(F)(F)F)=CC=N1	REAL300020176333	1	32	-1.0	-42.08	296.76	4.71	-37.37
CC1(C)COC(CCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020176334	0	43	-1.0	-40.50	343.71	5.40	-35.10
CC1(C)COC(CCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020176334	1	43	-1.0	-40.52	343.76	5.40	-35.12
CC1=NN(C2CCOCC2)C=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176335	0	44	-1.0	-41.43	357.20	4.67	-36.76
CC1=NN(C2CCOCC2)C=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176335	1	44	-1.0	-41.42	357.25	4.68	-36.74
CC(C)(CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)CC(F)(F)F	REAL300020176336	0	38	-1.0	-37.92	307.66	5.84	-32.08
CC(C)(CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)CC(F)(F)F	REAL300020176336	1	38	-1.0	-37.98	307.72	5.84	-32.14
COC1=CC=C(CCCCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1OC	REAL300020176337	0	50	-1.0	-42.94	408.26	7.70	-35.24
COC1=CC=C(CCCCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1OC	REAL300020176337	1	50	-1.0	-42.97	408.31	7.70	-35.27
COC1=CC=C2CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)CCC2=C1	REAL300020176338	0	44	-1.0	-40.09	353.84	7.10	-32.99
COC1=CC=C2CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)CCC2=C1	REAL300020176338	1	44	-1.0	-40.02	353.88	7.10	-32.92
CC(C)(C)C12CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)(C1)C2	REAL300020176339	0	43	-1.0	-39.27	346.04	7.50	-31.77
CC(C)(C)C12CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)(C1)C2	REAL300020176339	1	43	-1.0	-39.30	346.09	7.50	-31.80
CN1N=C(C(F)(F)F)C2=C1SC(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)=C2	REAL300020176340	0	36	-1.0	-38.81	344.16	5.53	-33.28
CC1=CC(C)=NC(N2CCC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)CC2)=N1	REAL300020176341	0	49	-1.0	-42.73	392.46	7.44	-35.29
CC1=CC(C)=NC(N2CCC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)CC2)=N1	REAL300020176341	1	49	-1.0	-43.84	393.47	7.47	-36.37
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NC=C2C=CSC2=C1	REAL300020176342	0	32	-1.0	-45.26	295.67	5.15	-40.11
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NC=C2C=CSC2=C1	REAL300020176342	1	32	-1.0	-45.26	295.62	5.15	-40.11
O=C(CCN1CC2=CC=CC=C2C1=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176343	0	41	-1.0	-50.89	350.97	6.34	-44.55
O=C(CCN1CC2=CC=CC=C2C1=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176343	1	41	-1.0	-50.87	351.01	6.35	-44.52
CC(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)N1C=CC(C2CC2)=N1	REAL300020176344	0	40	-1.0	-43.98	336.37	6.13	-37.85
CC(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)N1C=CC(C2CC2)=N1	REAL300020176344	1	40	-1.0	-43.90	336.42	6.14	-37.76
CC1=NN2C=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)N=C2S1	REAL300020176345	0	32	-1.0	-50.80	298.75	4.11	-46.69
CC(C)C1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(=O)N1	REAL300020176346	0	39	-1.0	-57.19	323.74	4.69	-52.50
CC(C)C1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(=O)N1	REAL300020176346	1	39	-1.0	-57.18	323.82	4.68	-52.50
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=C(C(F)F)N2N=CC=C2N=C1	REAL300020176347	0	35	-1.0	-41.55	307.98	5.26	-36.29
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=C(C(F)F)N2N=CC=C2N=C1	REAL300020176347	1	35	-1.0	-41.56	308.03	5.26	-36.30
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN2CCCCC2=N1	REAL300020176348	0	37	-1.0	-50.96	308.89	5.63	-45.33
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN2CCCCC2=N1	REAL300020176348	1	37	-1.0	-50.93	308.94	5.64	-45.29
CN1N=CC2=CC(CC(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=CC=C21	REAL300020176349	0	39	-1.0	-42.46	334.53	6.12	-36.34
CN1N=CC2=CC(CC(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CC=C21	REAL300020176349	1	39	-1.0	-42.50	334.49	6.12	-36.38
COC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C2=CN=CC=C12	REAL300020176350	0	39	-1.0	-41.31	326.46	5.31	-36.00
COC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C2=CN=CC=C12	REAL300020176350	1	39	-1.0	-41.33	326.42	5.31	-36.02
COC1=CC=C(Cl)C=C1C(F)(F)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176351	0	37	-1.0	-44.66	339.46	6.16	-38.50
COC1=CC=C(Cl)C=C1C(F)(F)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176351	1	37	-1.0	-44.60	339.51	6.16	-38.44
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CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C(C(C)(C)C)O1	REAL300020176354	1	42	-1.0	-41.46	347.53	7.03	-34.43
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COC1=CC=CN2N=CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=C12	REAL300020176359	1	37	-1.0	-50.42	315.10	5.76	-44.66
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O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN(C2CCC2)N=C1	REAL300020176360	1	37	-1.0	-42.78	311.85	5.19	-37.59
CC1=CN2N=NC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=C2C(=O)N1	REAL300020176361	0	35	-1.0	-57.11	309.00	2.67	-54.44
CC1=CN2N=NC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=C2C(=O)N1	REAL300020176361	1	35	-1.0	-57.12	309.04	2.67	-54.45
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=NN1C1CCC1	REAL300020176362	0	37	-1.0	-39.15	302.66	5.62	-33.53
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=NN1C1CCC1	REAL300020176362	1	37	-1.0	-39.16	302.61	5.62	-33.54
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(C(F)F)=NC=N1	REAL300020176363	0	31	-1.0	-40.99	288.49	4.43	-36.56
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(C(F)F)=NC=N1	REAL300020176363	1	31	-1.0	-41.00	288.53	4.43	-36.57
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=C(C2CC2)OC(C2CC2)=C1	REAL300020176364	0	41	-1.0	-42.31	347.25	8.21	-34.10
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=C(C2CC2)OC(C2CC2)=C1	REAL300020176364	1	41	-1.0	-42.28	347.29	8.22	-34.06
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(S(=O)(=O)F)=C[N-]1	REAL300020176365	0	30	-2.0	-93.98	292.88	-0.10	-94.08
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(S(=O)(=O)F)=C[N-]1	REAL300020176365	1	30	-2.0	-93.97	292.92	-0.09	-94.06
CCOC(=O)N(C)CCCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176366	0	43	-1.0	-43.32	361.04	5.23	-38.09
CCOC(=O)N(C)CCCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176366	1	43	-1.0	-43.30	361.08	5.23	-38.07
O=C(CC1CCC2(CCC2)CO1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176367	0	44	-1.0	-39.47	346.03	6.75	-32.72
O=C(CC1CCC2(CCC2)CO1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176367	1	44	-1.0	-39.39	346.07	6.76	-32.63
O=C(CC1CCC2(CCOCC2)CO1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176368	0	48	-1.0	-39.90	363.16	5.32	-34.58
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O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CC2CCC(C1)S2	REAL300020176369	0	38	-1.0	-45.78	281.99	6.16	-39.62
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CC2CCC(C1)S2	REAL300020176369	1	38	-1.0	-45.78	282.04	6.17	-39.61
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CSC=C1C(F)F	REAL300020176370	0	30	-1.0	-45.83	280.65	5.36	-40.47
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CSC=C1C(F)F	REAL300020176370	1	30	-1.0	-45.81	280.69	5.36	-40.45
COC1=CC=C(CCCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1OC	REAL300020176371	0	47	-1.0	-43.29	387.77	6.94	-36.35
COC1=CC=C(CCCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1OC	REAL300020176371	1	47	-1.0	-43.23	387.81	6.95	-36.28
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)[C@@H]1[C@@H](C2=CC=CC=C2)C1(F)F	REAL300020176372	0	37	-1.0	-39.04	324.13	7.55	-31.49
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)[C@@H]1[C@@H](C2=CC=CC=C2)C1(F)F	REAL300020176372	1	37	-1.0	-38.99	324.18	7.56	-31.43
CCOC1=CC=C(CCCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1OCC	REAL300020176373	0	53	-1.0	-42.74	431.48	8.78	-33.96
CCOC1=CC=C(CCCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1OCC	REAL300020176373	1	53	-1.0	-42.78	431.52	8.79	-33.99
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O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC2=C1C(=O)N=CN2	REAL300020176375	0	35	-1.0	-70.33	305.85	4.83	-65.50
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC2=C1C(=O)N=CN2	REAL300020176375	1	35	-1.0	-70.27	305.89	4.83	-65.44
CC1=CC(O)=CC=C1CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176376	0	37	-1.0	-40.01	312.87	3.77	-36.24
CC1=CC(O)=CC=C1CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176376	1	37	-1.0	-39.96	312.91	3.77	-36.19
C[NH+](C)CCC1=CC=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020176377	0	45	0.0	-66.67	362.34	8.22	-58.45
C[NH+](C)CCC1=CC=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020176377	1	45	0.0	-66.65	362.39	8.23	-58.42
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CNC2=CC(=O)C=CC2=C1	REAL300020176378	0	36	-1.0	-48.14	312.64	5.29	-42.85
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CNC2=CC(=O)C=CC2=C1	REAL300020176378	1	36	-1.0	-48.34	311.67	5.27	-43.07
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CCC(Cl)CC1	REAL300020176379	0	36	-1.0	-37.52	303.66	6.24	-31.28
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CCC(Cl)CC1	REAL300020176379	1	36	-1.0	-37.51	303.71	6.24	-31.27
CC1(C)OC[C@H](C=CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)O1	REAL300020176380	0	39	-1.0	-39.35	329.65	4.16	-35.19
CC1(C)OC[C@H](C=CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)O1	REAL300020176380	1	39	-1.0	-39.37	329.69	4.17	-35.20
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CS(=O)CCC1	REAL300020176381	0	33	-1.0	-48.74	285.10	2.75	-45.99
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CS(=O)CCC1	REAL300020176381	1	33	-1.0	-48.73	285.14	2.75	-45.98
CN1C(=O)CCCC1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176382	0	37	-1.0	-41.03	301.20	3.71	-37.32
CN1C(=O)CCCC1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176382	1	37	-1.0	-41.03	301.25	3.71	-37.32
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)[C@@H]1CC[C@H](CN2C=CN=C2)O1	REAL300020176383	0	41	-1.0	-46.44	345.30	6.93	-39.51
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)[C@@H]1CC[C@H](CN2C=CN=C2)O1	REAL300020176383	1	41	-1.0	-46.43	345.35	6.95	-39.48
O=C(COC1=NSC=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176384	0	30	-1.0	-41.97	281.34	2.39	-39.58
O=C(COC1=NSC=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176384	1	30	-1.0	-42.03	281.30	2.39	-39.64
O=CC1=CC=C(C2=CC=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C2)C=C1	REAL300020176385	0	42	-1.0	-44.43	358.76	8.62	-35.81
O=CC1=CC=C(C2=CC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=C2)C=C1	REAL300020176385	1	42	-1.0	-44.34	358.80	8.62	-35.72
CC(C)CN1C=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=N1	REAL300020176386	0	39	-1.0	-48.05	325.64	5.68	-42.37
CC(C)CN1C=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=N1	REAL300020176386	1	39	-1.0	-48.03	325.59	5.69	-42.34
O=C(CCCC1=CC=C(Br)C=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176387	0	39	-1.0	-39.00	350.34	8.38	-30.62
O=C(CCCC1=CC=C(Br)C=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176387	1	39	-1.0	-38.98	350.38	8.38	-30.60
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NN(C2=CC(F)=CC(F)=C2)C=C1	REAL300020176388	0	37	-1.0	-47.89	334.72	6.74	-41.15
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NN(C2=CC(F)=CC(F)=C2)C=C1	REAL300020176388	1	37	-1.0	-47.73	335.68	6.76	-40.97
O=C(CCCCC1=CC=CC=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176389	0	42	-1.0	-39.32	350.54	8.53	-30.79
O=C(CCCCC1=CC=CC=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176389	1	42	-1.0	-39.28	350.58	8.53	-30.75
CC1(C)COC(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020176390	0	40	-1.0	-41.82	322.54	5.10	-36.72
CC1(C)COC(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020176390	1	40	-1.0	-41.83	322.58	5.11	-36.72
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NN2CCCC2=C1Br	REAL300020176391	0	34	-1.0	-49.35	309.15	4.69	-44.66
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NN2CCCC2=C1Br	REAL300020176391	1	34	-1.0	-49.39	309.20	4.69	-44.70
O=C(CC[N@H+]1CCC(F)C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176392	0	39	0.0	-55.35	314.94	5.69	-49.66
O=C(CC[N@@H+]1CCC(F)C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176392	1	39	0.0	-53.47	315.95	5.71	-47.76
O=C(CCN1CCC(F)C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176392	1	38	-1.0	-37.60	312.16	3.26	-34.34
O=C(CCN1CCC(F)C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176392	1	38	-1.0	-37.66	312.20	3.26	-34.40
O=C(CC1=CN=C2NC=CC(Cl)=C12)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176393	0	36	-1.0	-53.54	324.19	5.81	-47.73
O=C(CC1=CN=C2NC=CC(Cl)=C12)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176393	1	36	-1.0	-53.55	324.23	5.81	-47.74
COC(=O)C1=NC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CS1	REAL300020176394	0	32	-1.0	-52.59	305.08	3.23	-49.36
COC(=O)C1=NC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CS1	REAL300020176394	1	32	-1.0	-52.58	305.04	3.23	-49.35
CC1=C2OC=C(CC(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C2=CC=C1Cl	REAL300020176395	0	39	-1.0	-40.74	348.35	7.59	-33.15
CC1=C2OC=C(CC(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C2=CC=C1Cl	REAL300020176395	1	39	-1.0	-40.75	348.39	7.59	-33.16
NC1=C([N+](=O)[O-])C2=CC=CC=C2C=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176396	0	40	-1.0	-37.43	345.16	6.91	-30.52
NC1=C([N+](=O)[O-])C2=CC=CC=C2C=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176396	1	40	-1.0	-37.38	345.20	6.92	-30.46
CN(C)CC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)O1	REAL300020176397	0	38	-1.0	-43.69	322.79	3.14	-40.55
CN(C)CC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)O1	REAL300020176397	1	38	-1.0	-43.62	322.84	3.14	-40.48
C[NH+](C)CC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)O1	REAL300020176397	1	39	0.0	-59.68	325.31	5.69	-53.99
CC(C)[N@@H+]1CCCC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020176398	0	45	0.0	-49.74	340.45	6.68	-43.06
CC(C)[N@H+]1CCCC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020176398	1	45	0.0	-50.73	339.91	6.66	-44.07
CC(C)[N@@H+]1CCCC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020176398	1	45	0.0	-49.82	340.40	6.68	-43.14
CC(C)[N@H+]1CCCC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020176398	1	45	0.0	-50.71	339.86	6.65	-44.06
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(CN2CCCC2)O1	REAL300020176399	0	42	-1.0	-42.67	347.03	4.22	-38.45
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(C[NH+]2CCCC2)O1	REAL300020176399	1	43	0.0	-57.98	350.66	6.81	-51.17
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(CN2CCCC2)O1	REAL300020176399	1	42	-1.0	-42.70	347.07	4.22	-38.48
CCC[N@@H+]1CCCC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020176400	0	45	0.0	-51.34	345.29	6.91	-44.43
CCC[N@H+]1CCCC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020176400	1	45	0.0	-49.26	339.05	7.11	-42.15
CCC[N@@H+]1CCCC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020176400	1	45	0.0	-51.30	345.24	6.91	-44.39
CCC[N@H+]1CCCC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020176400	1	45	0.0	-49.28	339.00	7.11	-42.17
C[N@@H+]1CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(C(F)(F)F)C1	REAL300020176401	0	39	0.0	-56.60	324.26	5.66	-50.94
C[N@H+]1CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(C(F)(F)F)C1	REAL300020176401	1	39	0.0	-57.92	318.88	5.36	-52.56
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CN1N=C(C2=CC=NC=C2)C=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176406	0	39	-1.0	-38.71	331.18	5.27	-33.44
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CCN1N=C(C2CC2)C=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176408	1	40	-1.0	-40.16	336.97	6.19	-33.97
CC1=CN2N=CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=C2N=C1	REAL300020176409	0	35	-1.0	-50.51	307.12	5.04	-45.47
CC1=CN2N=CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=C2N=C1	REAL300020176409	1	35	-1.0	-50.54	307.08	5.04	-45.50
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COC1=CC2=CC=C(C=CC(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C2C=C1	REAL300020176413	0	44	-1.0	-43.50	371.58	8.23	-35.27
COC1=CC2=CC=C(C=CC(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=C2C=C1	REAL300020176413	1	44	-1.0	-43.51	371.62	8.23	-35.28
O=C(CC1=NC(C2CCCCC2)=CS1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176414	0	45	-1.0	-39.76	372.74	6.99	-32.77
O=C(CC1=NC(C2CCCCC2)=CS1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176414	1	45	-1.0	-39.72	372.78	6.99	-32.73
O=C(CC1=NN=C(C2CCOCC2)N1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176415	0	43	-1.0	-46.96	353.47	4.09	-42.87
O=C(CC1=NN=C(C2CCOCC2)N1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176415	1	43	-1.0	-46.93	353.51	4.09	-42.84
O=C(CCC1=CC=CC(OCC2=CC=CC=C2)=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176416	0	50	-1.0	-41.24	418.80	10.24	-31.00
O=C(CCC1=CC=CC(OCC2=CC=CC=C2)=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176416	1	50	-1.0	-41.16	418.84	10.25	-30.91
CN1N=C2CCCC2=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176417	0	37	-1.0	-41.64	302.62	5.34	-36.30
CN1N=C2CCCC2=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176417	1	37	-1.0	-41.68	302.66	5.36	-36.32
CN1C=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(Br)=N1	REAL300020176418	0	30	-1.0	-39.58	285.42	3.73	-35.85
CN1C=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(Br)=N1	REAL300020176418	1	30	-1.0	-39.60	285.38	3.72	-35.88
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CC2(C1)CC(F)(F)C2	REAL300020176419	0	37	-1.0	-40.20	313.94	6.47	-33.73
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C[C@H](C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)N1CC2=CC=CC=C2C1=O	REAL300020176420	0	41	-1.0	-52.79	342.85	7.06	-45.73
C[C@H](C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)N1CC2=CC=CC=C2C1=O	REAL300020176420	1	41	-1.0	-52.76	342.89	7.07	-45.69
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=COC2=C1C(=O)NCCC2	REAL300020176421	0	38	-1.0	-48.85	319.97	3.32	-45.53
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=COC2=C1C(=O)NCCC2	REAL300020176421	1	38	-1.0	-48.79	320.01	3.32	-45.47
CC1=NC(=O)C2=CC=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C2N1	REAL300020176422	0	38	-1.0	-51.45	328.80	3.72	-47.73
CC1=NC(=O)C2=CC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=C2N1	REAL300020176422	1	38	-1.0	-51.41	328.84	3.72	-47.69
CC1=C(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)SC(CC(F)(F)F)=N1	REAL300020176423	0	38	-1.0	-40.18	351.84	5.77	-34.41
CC1=C(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)SC(CC(F)(F)F)=N1	REAL300020176423	1	38	-1.0	-40.16	351.89	5.77	-34.39
C[C@H](NC(=O)CCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC=C1	REAL300020176424	0	46	-1.0	-43.68	384.65	6.17	-37.51
C[C@H](NC(=O)CCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC=C1	REAL300020176424	1	46	-1.0	-43.67	384.69	6.19	-37.48
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O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=C(Cl)C=NC=C2S1	REAL300020176425	1	32	-1.0	-38.22	311.62	5.58	-32.64
N#CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)NC2=CC=CC=C21	REAL300020176426	0	35	-1.0	-39.79	314.65	5.84	-33.95
N#CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)NC2=CC=CC=C21	REAL300020176426	1	35	-1.0	-39.76	314.69	5.84	-33.92
NC1=C(Cl)C=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL300020176427	0	34	-1.0	-36.84	315.11	4.79	-32.05
NC1=C(Cl)C=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL300020176427	1	34	-1.0	-36.78	315.16	4.79	-31.99
CNC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(Cl)=C1	REAL300020176428	0	35	-1.0	-41.87	308.82	4.80	-37.07
CNC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(Cl)=C1	REAL300020176428	1	35	-1.0	-41.84	308.87	4.81	-37.03
O=C(CC1=COC2=C(F)C(F)=CC=C12)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176429	0	36	-1.0	-40.41	325.73	6.62	-33.79
O=C(CC1=COC2=C(F)C(F)=CC=C12)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176429	1	36	-1.0	-40.42	325.76	6.62	-33.80
CCSC1=CC=CC=C1CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176430	0	40	-1.0	-41.47	344.06	7.89	-33.58
CCSC1=CC=CC=C1CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176430	1	40	-1.0	-41.43	344.11	7.89	-33.54
C=CCOC1=CC=C(C=CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1OC	REAL300020176431	0	46	-1.0	-42.38	389.39	7.39	-34.99
C=CCOC1=CC=C(C=CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1OC	REAL300020176431	1	46	-1.0	-42.39	389.44	7.40	-34.99
CCCCC1=C(C=CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C2=CC=CC=C2O1	REAL300020176432	0	49	-1.0	-42.82	412.54	10.33	-32.49
CCCCC1=C(C=CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C2=CC=CC=C2O1	REAL300020176432	1	49	-1.0	-42.79	412.58	10.33	-32.46
CC1=CC(C=CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C(C)N1C1CCCCC1	REAL300020176433	0	54	-1.0	-45.09	415.18	10.32	-34.77
CC1=CC(C=CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C(C)N1C1CCCCC1	REAL300020176433	1	54	-1.0	-45.07	415.22	10.33	-34.74
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C(O)C1=CC=CC(Br)=C1	REAL300020176434	0	34	-1.0	-40.40	314.54	4.69	-35.71
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C(O)C1=CC=CC(Br)=C1	REAL300020176434	1	34	-1.0	-40.40	314.59	4.70	-35.70
CC1=NC(C)=C(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)S1	REAL300020176435	0	35	-1.0	-40.25	311.36	4.63	-35.62
CC1=NC(C)=C(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)S1	REAL300020176435	1	35	-1.0	-40.28	311.40	4.63	-35.65
O=C(COCC1=CC=CC=N1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176436	0	36	-1.0	-41.93	313.36	4.75	-37.18
O=C(COCC1=CC=CC=N1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176436	1	36	-1.0	-41.94	313.41	4.76	-37.18
CC1=CC=C(C=CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(Br)=C1	REAL300020176437	0	37	-1.0	-40.53	335.68	7.85	-32.68
CC1=CC=C(C=CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(Br)=C1	REAL300020176437	1	37	-1.0	-40.47	335.73	7.85	-32.62
CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176438	0	47	-1.0	-44.77	378.88	4.35	-40.42
CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176438	1	47	-1.0	-44.78	378.93	4.36	-40.42
COC1=CC=C(CCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=N1	REAL300020176439	0	39	-1.0	-40.79	334.61	3.66	-37.13
COC1=CC=C(CCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=N1	REAL300020176439	1	39	-1.0	-40.76	334.57	3.65	-37.11
CN1N=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1NC(=O)OC(C)(C)C	REAL300020176440	0	47	-1.0	-49.50	387.77	4.19	-45.31
CN1N=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1NC(=O)OC(C)(C)C	REAL300020176440	1	47	-1.0	-49.52	387.81	4.19	-45.33
CC(C)(C)OC(=O)NC(CC1CC1)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176441	0	50	-1.0	-38.74	395.07	5.23	-33.51
CC(C)(C)OC(=O)NC(CC1CC1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176441	1	50	-1.0	-38.73	395.12	5.24	-33.49
O=C(CC1CCC2=C(C=CS2)C1=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176442	0	39	-1.0	-45.66	336.49	7.94	-37.72
O=C(CC1CCC2=C(C=CS2)C1=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176442	1	39	-1.0	-45.73	336.53	7.94	-37.79
CCN1C=C(Cl)C=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176443	0	34	-1.0	-42.07	306.47	6.35	-35.72
CCN1C=C(Cl)C=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176443	1	34	-1.0	-42.07	306.53	6.35	-35.72
CC(C)(C)OC(=O)N1CC[C@@H]2C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)[C@@H]2C1	REAL300020176444	0	51	-1.0	-49.89	388.29	7.98	-41.91
CC(C)(C)OC(=O)N1CC[C@@H]2C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)[C@@H]2C1	REAL300020176444	1	51	-1.0	-49.89	388.34	7.99	-41.90
CC(C)(C)OC(=O)NC1CC(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020176445	0	50	-1.0	-42.96	399.88	5.04	-37.92
CC(C)(C)OC(=O)NC1CC(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020176445	1	50	-1.0	-41.90	398.92	5.03	-36.87
CC1C2=CNN=C2CCC1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176446	0	40	-1.0	-43.25	317.14	4.43	-38.82
CC1C2=CNN=C2CCC1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176446	1	40	-1.0	-43.22	317.20	4.44	-38.78
CC(C)(C)OC(=O)NC1=NC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)S1	REAL300020176447	0	43	-1.0	-42.10	372.65	4.44	-37.66
CC(C)(C)OC(=O)NC1=NC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)S1	REAL300020176447	1	43	-1.0	-42.03	372.70	4.44	-37.59
CC(C)(C)OC(=O)NOCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176448	0	41	-1.0	-44.60	345.07	3.56	-41.04
CC(C)(C)OC(=O)NOCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176448	1	41	-1.0	-44.53	345.11	3.56	-40.97
CN(CCCCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL300020176449	0	52	-1.0	-44.86	415.56	7.10	-37.76
CN(CCCCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL300020176449	1	52	-1.0	-44.83	415.60	7.10	-37.73
CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176450	0	50	-1.0	-39.73	408.26	4.95	-34.78
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COC(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(Br)S1	REAL300020176488	0	34	-1.0	-37.23	330.08	5.98	-31.25
COC(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(Br)S1	REAL300020176488	1	34	-1.0	-37.27	330.12	5.97	-31.30
CC1=CC(C#N)=CC(C)=C1CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176489	0	40	-1.0	-38.94	339.95	7.53	-31.41
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C[NH+]1CCN(CC2=CC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)S2)CC1	REAL300020176499	1	48	0.0	-62.38	390.51	5.97	-56.41
COC1=NSC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1Br	REAL300020176500	0	30	-1.0	-36.68	298.60	1.98	-34.70
COC1=NSC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1Br	REAL300020176500	1	30	-1.0	-36.64	298.56	1.96	-34.68
CC(C)(CO)C1=NC2=CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CC=C2N1	REAL300020176501	0	46	-1.0	-43.54	378.71	3.56	-39.98
CC(C)(CO)C1=NC2=CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=CC=C2N1	REAL300020176501	1	46	-1.0	-43.58	378.75	3.56	-40.02
O=C(CC1=NN=C(C2CC2)N1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176502	0	36	-1.0	-45.41	310.71	4.90	-40.51
O=C(CC1=NN=C(C2CC2)N1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176502	1	36	-1.0	-45.41	310.75	4.91	-40.50
O=C(CN1N=NC2=CC=CC=C21)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176503	0	35	-1.0	-45.76	308.50	4.21	-41.55
O=C(CN1N=NC2=CC=CC=C21)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176503	1	35	-1.0	-45.81	308.46	4.22	-41.59
CCN(CC(C)C)C1=NC(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CS1	REAL300020176504	0	49	-1.0	-42.34	402.95	7.59	-34.75
CCN(CC(C)C)C1=NC(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CS1	REAL300020176504	1	49	-1.0	-42.30	403.00	7.60	-34.70
CC1=CC=CC(C2=CC=CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=C2)=C1	REAL300020176505	0	43	-1.0	-42.08	357.08	9.56	-32.52
CC1=CC=CC(C2=CC=CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=C2)=C1	REAL300020176505	1	43	-1.0	-42.05	357.12	9.56	-32.49
CC(C)N1C=C(Br)C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=N1	REAL300020176506	0	36	-1.0	-46.27	325.41	5.22	-41.05
CC(C)N1C=C(Br)C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=N1	REAL300020176506	1	36	-1.0	-46.38	326.37	5.23	-41.15
CC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC(C)=C1C#N	REAL300020176507	0	37	-1.0	-37.84	320.57	6.87	-30.97
CC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC(C)=C1C#N	REAL300020176507	1	37	-1.0	-37.82	320.62	6.87	-30.95
CCCCCC(=O)NCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176508	0	42	-1.0	-41.14	349.60	4.01	-37.13
CCCCCC(=O)NCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176508	1	42	-1.0	-41.15	349.64	4.01	-37.14
CN1C=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(I)=N1	REAL300020176509	0	30	-1.0	-39.14	291.30	4.14	-35.00
CN1C=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(I)=N1	REAL300020176509	1	30	-1.0	-39.13	291.26	4.13	-35.00
CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020176510	0	53	-1.0	-41.79	414.37	5.64	-36.15
CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020176510	1	53	-1.0	-41.87	414.43	5.64	-36.23
CCNC1=NC(C)=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)S1	REAL300020176511	0	37	-1.0	-41.43	323.97	3.99	-37.44
CCNC1=NC(C)=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)S1	REAL300020176511	1	37	-1.0	-41.44	324.02	3.99	-37.45
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)SC(NC2CC2)=N1	REAL300020176512	0	38	-1.0	-41.46	333.50	4.83	-36.63
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)SC(NC2CC2)=N1	REAL300020176512	1	38	-1.0	-41.50	332.53	4.80	-36.70
C=CCNC1=NC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)S1	REAL300020176513	0	35	-1.0	-40.92	320.48	4.05	-36.87
C=CCNC1=NC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)S1	REAL300020176513	1	35	-1.0	-40.91	320.44	4.05	-36.86
COC1=C2C=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)NC2=CC=C1	REAL300020176514	0	38	-1.0	-41.94	324.83	4.71	-37.23
COC1=C2C=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)NC2=CC=C1	REAL300020176514	1	38	-1.0	-41.90	324.88	4.72	-37.18
CC1=CC=CC=C1C1=NOC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020176515	0	41	-1.0	-42.03	343.93	7.55	-34.48
CC1=CC=CC=C1C1=NOC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020176515	1	41	-1.0	-42.02	343.97	7.55	-34.47
O=C(CC1=CC(Br)=CC=C1Cl)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176516	0	33	-1.0	-38.89	320.64	7.18	-31.71
O=C(CC1=CC(Br)=CC=C1Cl)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176516	1	33	-1.0	-38.91	320.68	7.18	-31.73
CC1=CC(C)=C(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(=O)N1	REAL300020176517	0	39	-1.0	-53.88	327.43	4.17	-49.71
CC1=CC(C)=C(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(=O)N1	REAL300020176517	1	39	-1.0	-53.84	327.47	4.17	-49.67
CNC(=O)NC1=CC=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020176518	0	39	-1.0	-51.21	332.45	3.03	-48.18
CNC(=O)NC1=CC=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020176518	1	39	-1.0	-51.21	332.50	3.03	-48.18
NC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C(Cl)C(F)=C1[N+](=O)[O-]	REAL300020176519	0	34	-1.0	-33.60	322.97	5.17	-28.43
NC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C(Cl)C(F)=C1[N+](=O)[O-]	REAL300020176519	1	34	-1.0	-33.57	323.01	5.17	-28.40
CC1=CSC(CNC2=CC=CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=C2)=N1	REAL300020176520	0	44	-1.0	-43.52	384.51	5.81	-37.71
CC1=CSC(CNC2=CC=CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=C2)=N1	REAL300020176520	1	44	-1.0	-43.54	384.47	5.80	-37.74
O=C(CC1(O)CCOCC1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176521	0	38	-1.0	-40.49	303.46	1.85	-38.64
O=C(CC1(O)CCOCC1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176521	1	38	-1.0	-40.43	303.51	1.86	-38.57
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C2NC=CC2=N1	REAL300020176522	0	33	-1.0	-52.31	290.03	3.75	-48.56
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C2NC=CC2=N1	REAL300020176522	1	33	-1.0	-52.50	289.06	3.73	-48.77
CC(C)(C)OC(=O)N1CCC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CC1	REAL300020176523	0	51	-1.0	-45.01	394.39	7.08	-37.93
CC(C)(C)OC(=O)N1CCC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CC1	REAL300020176523	1	51	-1.0	-45.06	394.45	7.09	-37.97
CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@@H](C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C2	REAL300020176524	0	51	-1.0	-43.72	394.51	6.80	-36.92
CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@@H](C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C2	REAL300020176524	1	51	-1.0	-43.70	394.55	6.80	-36.90
CCOC(=O)N1CSCC1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176525	0	39	-1.0	-44.15	338.77	4.98	-39.17
CCOC(=O)N1CSCC1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176525	1	39	-1.0	-44.09	338.80	4.98	-39.11
CC1CCC(C(=O)CCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CC1	REAL300020176526	0	47	-1.0	-41.61	366.54	7.64	-33.97
CC1CCC(C(=O)CCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CC1	REAL300020176526	1	47	-1.0	-41.58	366.60	7.64	-33.94
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(N2CCCCCC2)C=C1	REAL300020176527	0	48	-1.0	-40.33	364.51	7.11	-33.22
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(N2CCCCCC2)C=C1	REAL300020176527	1	48	-1.0	-40.33	364.55	7.11	-33.22
CC(SC1=CC=C(F)C=C1)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020176528	0	37	-1.0	-38.74	332.88	7.34	-31.40
CC(SC1=CC=C(F)C=C1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020176528	1	37	-1.0	-38.11	333.92	7.38	-30.73
C[NH+](C)CCOC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020178155	0	46	0.0	-62.83	369.56	7.18	-55.65
C[NH+](C)CCOC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020178155	1	46	0.0	-62.78	369.61	7.18	-55.60
CP(C)(=O)C1=CC=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020178156	0	39	-1.0	-47.64	341.54	5.06	-42.58
CP(C)(=O)C1=CC=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020178156	1	39	-1.0	-47.60	341.59	5.05	-42.55
CC(C)(C)C1CCC2=C(C=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C(=O)N2)C1	REAL300020178157	0	52	-1.0	-55.12	393.34	7.26	-47.86
CC(C)(C)C1CCC2=C(C=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C(=O)N2)C1	REAL300020178157	1	52	-1.0	-55.08	393.39	7.26	-47.82
O=C(CC1=C(F)C=CC(F)=C1Br)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020178158	0	33	-1.0	-41.09	314.22	6.71	-34.38
O=C(CC1=C(F)C=CC(F)=C1Br)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020178158	1	33	-1.0	-41.06	314.26	6.71	-34.35
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC(N=S2(=O)CCCC2)=C1	REAL300020178159	0	44	-1.0	-58.09	367.08	5.31	-52.78
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC(N=S2(=O)CCCC2)=C1	REAL300020178159	1	44	-1.0	-58.04	367.13	5.31	-52.73
CN1C=NC2=C1CCCC2C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020178160	0	40	-1.0	-50.53	324.80	7.25	-43.28
CN1C=NC2=C1CCCC2C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020178160	1	40	-1.0	-50.47	324.85	7.25	-43.22
CN=S(C)(=O)C1=CC=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020178161	0	40	-1.0	-47.34	349.65	2.91	-44.43
CN=S(C)(=O)C1=CC=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020178161	1	40	-1.0	-47.31	349.69	2.91	-44.40
CC(C)(C)OC(=O)NOCCCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020178162	0	47	-1.0	-44.98	387.52	4.35	-40.63
CC(C)(C)OC(=O)NOCCCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020178162	1	47	-1.0	-44.94	387.57	4.35	-40.59
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NOC(COC2=CC=CC=C2)=C1	REAL300020178163	0	40	-1.0	-46.04	351.02	6.14	-39.90
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NOC(COC2=CC=CC=C2)=C1	REAL300020178163	1	40	-1.0	-46.05	351.06	6.15	-39.90
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=NN1C(C)C(C)C	REAL300020178164	0	45	-1.0	-44.05	362.00	6.70	-37.35
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=NN1C(C)C(C)C	REAL300020178164	1	45	-1.0	-43.96	362.05	6.70	-37.26
CCCSC1=CC=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020178165	0	40	-1.0	-40.76	344.65	8.14	-32.62
CCCSC1=CC=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020178165	1	40	-1.0	-40.72	344.69	8.14	-32.58
COC1=CC=C2C(=C1)CCCC2C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020178166	0	44	-1.0	-41.02	351.64	7.14	-33.88
COC1=CC=C2C(=C1)CCCC2C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020178166	1	44	-1.0	-41.06	351.73	7.14	-33.92
COC1=CC=C(Cl)C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=N1	REAL300020178167	0	33	-1.0	-42.88	303.45	2.84	-40.04
COC1=CC=C(Cl)C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=N1	REAL300020178167	1	33	-1.0	-42.93	303.41	2.84	-40.09
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(C2=CC=CC(Cl)=C2)C=N1	REAL300020178168	0	39	-1.0	-47.04	348.83	7.67	-39.37
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(C2=CC=CC(Cl)=C2)C=N1	REAL300020178168	1	39	-1.0	-47.08	348.79	7.66	-39.42
CCCCSC1=CC=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020178169	0	43	-1.0	-40.76	366.14	8.92	-31.84
CCCCSC1=CC=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020178169	1	43	-1.0	-40.71	366.18	8.92	-31.79
CC1=NC=NC2=C1CC(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)CC2	REAL300020178170	0	41	-1.0	-38.90	331.52	6.33	-32.57
CC1=NC=NC2=C1CC(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)CC2	REAL300020178170	1	41	-1.0	-38.95	331.57	6.33	-32.62
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C(O)C1=CC=C(Cl)C=C1Cl	REAL300020178171	0	34	-1.0	-40.88	314.06	5.28	-35.60
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C(O)C1=CC=C(Cl)C=C1Cl	REAL300020178171	1	34	-1.0	-40.89	314.08	5.29	-35.60
CC(C)N(C)C(=O)CCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020178172	0	42	-1.0	-43.91	341.52	4.96	-38.95
CC(C)N(C)C(=O)CCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020178172	1	42	-1.0	-43.89	341.56	4.96	-38.93
CC1C(=O)N(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(=O)C1C	REAL300020178173	0	39	-1.0	-46.93	326.36	4.22	-42.71
CC1C(=O)N(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(=O)C1C	REAL300020178173	1	39	-1.0	-46.90	326.41	4.21	-42.69
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=COC2=CC=C(Br)C=C12	REAL300020178174	0	33	-1.0	-39.79	311.48	6.44	-33.35
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=COC2=CC=C(Br)C=C12	REAL300020178174	1	33	-1.0	-39.72	311.52	6.44	-33.28
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CCC(OC(F)(F)F)CC1	REAL300020178175	0	40	-1.0	-40.22	327.95	5.03	-35.19
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CCC(OC(F)(F)F)CC1	REAL300020178175	1	40	-1.0	-40.21	327.99	5.03	-35.18
O=C(CC1=CSC(Cl)=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020178176	0	30	-1.0	-37.31	292.15	5.69	-31.62
O=C(CC1=CSC(Cl)=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020178176	1	30	-1.0	-37.30	292.20	5.69	-31.61
CC(CC1=CC=C(Cl)C(Cl)=C1)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020178177	0	39	-1.0	-37.61	354.62	8.39	-29.22
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CC(C1CC1)N1CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CC1=O	REAL300020178204	0	44	-1.0	-41.89	351.93	5.94	-35.95
CC(C1CC1)N1CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CC1=O	REAL300020178204	1	44	-1.0	-41.88	351.98	5.94	-35.94
CCC1=CN2CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)CCC2=N1	REAL300020178205	0	43	-1.0	-39.51	348.91	6.91	-32.60
CCC1=CN2CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)CCC2=N1	REAL300020178205	1	43	-1.0	-39.51	348.95	6.91	-32.60
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O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(CC2=CC=CC=C2)C=C1	REAL300020178207	0	43	-1.0	-42.19	364.29	9.94	-32.25
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(CC2=CC=CC=C2)C=C1	REAL300020178207	1	43	-1.0	-42.10	364.33	9.94	-32.16
O=C(CC12CC(C1)C(=O)NC2)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020178208	0	38	-1.0	-40.95	308.02	2.63	-38.32
O=C(CC12CC(C1)C(=O)NC2)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020178208	1	38	-1.0	-40.98	308.14	2.65	-38.33
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O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN=CC(N2C=CN=C2)=N1	REAL300020178209	1	35	-1.0	-46.94	311.84	5.40	-41.54
CC1(C)CC2=CC=CC(CC(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=C2O1	REAL300020178210	0	44	-1.0	-44.98	362.48	7.35	-37.63
CC1(C)CC2=CC=CC(CC(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=C2O1	REAL300020178210	1	44	-1.0	-44.97	362.53	7.35	-37.62
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CC1=NC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1C#N	REAL300020178212	0	33	-1.0	-37.45	296.68	4.57	-32.88
CC1=NC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1C#N	REAL300020178212	1	33	-1.0	-37.50	295.72	4.54	-32.96
CN1C=NC2=CC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=C2C1=O	REAL300020178213	0	38	-1.0	-48.71	327.01	6.14	-42.57
CN1C=NC2=CC=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C2C1=O	REAL300020178213	1	38	-1.0	-48.75	326.96	6.13	-42.62
CC(C)(C)OC(=O)N[C@@H](CC1=CNC=N1)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020178214	0	50	-1.0	-46.06	399.81	4.24	-41.82
CC(C)(C)OC(=O)N[C@@H](CC1=CNC=N1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020178214	1	50	-1.0	-43.03	400.83	4.26	-38.77
CC(C)(C)OC(=O)NC1=CC=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1F	REAL300020178215	0	47	-1.0	-41.46	386.53	5.84	-35.62
CC(C)(C)OC(=O)NC1=CC=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1F	REAL300020178215	1	47	-1.0	-41.07	387.40	5.86	-35.21
CC(CNC(=O)OC(C)(C)C)C(F)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020178216	0	49	-1.0	-42.15	395.81	4.32	-37.83
CC(CNC(=O)OC(C)(C)C)C(F)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020178216	1	49	-1.0	-42.11	395.86	4.32	-37.79
CC(C)(C)OC(=O)N1CCC2(CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C2)C1	REAL300020178217	0	54	-1.0	-49.89	418.14	7.11	-42.78
CC(C)(C)OC(=O)N1CCC2(CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C2)C1	REAL300020178217	1	54	-1.0	-49.94	418.19	7.11	-42.83
CC(C)(C)OC(=O)N[C@@H](CF)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020178218	0	43	-1.0	-40.36	352.92	3.21	-37.15
CC(C)(C)OC(=O)N[C@@H](CF)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020178218	1	43	-1.0	-38.00	353.94	3.25	-34.75
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(Cl)=C(F)C(Cl)=C1	REAL300020178219	0	30	-1.0	-35.20	300.26	6.54	-28.66
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(Cl)=C(F)C(Cl)=C1	REAL300020178219	1	30	-1.0	-35.15	300.30	6.54	-28.61
C[C@@H]1C[C@H]1C(=O)NC1=CC=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020178220	0	44	-1.0	-51.24	369.33	6.65	-44.59
C[C@@H]1C[C@H]1C(=O)NC1=CC=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020178220	1	44	-1.0	-51.18	369.37	6.64	-44.54
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN([C@@H]2COC[C@@H]2F)N=N1	REAL300020178221	0	37	-1.0	-49.40	320.48	2.08	-47.32
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN([C@@H]2COC[C@@H]2F)N=N1	REAL300020178221	1	37	-1.0	-49.45	320.44	2.07	-47.38
CC1CCC(OCCCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CC1	REAL300020178222	0	49	-1.0	-39.55	383.83	7.39	-32.16
CC1CCC(OCCCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CC1	REAL300020178222	1	49	-1.0	-39.53	383.87	7.40	-32.13
CCC1(C)CCC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)O1	REAL300020178223	0	40	-1.0	-40.62	319.70	5.69	-34.93
CCC1(C)CCC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)O1	REAL300020178223	1	40	-1.0	-40.59	319.74	5.69	-34.90
C[C@@H]1C[C@H]1C(=O)NC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020178224	0	44	-1.0	-44.94	368.92	6.61	-38.33
C[C@@H]1C[C@H]1C(=O)NC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020178224	1	44	-1.0	-44.03	368.71	6.63	-37.40
O=C(CC1CC2=CC=CC=C2NC1=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020178225	0	41	-1.0	-44.03	339.58	6.37	-37.66
O=C(CC1CC2=CC=CC=C2NC1=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020178225	1	41	-1.0	-44.01	339.63	6.37	-37.64
CC1(C)C(=O)NC2CCC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)CC21	REAL300020178226	0	47	-1.0	-40.27	363.57	3.93	-36.34
CC1(C)C(=O)NC2CCC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)CC21	REAL300020178226	1	47	-1.0	-40.31	363.62	3.93	-36.38
COC1(C2=CC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=N2)CCOCC1	REAL300020178227	0	47	-1.0	-41.23	375.24	4.10	-37.13
COC1(C2=CC=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=N2)CCOCC1	REAL300020178227	1	47	-1.0	-41.26	375.19	4.10	-37.16
CC(C)(C)OC(=O)NCCC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=NO1	REAL300020178228	0	49	-1.0	-49.94	409.15	4.10	-45.84
CC(C)(C)OC(=O)NCCC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=NO1	REAL300020178228	1	49	-1.0	-49.91	409.19	4.11	-45.80
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C2SN=CC2=C1	REAL300020178229	0	32	-1.0	-38.59	293.13	5.67	-32.92
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C2SN=CC2=C1	REAL300020178229	1	32	-1.0	-38.59	293.09	5.67	-32.92
CN(CC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1)C1=CC=CC=C1	REAL300020178230	0	48	-1.0	-42.11	388.47	9.64	-32.47
CN(CC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1)C1=CC=CC=C1	REAL300020178230	1	48	-1.0	-42.06	388.51	9.64	-32.42
CN1C=NC2=CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=CC=C2C1=O	REAL300020178231	0	38	-1.0	-47.66	327.68	6.17	-41.49
CN1C=NC2=CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CC=C2C1=O	REAL300020178231	1	38	-1.0	-47.68	327.64	6.17	-41.51
CC1=NC2=CC(C(F)(F)F)=NN2C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020178232	0	38	-1.0	-48.91	343.27	6.39	-42.52
CC1=NC2=CC(C(F)(F)F)=NN2C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020178232	1	38	-1.0	-48.83	343.33	6.40	-42.43
COC1=CC([C@@H]2C[C@H]2C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C(OC)C=C1C	REAL300020178233	0	48	-1.0	-42.39	390.95	6.87	-35.52
COC1=CC([C@@H]2C[C@H]2C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C(OC)C=C1C	REAL300020178233	1	48	-1.0	-44.12	392.00	6.89	-37.23
O=C(CC1CCCCC1(F)F)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020178234	0	39	-1.0	-39.40	315.95	6.47	-32.93
O=C(CC1CCCCC1(F)F)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020178234	1	39	-1.0	-39.34	316.01	6.48	-32.86
CC(C)(C)OC(=O)N[C@@H]1[C@H](C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1(C)C	REAL300020178235	0	50	-1.0	-41.32	393.43	5.42	-35.90
CC(C)(C)OC(=O)N[C@@H]1[C@H](C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1(C)C	REAL300020178235	1	50	-1.0	-41.29	393.48	5.43	-35.86
CN1N=CC=C1C1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020178236	0	40	-1.0	-41.97	336.77	6.46	-35.51
CN1N=CC=C1C1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020178236	1	40	-1.0	-42.02	336.72	6.45	-35.57
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CC2(CC(F)C2)C1	REAL300020178237	0	37	-1.0	-41.91	307.28	6.38	-35.53
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CC2(CC(F)C2)C1	REAL300020178237	1	37	-1.0	-41.92	307.33	6.39	-35.53
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=CN=NN2C=C1	REAL300020178238	0	32	-1.0	-39.33	282.95	4.07	-35.26
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=CN=NN2C=C1	REAL300020178238	1	32	-1.0	-39.37	282.90	4.06	-35.31
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C12CCC(C1)S(=O)(=O)CC2	REAL300020178239	0	40	-1.0	-43.55	321.41	2.57	-40.98
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C12CCC(C1)S(=O)(=O)CC2	REAL300020178239	1	40	-1.0	-43.53	321.45	2.58	-40.95
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CCCC2=NC=CC=C21	REAL300020178240	0	39	-1.0	-39.83	314.47	6.32	-33.51
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CCCC2=NC=CC=C21	REAL300020178240	1	39	-1.0	-39.84	314.51	6.32	-33.52
CN1C=C(SCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=N1	REAL300020178241	0	34	-1.0	-42.20	308.88	4.43	-37.77
CN1C=C(SCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=N1	REAL300020178241	1	34	-1.0	-42.19	308.83	4.43	-37.76
CCSC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020178242	0	50	-1.0	-39.65	408.59	5.06	-34.59
CCSC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020178242	1	50	-1.0	-37.60	409.61	5.09	-32.51
O=C(CCC1=C(F)C=CC=C1Cl)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020178243	0	36	-1.0	-41.32	326.88	7.41	-33.91
O=C(CCC1=C(F)C=CC=C1Cl)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020178243	1	36	-1.0	-41.37	326.93	7.42	-33.95
CN1C=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C2=CC(Cl)=CC=C21	REAL300020178244	0	37	-1.0	-43.38	332.87	7.67	-35.71
CN1C=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C2=CC(Cl)=CC=C21	REAL300020178244	1	37	-1.0	-43.39	332.92	7.67	-35.72
O=C(CC1CC2(CCC2)CO1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020178245	0	41	-1.0	-40.19	329.60	5.88	-34.31
O=C(CC1CC2(CCC2)CO1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020178245	1	41	-1.0	-40.21	329.64	5.89	-34.32
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(CCF)C=C1	REAL300020178246	0	36	-1.0	-40.85	310.97	7.06	-33.79
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(CCF)C=C1	REAL300020178246	1	36	-1.0	-40.87	311.01	7.06	-33.81
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CC2=CSC=C2C1	REAL300020178247	0	34	-1.0	-37.70	297.60	6.14	-31.56
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CC2=CSC=C2C1	REAL300020178247	1	34	-1.0	-37.67	297.64	6.14	-31.53
CC1=CN2C=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=CC2=N1	REAL300020178248	0	36	-1.0	-41.20	309.74	6.64	-34.56
CC1=CN2C=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=CC2=N1	REAL300020178248	1	36	-1.0	-41.22	309.78	6.64	-34.58
[N-]=[N+]=NC1=CN=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020178249	0	31	-1.0	-37.08	284.19	1.42	-35.66
[N-]=[N+]=NC1=CN=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020178249	1	31	-1.0	-37.02	284.24	1.42	-35.60
[N-]=[N+]=NC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=C1[O-]	REAL300020178250	0	32	-2.0	-86.73	296.65	1.27	-85.46
[N-]=[N+]=NC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC=C1[O-]	REAL300020178250	1	32	-2.0	-86.75	296.70	1.27	-85.48
[N-]=[N+]=N[C@H]1CC[C@@H](C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CC1	REAL300020178251	0	38	-1.0	-39.10	313.61	2.53	-36.57
[N-]=[N+]=N[C@H]1CC[C@@H](C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CC1	REAL300020178251	1	38	-1.0	-39.14	313.66	2.53	-36.61
[N-]=[N+]=N[C@H]1CC[C@H](C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CC1	REAL300020178252	0	38	-1.0	-37.43	315.96	2.27	-35.16
[N-]=[N+]=N[C@H]1CC[C@H](C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CC1	REAL300020178252	1	38	-1.0	-37.41	316.00	2.28	-35.13
[N-]=[N+]=N[C@@H]1C=CC[C@@H](C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020178253	0	36	-1.0	-36.96	307.05	2.23	-34.73
[N-]=[N+]=N[C@@H]1C=CC[C@@H](C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020178253	1	36	-1.0	-37.01	307.10	2.24	-34.77
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(N2CCNS2(=O)=O)C=C1	REAL300020178254	0	41	-1.0	-48.88	353.93	1.58	-47.30
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(N2CCNS2(=O)=O)C=C1	REAL300020178254	1	41	-1.0	-48.90	353.98	1.58	-47.32
[N-]=[N+]=NCC(F)(F)CCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020178255	0	34	-1.0	-40.57	310.17	1.51	-39.06
[N-]=[N+]=NCC(F)(F)CCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020178255	1	34	-1.0	-40.50	310.22	1.51	-38.99
[N-]=[N+]=NCC1=NN2CCCC2=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020178256	0	39	-1.0	-43.85	343.94	1.18	-42.67
[N-]=[N+]=NCC1=NN2CCCC2=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020178256	1	39	-1.0	-43.84	343.98	1.18	-42.66
CC1=NC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C2C=CNC2=N1	REAL300020178257	0	35	-1.0	-48.54	303.92	4.53	-44.01
CC1=NC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C2C=CNC2=N1	REAL300020178257	1	35	-1.0	-48.57	303.96	4.54	-44.03
[N-]=[N+]=NC1=CC=CC=C1CCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020178258	0	38	-1.0	-38.93	333.93	4.74	-34.19
[N-]=[N+]=NC1=CC=CC=C1CCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020178258	1	38	-1.0	-38.95	333.97	4.76	-34.19
CCC1=CC=CC(CC)=C1CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020178259	0	45	-1.0	-39.31	354.58	8.42	-30.89
CCC1=CC=CC(CC)=C1CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020178259	1	45	-1.0	-39.35	354.63	8.43	-30.92
CC1(C)CCCC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CC1	REAL300020178260	0	45	-1.0	-38.22	327.65	6.98	-31.24
CC1(C)CCCC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CC1	REAL300020178260	1	45	-1.0	-38.21	327.70	6.98	-31.23
O=C(CC1=CC=CC(OCC2CC2)=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020178261	0	44	-1.0	-42.11	368.16	7.94	-34.17
O=C(CC1=CC=CC(OCC2CC2)=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020178261	1	44	-1.0	-42.09	368.21	7.94	-34.15
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CC2(CC(OCC3=CC=CC=C3)C2)C1	REAL300020178262	0	51	-1.0	-40.35	415.91	9.28	-31.07
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CC2(CC(OCC3=CC=CC=C3)C2)C1	REAL300020178262	1	51	-1.0	-40.37	415.95	9.28	-31.09
CC(C)[C@H]1CC[C@@H](C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CC1	REAL300020178263	0	45	-1.0	-38.26	335.90	7.28	-30.98
CC(C)[C@H]1CC[C@@H](C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CC1	REAL300020178263	1	45	-1.0	-38.25	335.95	7.28	-30.97
CC(C)N1C=C(C2CC2C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=N1	REAL300020178264	0	43	-1.0	-44.00	350.16	6.50	-37.50
CC(C)N1C=C(C2CC2C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=N1	REAL300020178264	1	43	-1.0	-44.00	350.12	6.51	-37.49
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(OCC(F)F)C=C1	REAL300020178265	0	37	-1.0	-42.85	325.77	6.04	-36.81
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(OCC(F)F)C=C1	REAL300020178265	1	37	-1.0	-42.73	325.81	6.03	-36.70
CC1CC(=O)NCC1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020178266	0	37	-1.0	-38.87	302.70	2.13	-36.74
CC1CC(=O)NCC1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020178266	1	37	-1.0	-38.83	302.77	2.14	-36.69
CCN1N=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(Cl)=C1Br	REAL300020178267	0	33	-1.0	-42.25	323.22	5.05	-37.20
CCN1N=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(Cl)=C1Br	REAL300020178267	1	33	-1.0	-42.32	323.18	5.05	-37.27
NC(=O)C1=CC(F)=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020178268	0	34	-1.0	-44.63	302.40	2.34	-42.29
NC(=O)C1=CC(F)=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020178268	1	34	-1.0	-44.59	302.45	2.34	-42.25
CN1N=C(Br)C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=N1	REAL300020178269	0	29	-1.0	-41.62	280.44	2.07	-39.55
CN1N=C(Br)C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=N1	REAL300020178269	1	29	-1.0	-41.67	280.41	2.07	-39.60
CC1(C)C(C)(C)C1(F)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020178270	0	39	-1.0	-40.60	309.07	6.06	-34.54
CC1(C)C(C)(C)C1(F)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020178270	1	39	-1.0	-40.56	309.12	6.08	-34.48
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN(C2=CC=CC(Cl)=C2)C(=O)C=C1	REAL300020178271	0	40	-1.0	-43.21	361.58	8.12	-35.09
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN(C2=CC=CC(Cl)=C2)C(=O)C=C1	REAL300020178271	1	40	-1.0	-43.18	361.62	8.12	-35.06
CC(C)(C)OC(=O)N1CC2=C(C1)C(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)=CO2	REAL300020178272	0	48	-1.0	-42.19	396.30	5.88	-36.31
CC(C)(C)OC(=O)N1CC2=C(C1)C(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)=CO2	REAL300020178272	1	48	-1.0	-42.17	396.34	5.88	-36.29
CC(C)(C)OC(=O)NC1CCCC2C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C21	REAL300020178273	0	54	-1.0	-41.90	401.18	6.82	-35.08
CC(C)(C)OC(=O)NC1CCCC2C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C21	REAL300020178273	1	54	-1.0	-41.84	401.22	6.82	-35.02
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=CC=CC=C2C([N+](=O)[O-])=C1	REAL300020178274	0	38	-1.0	-48.20	331.42	8.28	-39.92
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=CC=CC=C2C([N+](=O)[O-])=C1	REAL300020178274	1	38	-1.0	-48.12	331.49	8.27	-39.85
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CCOC2(CCCCC2)C1	REAL300020178275	0	47	-1.0	-38.40	351.50	6.44	-31.96
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CCOC2(CCCCC2)C1	REAL300020178275	1	47	-1.0	-38.42	351.54	6.44	-31.98
O=C(CC(C1=CC=C(F)C(F)=C1)C1CC1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020178276	0	43	-1.0	-37.70	364.36	8.98	-28.72
O=C(CC(C1=CC=C(F)C(F)=C1)C1CC1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020178276	1	43	-1.0	-37.69	364.40	8.99	-28.70
CC1(C)CC(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CO1	REAL300020178277	0	40	-1.0	-39.44	322.19	4.72	-34.72
CC1(C)CC(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CO1	REAL300020178277	1	40	-1.0	-39.38	322.23	4.72	-34.66
CC(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC2=CC=CC=C21	REAL300020178278	0	42	-1.0	-40.73	342.41	8.81	-31.92
CC(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC2=CC=CC=C21	REAL300020178278	1	42	-1.0	-40.77	342.46	8.82	-31.95
COC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC(F)=C1F	REAL300020178279	0	34	-1.0	-38.84	303.47	4.91	-33.93
COC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC(F)=C1F	REAL300020178279	1	34	-1.0	-38.77	303.51	4.92	-33.85
COC1=CC2=CC=CN=C2C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020178280	0	39	-1.0	-50.93	330.03	5.59	-45.34
COC1=CC2=CC=CN=C2C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020178280	1	39	-1.0	-50.92	329.98	5.59	-45.33
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(C(F)(F)F)=NC=C1Cl	REAL300020178281	0	32	-1.0	-37.40	309.92	5.33	-32.07
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(C(F)(F)F)=NC=C1Cl	REAL300020178281	1	32	-1.0	-37.42	309.87	5.33	-32.09
O=C(CC1CCC(=O)NC1=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020178282	0	36	-1.0	-49.81	302.88	3.00	-46.81
O=C(CC1CCC(=O)NC1=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020178282	1	36	-1.0	-49.83	302.93	3.00	-46.83
CCN1N=C(Br)C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=N1	REAL300020178283	0	32	-1.0	-41.42	302.23	2.91	-38.51
CCN1N=C(Br)C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=N1	REAL300020178283	1	32	-1.0	-41.83	303.20	2.93	-38.90
CC(C)(C)C1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(Cl)=N1	REAL300020178284	0	41	-1.0	-38.89	348.42	6.74	-32.15
CC(C)(C)C1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(Cl)=N1	REAL300020178284	1	41	-1.0	-38.87	348.37	6.73	-32.14
CN1C(=O)NC2(CCC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)CC2)C1=O	REAL300020178285	0	45	-1.0	-41.17	363.20	3.47	-37.70
CN1C(=O)NC2(CCC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)CC2)C1=O	REAL300020178285	1	45	-1.0	-41.20	363.24	3.47	-37.73
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC(C2=NNC=C2)=C1	REAL300020178286	0	37	-1.0	-47.36	320.33	5.52	-41.84
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC(C2=NNC=C2)=C1	REAL300020178286	1	37	-1.0	-47.29	320.37	5.52	-41.77
CC1=C2NN=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C2=CC=C1	REAL300020178287	0	36	-1.0	-46.47	310.79	4.77	-41.70
CC1=C2NN=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C2=CC=C1	REAL300020178287	1	36	-1.0	-46.44	310.84	4.77	-41.67
CC1=C2NN=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C2=CC(Br)=C1	REAL300020178288	0	36	-1.0	-44.24	333.09	5.40	-38.84
CC1=C2NN=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C2=CC(Br)=C1	REAL300020178288	1	36	-1.0	-44.19	333.14	5.40	-38.79
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CCC2(CCOCC2)O1	REAL300020178289	0	42	-1.0	-40.49	333.60	4.50	-35.99
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CCC2(CCOCC2)O1	REAL300020178289	1	42	-1.0	-40.51	333.64	4.50	-36.01
CC1=CC=CC=C1C1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=NO1	REAL300020178290	0	39	-1.0	-44.67	339.38	7.11	-37.56
CC1=CC=CC=C1C1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=NO1	REAL300020178290	1	39	-1.0	-44.76	339.33	7.11	-37.65
CC(F)(F)C1=CC=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=N1	REAL300020178291	0	35	-1.0	-42.49	312.90	5.52	-36.97
CC(F)(F)C1=CC=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=N1	REAL300020178291	1	35	-1.0	-42.48	312.86	5.52	-36.96
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC2=C1COC2	REAL300020178292	0	35	-1.0	-41.50	295.01	4.79	-36.71
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC2=C1COC2	REAL300020178292	1	35	-1.0	-41.50	295.05	4.79	-36.71
CC(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC=C1Cl	REAL300020178293	0	36	-1.0	-40.75	315.53	7.11	-33.64
CC(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC=C1Cl	REAL300020178293	1	36	-1.0	-40.75	315.58	7.11	-33.64
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC(CC2=CC=CC=N2)=C1	REAL300020178294	0	42	-1.0	-43.75	358.67	8.14	-35.61
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC(CC2=CC=CC=N2)=C1	REAL300020178294	1	42	-1.0	-43.72	358.72	8.14	-35.58
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=COC2=C(F)C=C(Cl)C=C12	REAL300020178295	0	33	-1.0	-37.28	313.33	6.39	-30.89
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=COC2=C(F)C=C(Cl)C=C12	REAL300020178295	1	33	-1.0	-37.27	313.37	6.40	-30.87
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NC2=NC=CN2C=C1	REAL300020178296	0	32	-1.0	-56.45	284.33	6.65	-49.80
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NC2=NC=CN2C=C1	REAL300020178296	1	32	-1.0	-56.49	284.28	6.65	-49.84
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CCC2(CC1)NC(=O)NC2=O	REAL300020178297	0	42	-1.0	-41.25	342.08	1.13	-40.12
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CCC2(CC1)NC(=O)NC2=O	REAL300020178297	1	42	-1.0	-41.25	342.13	1.13	-40.12
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=C(I)C=CS1	REAL300020178298	0	27	-1.0	-38.66	277.02	5.58	-33.08
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=C(I)C=CS1	REAL300020178298	1	27	-1.0	-38.61	277.07	5.58	-33.03
CCCN1C=C(Cl)C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=N1	REAL300020178299	0	36	-1.0	-46.88	325.07	5.38	-41.50
CCCN1C=C(Cl)C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=N1	REAL300020178299	1	36	-1.0	-46.92	325.03	5.38	-41.54
CC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C(Cl)N=C1C	REAL300020178300	0	35	-1.0	-40.08	307.78	5.30	-34.78
CC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C(Cl)N=C1C	REAL300020178300	1	35	-1.0	-40.09	307.82	5.31	-34.78
COC(=O)C1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1C(F)(F)F	REAL300020178301	0	39	-1.0	-38.09	346.35	6.92	-31.17
COC(=O)C1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1C(F)(F)F	REAL300020178301	1	39	-1.0	-38.07	346.39	6.92	-31.15
COC(=O)C1CCC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020178302	0	39	-1.0	-39.36	321.91	5.63	-33.73
COC(=O)C1CCC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020178302	1	39	-1.0	-39.42	321.96	5.64	-33.78
COC(=O)C1=NNC2=CC=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C21	REAL300020178303	0	39	-1.0	-43.93	343.20	4.82	-39.11
COC(=O)C1=NNC2=CC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=C21	REAL300020178303	1	39	-1.0	-43.96	343.24	4.83	-39.13
CC(C)(C)C1CCNC2=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=NN21	REAL300020178304	0	48	-1.0	-44.20	368.42	5.80	-38.40
CC(C)(C)C1CCNC2=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=NN21	REAL300020178304	1	48	-1.0	-45.56	369.39	5.80	-39.76
CNC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)SC2=NC=CN=C21	REAL300020178305	0	36	-1.0	-46.28	323.13	2.26	-44.02
CNC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)SC2=NC=CN=C21	REAL300020178305	1	36	-1.0	-46.31	323.08	2.25	-44.06
CC1=NN=C2SC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=C(N)C2=C1C	REAL300020178306	0	39	-1.0	-48.95	332.55	3.46	-45.49
CC1=NN=C2SC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=C(N)C2=C1C	REAL300020178306	1	39	-1.0	-48.93	332.61	3.46	-45.47
CC1=C(Cl)C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=NN1	REAL300020178307	0	30	-1.0	-45.22	279.92	2.96	-42.26
CC1=C(Cl)C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=NN1	REAL300020178307	1	30	-1.0	-45.18	279.95	2.97	-42.21
CC1=NNC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1Cl	REAL300020178307	1	30	-1.0	-37.12	279.13	3.03	-34.09
CC1=NNC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1Cl	REAL300020178307	1	30	-1.0	-37.14	280.18	3.05	-34.09
NC(=O)C1=CC=C(F)C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020178308	0	34	-1.0	-54.76	300.52	2.36	-52.40
NC(=O)C1=CC=C(F)C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020178308	1	34	-1.0	-54.76	300.57	2.36	-52.40
CC(C)(C)OC(=O)N1CC(N=[N+]=[N-])(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020178309	0	46	-1.0	-40.83	381.48	1.88	-38.95
CC(C)(C)OC(=O)N1CC(N=[N+]=[N-])(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020178309	1	46	-1.0	-40.77	381.53	1.88	-38.89
[N-]=[N+]=NC12CCC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)(CC1)C2	REAL300020178310	0	39	-1.0	-36.77	322.50	2.56	-34.21
[N-]=[N+]=NC12CCC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)(CC1)C2	REAL300020178310	1	39	-1.0	-36.72	322.55	2.56	-34.16
CC(C)(C)OC(=O)N1CCC(N=[N+]=[N-])(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020178311	0	49	-1.0	-46.07	395.79	2.72	-43.35
CC(C)(C)OC(=O)N1CCC(N=[N+]=[N-])(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020178311	1	49	-1.0	-46.06	395.84	2.72	-43.34
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NOC(C2=CC=C3OCOC3=C2)=C1	REAL300020178312	0	39	-1.0	-46.87	346.20	5.17	-41.70
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NOC(C2=CC=C3OCOC3=C2)=C1	REAL300020178312	1	39	-1.0	-46.87	346.15	5.17	-41.70
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(C2CCC2)=NO1	REAL300020178313	0	36	-1.0	-41.18	306.77	5.43	-35.75
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(C2CCC2)=NO1	REAL300020178313	1	36	-1.0	-41.18	306.81	5.43	-35.75
CC(C)C1=NOC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020178314	0	37	-1.0	-42.73	312.99	5.15	-37.58
CC(C)C1=NOC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020178314	1	37	-1.0	-42.75	313.03	5.15	-37.60
CC1=CC(C(F)(F)C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CS1	REAL300020178315	0	33	-1.0	-40.60	307.66	6.02	-34.58
CC1=CC(C(F)(F)C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CS1	REAL300020178315	1	33	-1.0	-40.54	307.70	6.02	-34.52
[N-]=[N+]=NC1=CC=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020178316	0	32	-1.0	-37.13	289.07	3.19	-33.94
[N-]=[N+]=NC1=CC=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020178316	1	32	-1.0	-37.09	289.12	3.20	-33.89
CC(C)(C)OC(=O)N1C[C@@H](N=[N+]=[N-])C[C@H]1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020178317	0	49	-1.0	-45.91	404.26	2.43	-43.48
CC(C)(C)OC(=O)N1C[C@@H](N=[N+]=[N-])C[C@H]1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020178317	1	49	-1.0	-41.77	405.32	2.47	-39.30
CC(C)(C)OC(=O)N1C[C@H](N=[N+]=[N-])C[C@H]1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020178318	0	49	-1.0	-49.12	404.12	2.40	-46.72
CC(C)(C)OC(=O)N1C[C@H](N=[N+]=[N-])C[C@H]1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020178318	1	49	-1.0	-49.05	404.17	2.41	-46.64
[N-]=[N+]=NCC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)O1	REAL300020178319	0	32	-1.0	-43.89	296.77	0.94	-42.95
[N-]=[N+]=NCC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)O1	REAL300020178319	1	32	-1.0	-43.86	296.80	0.95	-42.91
CC1=NN(CC(F)(F)F)C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020178320	0	36	-1.0	-38.30	312.30	5.71	-32.59
CC1=NN(CC(F)(F)F)C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020178320	1	36	-1.0	-38.27	312.40	5.71	-32.56
[N-]=[N+]=NCCCCCCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020178321	0	40	-1.0	-39.05	342.27	2.94	-36.11
[N-]=[N+]=NCCCCCCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020178321	1	40	-1.0	-39.02	342.31	2.94	-36.08
[N-]=[N+]=NCC1=CC=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020178322	0	35	-1.0	-40.52	313.03	2.76	-37.76
[N-]=[N+]=NCC1=CC=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020178322	1	35	-1.0	-40.51	313.07	2.76	-37.75
[N-]=[N+]=NCCCCCCCCCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020178323	0	49	-1.0	-39.28	406.76	5.29	-33.99
[N-]=[N+]=NCCCCCCCCCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020178323	1	49	-1.0	-39.30	406.81	5.29	-34.01
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C(Cl)N=C1Cl	REAL300020178324	0	32	-1.0	-35.45	302.79	5.14	-30.31
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C(Cl)N=C1Cl	REAL300020178324	1	32	-1.0	-35.44	302.67	5.16	-30.28
CC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(N=[N+]=[N-])=C1	REAL300020178325	0	35	-1.0	-40.18	309.03	4.15	-36.03
CC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(N=[N+]=[N-])=C1	REAL300020178325	1	35	-1.0	-40.15	309.07	4.15	-36.00
CCOCC(N=[N+]=[N-])C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020178326	0	35	-1.0	-37.39	310.42	-0.21	-37.60
CCOCC(N=[N+]=[N-])C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020178326	1	35	-1.0	-37.37	310.47	-0.21	-37.58
CN1C=C(C(F)(F)C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=N1	REAL300020178327	0	33	-1.0	-43.45	300.16	4.07	-39.38
CN1C=C(C(F)(F)C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=N1	REAL300020178327	1	33	-1.0	-43.46	300.11	4.05	-39.41
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(CN2CCOCC2)C=C1	REAL300020178328	0	46	-1.0	-41.44	370.34	4.57	-36.87
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(CN2CCOCC2)C=C1	REAL300020178328	1	46	-1.0	-41.44	370.38	4.57	-36.87
O=C(CC1CC[NH+](CC2=CC=CC=C2)CC1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020178329	0	52	0.0	-58.29	401.45	9.84	-48.45
O=C(CC1CC[NH+](CC2=CC=CC=C2)CC1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020178329	1	52	0.0	-58.29	401.49	9.85	-48.44
CC1CN(CC2=CC=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C2)CCO1	REAL300020178330	0	49	-1.0	-41.39	390.62	5.12	-36.27
CC1CN(CC2=CC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=C2)CCO1	REAL300020178330	1	49	-1.0	-41.31	390.67	5.12	-36.19
CC1C[N@H+](CC2=CC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=C2)CCO1	REAL300020178330	1	50	0.0	-65.39	386.25	7.54	-57.85
CC1C[N@@H+](CC2=CC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=C2)CCO1	REAL300020178330	1	50	0.0	-63.82	387.31	7.56	-56.26
CCNC(=O)N1CCC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CC1	REAL300020178331	0	45	-1.0	-43.37	358.08	4.28	-39.09
CCNC(=O)N1CCC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CC1	REAL300020178331	1	45	-1.0	-46.46	357.10	4.25	-42.21
COC1=CC([C@@H](C)CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=C1C	REAL300020178332	0	46	-1.0	-39.19	370.53	7.44	-31.75
COC1=CC([C@@H](C)CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC=C1C	REAL300020178332	1	46	-1.0	-39.17	370.57	7.44	-31.73
C#CC1=CC=CC(OCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020178333	0	36	-1.0	-41.94	321.29	7.12	-34.82
C#CC1=CC=CC(OCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020178333	1	36	-1.0	-41.91	321.34	7.12	-34.79
O=C(C=CC1=CC=C2CCOCC2=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020178334	0	42	-1.0	-41.80	349.74	6.75	-35.05
O=C(C=CC1=CC=C2CCOCC2=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020178334	1	42	-1.0	-41.74	349.79	6.75	-34.99
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CCCC2(CCC2)C1	REAL300020178335	0	43	-1.0	-38.61	330.92	7.36	-31.25
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CCCC2(CCC2)C1	REAL300020178335	1	43	-1.0	-38.60	330.97	7.36	-31.24
CC(C)CN1N=CC=C1[C@@H]1C[C@H]1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020178336	0	46	-1.0	-40.92	372.19	7.05	-33.87
CC(C)CN1N=CC=C1[C@@H]1C[C@H]1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020178336	1	46	-1.0	-40.88	372.23	7.05	-33.83
CC(C)CN1C=C([C@@H]2C[C@H]2C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=N1	REAL300020178337	0	46	-1.0	-42.53	376.92	7.77	-34.76
CC(C)CN1C=C([C@@H]2C[C@H]2C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=N1	REAL300020178337	1	46	-1.0	-41.76	375.87	7.75	-34.01
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)[C@@H]1C[C@H]1C1=CN(C2=CC=CC=C2)N=C1	REAL300020178338	0	44	-1.0	-44.72	374.55	8.72	-36.00
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)[C@@H]1C[C@H]1C1=CN(C2=CC=CC=C2)N=C1	REAL300020178338	1	44	-1.0	-43.39	373.50	8.70	-34.69
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CC2CCCCCCC21	REAL300020178339	0	46	-1.0	-39.67	338.26	7.67	-32.00
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CC2CCCCCCC21	REAL300020178339	1	46	-1.0	-39.64	338.31	7.68	-31.96
CC(C)(C)OC(=O)N1CCC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1(C)C	REAL300020178340	0	53	-1.0	-39.65	406.92	6.60	-33.05
CC(C)(C)OC(=O)N1CCC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1(C)C	REAL300020178340	1	53	-1.0	-43.02	405.98	6.58	-36.44
CC1CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CCS1	REAL300020178341	0	37	-1.0	-36.93	306.65	6.12	-30.81
CC1CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CCS1	REAL300020178341	1	37	-1.0	-36.88	306.69	6.12	-30.76
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NN2CC3(CC3)CC2=C1	REAL300020178342	0	38	-1.0	-48.58	321.87	5.39	-43.19
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NN2CC3(CC3)CC2=C1	REAL300020178342	1	38	-1.0	-48.61	321.91	5.39	-43.22
CC(C)(C)OC(=O)C1CC12CCC(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C2	REAL300020178343	0	52	-1.0	-39.70	409.71	9.12	-30.58
CC(C)(C)OC(=O)C1CC12CCC(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C2	REAL300020178343	1	52	-1.0	-39.68	409.76	9.12	-30.56
O=C(CC1=CC=C2OC=NC2=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020178344	0	35	-1.0	-45.20	306.86	3.03	-42.17
O=C(CC1=CC=C2OC=NC2=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020178344	1	35	-1.0	-45.16	306.90	3.04	-42.12
COC1CC(CCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020178345	0	40	-1.0	-39.94	328.29	4.95	-34.99
COC1CC(CCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020178345	1	40	-1.0	-39.90	328.33	4.95	-34.95
CCCCC[C@@H](O)CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020178346	0	42	-1.0	-39.94	341.76	4.56	-35.38
CCCCC[C@@H](O)CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020178346	1	42	-1.0	-39.92	341.80	4.56	-35.36
CC1=NC2=C(C#N)C=NN2C=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020178347	0	36	-1.0	-38.38	319.91	5.51	-32.87
CC1=NC2=C(C#N)C=NN2C=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020178347	1	36	-1.0	-38.38	319.98	5.51	-32.87
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)N2C=CC=CC2=N1	REAL300020178348	0	36	-1.0	-40.49	296.23	6.29	-34.20
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)N2C=CC=CC2=N1	REAL300020178348	1	36	-1.0	-40.46	296.26	6.30	-34.16
CC(C)CC1=NC=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=N1	REAL300020178349	0	40	-1.0	-43.34	336.32	5.51	-37.83
CC(C)CC1=NC=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=N1	REAL300020178349	1	40	-1.0	-43.31	336.36	5.51	-37.80
CN1C=C(Br)C(OCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=N1	REAL300020178350	0	34	-1.0	-45.71	322.54	3.02	-42.69
CN1C=C(Br)C(OCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=N1	REAL300020178350	1	34	-1.0	-45.75	322.49	3.01	-42.74
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NN2C=CC=NC2=C1Cl	REAL300020178351	0	32	-1.0	-51.26	301.30	4.76	-46.50
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NN2C=CC=NC2=C1Cl	REAL300020178351	1	32	-1.0	-51.27	301.25	4.76	-46.51
CC(C)(C)OC(=O)NC[C@@]1(F)C[C@H](C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020178352	0	50	-1.0	-44.49	402.60	4.93	-39.56
CC(C)(C)OC(=O)NC[C@@]1(F)C[C@H](C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020178352	1	50	-1.0	-43.23	401.64	4.91	-38.32
CC(C)(C)OC(=O)NC[C@@]1(F)C[C@@H](C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020178353	0	50	-1.0	-41.22	406.15	4.95	-36.27
CC(C)(C)OC(=O)NC[C@@]1(F)C[C@@H](C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020178353	1	50	-1.0	-41.13	406.19	4.96	-36.17
CC(C)(C)OC(=O)N[C@@H]1C[C@]2(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C[C@H]12	REAL300020178354	0	48	-1.0	-41.80	389.29	4.93	-36.87
CC(C)(C)OC(=O)N[C@@H]1C[C@]2(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C[C@H]12	REAL300020178354	1	48	-1.0	-44.74	390.35	4.97	-39.77
COC(=O)[C@@H]1C[C@@]1(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C(C)C	REAL300020178355	0	42	-1.0	-45.78	339.25	6.80	-38.98
COC(=O)[C@@H]1C[C@@]1(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C(C)C	REAL300020178355	1	42	-1.0	-45.73	339.29	6.82	-38.91
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=C2C=CC=CN2C(Br)=N1	REAL300020178356	0	33	-1.0	-52.99	310.34	6.52	-46.47
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=C2C=CC=CN2C(Br)=N1	REAL300020178356	1	33	-1.0	-53.03	310.30	6.51	-46.52
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CCCCNC1=O	REAL300020178357	0	37	-1.0	-44.57	287.46	2.72	-41.85
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CCCCNC1=O	REAL300020178357	1	37	-1.0	-44.50	287.51	2.72	-41.78
COCCN1C=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1=O	REAL300020178358	0	40	-1.0	-58.03	337.80	4.57	-53.46
COCCN1C=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1=O	REAL300020178358	1	40	-1.0	-58.02	337.89	4.57	-53.45
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=C2NC(=O)CCC2=CC=C1	REAL300020178359	0	38	-1.0	-46.34	315.38	5.07	-41.27
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=C2NC(=O)CCC2=CC=C1	REAL300020178359	1	38	-1.0	-46.35	315.43	5.07	-41.28
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NN(CC(F)(F)F)C=C1Cl	REAL300020178360	0	33	-1.0	-50.31	320.57	5.10	-45.21
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NN(CC(F)(F)F)C=C1Cl	REAL300020178360	1	33	-1.0	-50.35	320.52	5.10	-45.25
CC1=CC=C(F)C=C1C(F)(F)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020178361	0	36	-1.0	-39.26	315.82	6.71	-32.55
CC1=CC=C(F)C=C1C(F)(F)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020178361	1	36	-1.0	-39.20	315.88	6.71	-32.49
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CN(C2CCC2)C1=O	REAL300020178362	0	40	-1.0	-62.21	327.67	6.45	-55.76
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CN(C2CCC2)C1=O	REAL300020178362	1	40	-1.0	-61.06	326.16	6.48	-54.58
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NN(CC(F)F)C=C1[N+](=O)[O-]	REAL300020178363	0	35	-1.0	-48.72	324.23	5.87	-42.85
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NN(CC(F)F)C=C1[N+](=O)[O-]	REAL300020178363	1	35	-1.0	-48.70	324.19	5.87	-42.83
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C(F)(F)C1=CC(F)=CC=C1F	REAL300020178364	0	33	-1.0	-42.85	307.00	6.32	-36.53
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C(F)(F)C1=CC(F)=CC=C1F	REAL300020178364	1	33	-1.0	-42.86	307.05	6.32	-36.54
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C(F)(F)C1=CC=CC(F)=C1F	REAL300020178365	0	33	-1.0	-48.03	306.89	6.33	-41.70
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C(F)(F)C1=CC=CC(F)=C1F	REAL300020178365	1	33	-1.0	-47.96	306.94	6.33	-41.63
CCC1=CC=CC=C1C(F)(F)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020178366	0	39	-1.0	-42.80	326.17	7.21	-35.59
CCC1=CC=CC=C1C(F)(F)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020178366	1	39	-1.0	-42.72	326.22	7.21	-35.51
O=C(CC(C1=CC=CC=C1)N1C=NN=N1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020178367	0	41	-1.0	-43.68	349.01	6.48	-37.20
O=C(CC(C1=CC=CC=C1)N1C=NN=N1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020178367	1	41	-1.0	-43.69	348.96	6.48	-37.21
CN1C2=C(CCCC1=O)OC=C2C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020178368	0	41	-1.0	-41.65	336.40	4.97	-36.68
CN1C2=C(CCCC1=O)OC=C2C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020178368	1	41	-1.0	-41.66	336.44	4.97	-36.69
CC(C1=CC=C(F)C=C1)N1CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CC1=O	REAL300020178369	0	47	-1.0	-43.72	386.69	8.09	-35.63
CC(C1=CC=C(F)C=C1)N1CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CC1=O	REAL300020178369	1	47	-1.0	-43.69	386.74	8.10	-35.59
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=CC=C(Cl)N=C2S1	REAL300020178370	0	32	-1.0	-44.82	312.28	5.43	-39.39
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=CC=C(Cl)N=C2S1	REAL300020178370	1	32	-1.0	-44.87	312.24	5.43	-39.44
O=C(CC1=C2NC=CC=C2N=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020178371	0	36	-1.0	-50.43	311.48	4.32	-46.11
O=C(CC1=C2NC=CC=C2N=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020178371	1	36	-1.0	-50.42	311.52	4.32	-46.10
COC1=C2NC=C(CC(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C2=CC=C1	REAL300020178372	0	41	-1.0	-44.48	346.54	5.47	-39.01
COC1=C2NC=C(CC(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C2=CC=C1	REAL300020178372	1	41	-1.0	-44.51	346.58	5.47	-39.04
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=C(Cl)C=C(F)C=C2N1	REAL300020178373	0	34	-1.0	-36.25	318.21	5.97	-30.28
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=C(Cl)C=C(F)C=C2N1	REAL300020178373	1	34	-1.0	-36.26	318.25	5.97	-30.29
COC(=O)C1=CC=C(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(C)=C1	REAL300020178374	0	42	-1.0	-41.44	356.62	7.26	-34.18
COC(=O)C1=CC=C(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(C)=C1	REAL300020178374	1	42	-1.0	-41.40	356.66	7.27	-34.13
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=C(COCC2)N=C1Cl	REAL300020178375	0	37	-1.0	-39.07	323.15	4.18	-34.89
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=C(COCC2)N=C1Cl	REAL300020178375	1	37	-1.0	-39.03	323.19	4.18	-34.85
CC1=C(Br)C(=O)C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CN1C	REAL300020178376	0	36	-1.0	-64.53	319.95	5.93	-58.60
CC1=C(Br)C(=O)C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CN1C	REAL300020178376	1	36	-1.0	-64.51	320.02	5.93	-58.58
CS(C)(=O)=NC1=CC=NC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020178377	0	39	-1.0	-62.13	338.55	2.07	-60.06
CS(C)(=O)=NC1=CC=NC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020178377	1	39	-1.0	-62.12	338.59	2.08	-60.04
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)NC2=CC=C(C3=CC=CC=C3)C=C21	REAL300020178378	0	47	-1.0	-41.02	386.98	9.51	-31.51
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)NC2=CC=C(C3=CC=CC=C3)C=C21	REAL300020178378	1	47	-1.0	-41.00	387.02	9.51	-31.49
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)NC2=C1CCCC2	REAL300020178379	0	41	-1.0	-40.62	329.86	6.35	-34.27
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)NC2=C1CCCC2	REAL300020178379	1	41	-1.0	-40.64	329.90	6.35	-34.29
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(CC2CCC2)=CN1	REAL300020178380	0	41	-1.0	-39.52	340.14	6.81	-32.71
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(CC2CCC2)=CN1	REAL300020178380	1	41	-1.0	-39.47	340.18	6.81	-32.66
COC(=O)C1=CSC(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020178381	0	36	-1.0	-41.36	331.56	5.92	-35.44
COC(=O)C1=CSC(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020178381	1	36	-1.0	-41.30	331.60	5.93	-35.37
COC(=O)C1=CC=C(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1F	REAL300020178382	0	39	-1.0	-43.94	344.47	6.82	-37.12
COC(=O)C1=CC=C(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1F	REAL300020178382	1	39	-1.0	-43.93	344.51	6.83	-37.10
CCCCN1C=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)N=N1	REAL300020178383	0	38	-1.0	-48.60	327.18	4.20	-44.40
CCCCN1C=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)N=N1	REAL300020178383	1	38	-1.0	-48.65	327.13	4.20	-44.45
C[C@H]1C(=O)N(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(=O)[C@H]1C	REAL300020178384	0	39	-1.0	-48.04	327.41	4.24	-43.80
C[C@H]1C(=O)N(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(=O)[C@H]1C	REAL300020178384	1	39	-1.0	-48.05	327.46	4.24	-43.81
C[C@@H](C1=CC=C(F)C=C1)N1CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CC1=O	REAL300020178385	0	47	-1.0	-42.53	388.36	7.90	-34.63
C[C@@H](C1=CC=C(F)C=C1)N1CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CC1=O	REAL300020178385	1	47	-1.0	-42.63	388.41	7.90	-34.73
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CCC2(CNC(=O)C2)CC1	REAL300020178386	0	44	-1.0	-44.01	342.65	3.55	-40.46
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CCC2(CNC(=O)C2)CC1	REAL300020178386	1	44	-1.0	-46.95	343.67	3.58	-43.37
COC(=O)[C@@H]1[C@H](C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1(C)C	REAL300020178387	0	39	-1.0	-40.27	322.76	5.67	-34.60
COC(=O)[C@@H]1[C@H](C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1(C)C	REAL300020178387	1	39	-1.0	-40.33	322.88	5.68	-34.65
COC(=O)C1=C2CCCCC2=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)S1	REAL300020178388	0	43	-1.0	-40.76	365.39	7.64	-33.12
COC(=O)C1=C2CCCCC2=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)S1	REAL300020178388	1	43	-1.0	-40.71	365.43	7.65	-33.06
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CC(C2CCOCC2)=NO1	REAL300020178389	0	42	-1.0	-42.39	344.15	4.62	-37.77
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CC(C2CCOCC2)=NO1	REAL300020178389	1	42	-1.0	-42.42	344.19	4.62	-37.80
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CC(CC2=CC=CC=C2)=NO1	REAL300020178390	0	41	-1.0	-44.50	352.08	7.57	-36.93
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CC(CC2=CC=CC=C2)=NO1	REAL300020178390	1	41	-1.0	-44.46	352.13	7.57	-36.89
CC1=NOC2(CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C2)C1	REAL300020178391	0	38	-1.0	-45.49	317.49	4.64	-40.85
CC1=NOC2(CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C2)C1	REAL300020178391	1	38	-1.0	-45.46	317.54	4.64	-40.82
CC(C)CC1=CC=C2C(N)=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)SC2=N1	REAL300020178392	0	46	-1.0	-50.25	387.24	5.90	-44.35
CC(C)CC1=CC=C2C(N)=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)SC2=N1	REAL300020178392	1	46	-1.0	-50.21	387.29	5.92	-44.29
CCCC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=NN1C	REAL300020178393	0	39	-1.0	-47.20	328.99	5.24	-41.96
CCCC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=NN1C	REAL300020178393	1	39	-1.0	-47.09	329.03	5.24	-41.85
CCCC1=NN(C)C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020178394	0	39	-1.0	-38.88	325.55	5.31	-33.57
CCCC1=NN(C)C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020178394	1	39	-1.0	-38.87	325.60	5.31	-33.56
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CC1	REAL300020178395	0	45	0.0	-49.27	332.77	6.54	-42.73
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CC1	REAL300020178395	1	45	0.0	-49.34	332.82	6.56	-42.78
C[C@H](C1=CC=C(F)C=C1)N1CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CC1=O	REAL300020178396	0	47	-1.0	-42.03	388.90	7.97	-34.06
C[C@H](C1=CC=C(F)C=C1)N1CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CC1=O	REAL300020178396	1	47	-1.0	-42.06	388.95	7.98	-34.08
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=C2CCCCC2=NNC1=O	REAL300020178397	0	39	-1.0	-51.80	312.54	3.61	-48.19
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=C2CCCCC2=NNC1=O	REAL300020178397	1	39	-1.0	-51.74	312.60	3.61	-48.13
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(N2CCCNS2(=O)=O)C=C1	REAL300020178398	0	44	-1.0	-47.27	367.39	2.48	-44.79
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(N2CCCNS2(=O)=O)C=C1	REAL300020178398	1	44	-1.0	-47.20	367.44	2.48	-44.72
CC(C)CC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=NO1	REAL300020178399	0	38	-1.0	-44.54	322.49	5.63	-38.91
CC(C)CC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=NO1	REAL300020178399	1	38	-1.0	-44.47	322.53	5.63	-38.84
CC1=C(C2CC2)ON=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020178400	0	36	-1.0	-45.97	311.41	5.78	-40.19
CC1=C(C2CC2)ON=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020178400	1	36	-1.0	-45.92	311.45	5.79	-40.13
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN=C(C2CCOCC2)S1	REAL300020178401	0	40	-1.0	-42.32	344.68	4.22	-38.10
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN=C(C2CCOCC2)S1	REAL300020178401	1	40	-1.0	-42.25	344.72	4.22	-38.03
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C12CC(C(F)(F)F)(C1)CO2	REAL300020178402	0	35	-1.0	-39.22	310.73	4.07	-35.15
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C12CC(C(F)(F)F)(C1)CO2	REAL300020178402	1	35	-1.0	-39.23	310.77	4.07	-35.16
CC(NC1=CC=C(C(F)(F)F)C=N1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020178403	0	40	-1.0	-37.03	350.51	5.21	-31.82
CC(NC1=CC=C(C(F)(F)F)C=N1)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020178403	1	40	-1.0	-37.01	350.47	5.21	-31.80
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN=C2COCCC2=C1	REAL300020178404	0	37	-1.0	-41.51	309.46	3.71	-37.80
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN=C2COCCC2=C1	REAL300020178404	1	37	-1.0	-41.50	309.51	3.72	-37.78
CCC1=CC([N+](=O)[O-])=CC=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020178405	0	38	-1.0	-36.92	324.35	7.56	-29.36
CCC1=CC([N+](=O)[O-])=CC=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020178405	1	38	-1.0	-36.82	323.53	7.54	-29.28
CC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=NN1CC(F)(F)F	REAL300020178406	0	36	-1.0	-47.78	324.06	4.93	-42.85
CC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=NN1CC(F)(F)F	REAL300020178406	1	36	-1.0	-47.77	324.11	4.94	-42.83
CN1C=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C2=CC=CC(Cl)=C21	REAL300020178407	0	37	-1.0	-41.22	326.33	7.46	-33.76
CN1C=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C2=CC=CC(Cl)=C21	REAL300020178407	1	37	-1.0	-41.23	327.35	7.48	-33.75
CC1=C(C2=CC=CC=C2)ON=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020178408	0	39	-1.0	-45.40	338.19	7.18	-38.22
CC1=C(C2=CC=CC=C2)ON=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020178408	1	39	-1.0	-45.43	338.17	7.17	-38.26
O=C(C=CC1=C(Br)C=CS1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020178409	0	31	-1.0	-39.84	305.13	6.30	-33.54
O=C(C=CC1=C(Br)C=CS1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020178409	1	31	-1.0	-39.84	305.18	6.30	-33.54
O=C(C=CC1=C(Br)SC=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020178410	0	31	-1.0	-39.70	305.07	6.27	-33.43
O=C(C=CC1=C(Br)SC=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020178410	1	31	-1.0	-39.69	305.11	6.27	-33.42
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C(F)C1CCOCC1	REAL300020178411	0	37	-1.0	-37.67	305.24	3.95	-33.72
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C(F)C1CCOCC1	REAL300020178411	1	37	-1.0	-37.65	305.29	3.97	-33.68
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN=CC(N2C=CC=N2)=N1	REAL300020178412	0	35	-1.0	-41.62	313.34	4.13	-37.49
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN=CC(N2C=CC=N2)=N1	REAL300020178412	1	35	-1.0	-41.60	313.30	4.11	-37.49
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(F)=CC2=CN=CC=C21	REAL300020178413	0	35	-1.0	-42.12	304.92	6.02	-36.10
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(F)=CC2=CN=CC=C21	REAL300020178413	1	35	-1.0	-42.05	304.88	6.01	-36.04
CN1N=NC=C1C1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020178414	0	39	-1.0	-43.60	330.93	5.25	-38.35
CN1N=NC=C1C1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020178414	1	39	-1.0	-43.59	330.98	5.25	-38.34
O=C(C#CC1=CC=C(F)C(F)=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020178415	0	32	-1.0	-40.22	304.97	6.93	-33.29
O=C(C#CC1=CC=C(F)C(F)=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020178415	1	32	-1.0	-39.87	305.01	6.94	-32.93
CC(C)(C)OC(=O)N1CC=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020178416	0	48	-1.0	-43.67	381.75	6.29	-37.38
CC(C)(C)OC(=O)N1CC=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020178416	1	48	-1.0	-43.62	381.80	6.29	-37.33
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NOC(COC2=CC=C(F)C=C2F)=C1	REAL300020178417	0	40	-1.0	-48.67	363.65	6.29	-42.38
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NOC(COC2=CC=C(F)C=C2F)=C1	REAL300020178417	1	40	-1.0	-48.66	363.69	6.29	-42.37
NC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=NN1C1=CC=C(F)C=C1	REAL300020178418	0	39	-1.0	-41.98	338.11	5.81	-36.17
NC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=NN1C1=CC=C(F)C=C1	REAL300020178418	1	39	-1.0	-41.94	338.07	5.81	-36.13
CC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC2=NNN=C21	REAL300020178419	0	35	-1.0	-42.08	301.76	3.38	-38.70
CC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC2=NNN=C21	REAL300020178419	1	35	-1.0	-42.05	301.80	3.39	-38.66
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC(N2C=CC=C2)=N1	REAL300020178420	0	37	-1.0	-51.02	320.94	7.59	-43.43
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC(N2C=CC=C2)=N1	REAL300020178420	1	37	-1.0	-51.03	320.90	7.60	-43.43
O=C(CCC1=CC=C2OC=NC2=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020178421	0	38	-1.0	-43.19	328.25	3.84	-39.35
O=C(CCC1=CC=C2OC=NC2=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020178421	1	38	-1.0	-43.17	328.29	3.84	-39.33
CC1(C)NC(=O)CC1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020178422	0	37	-1.0	-37.35	303.43	1.94	-35.41
CC1(C)NC(=O)CC1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020178422	1	37	-1.0	-37.39	303.47	1.93	-35.46
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=C(CCSC2)N=C1Cl	REAL300020178423	0	37	-1.0	-38.12	332.74	6.36	-31.76
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=C(CCSC2)N=C1Cl	REAL300020178423	1	37	-1.0	-38.11	332.78	6.36	-31.75
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(Cl)=CC2=C1NCCC2	REAL300020178424	0	39	-1.0	-42.00	332.75	6.44	-35.56
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(Cl)=CC2=C1NCCC2	REAL300020178424	1	39	-1.0	-41.95	332.80	6.44	-35.51
NC1=NC(C2=COC=C2)=NC=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020178425	0	37	-1.0	-41.67	323.53	3.64	-38.03
NC1=NC(C2=COC=C2)=NC=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020178425	1	37	-1.0	-41.66	323.48	3.63	-38.03
CC1=C(C(N)=O)C=CC=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020178426	0	37	-1.0	-45.48	305.20	2.93	-42.55
CC1=C(C(N)=O)C=CC=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020178426	1	37	-1.0	-45.51	305.25	2.94	-42.57
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CCCOC1=CC=CN=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020183439	0	42	-1.0	-48.83	335.25	5.80	-43.03
CCCOC1=CC=CN=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020183439	1	42	-1.0	-48.81	335.19	5.78	-43.03
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COCCOC1=CC=C(CC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020183440	1	47	-1.0	-46.18	379.71	4.96	-41.22
CC(C)CN1N=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1C1=CC=CC=C1	REAL300020183441	0	52	-1.0	-46.01	409.15	7.84	-38.17
CC(C)CN1N=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1C1=CC=CC=C1	REAL300020183441	1	52	-1.0	-46.04	409.09	7.82	-38.22
CCCOC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C(OC(C)C)=C1	REAL300020183442	0	53	-1.0	-43.75	407.41	7.26	-36.49
CCCOC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C(OC(C)C)=C1	REAL300020183442	1	53	-1.0	-43.76	407.46	7.28	-36.48
CCCOC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C(OC2CCCC2)=C1	REAL300020183443	0	57	-1.0	-47.14	437.04	7.93	-39.21
CCCOC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C(OC2CCCC2)=C1	REAL300020183443	1	57	-1.0	-47.13	437.10	7.94	-39.19
CC(=O)NCC1CCN2N=CC(C(=O)N3CCC(C4=N[N-]N=N4)CC3)=C2C1	REAL300020183444	0	50	-1.0	-51.97	393.87	2.94	-49.03
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C[NH+](C)C(CC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=CC=C1	REAL300020183446	0	48	0.0	-68.23	360.34	7.21	-61.02
C[NH+](C)C(CC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=CC=C1	REAL300020183446	1	48	0.0	-68.22	360.40	7.23	-60.99
O=C(C(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=C(Cl)S1	REAL300020183447	0	32	-1.0	-38.74	296.84	4.17	-34.57
O=C(C(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=C(Cl)S1	REAL300020183447	1	32	-1.0	-38.75	296.90	4.19	-34.56
COC(C)(C(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=CC=C1F	REAL300020183448	0	43	-1.0	-44.65	327.89	4.83	-39.82
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CC1=CC=C(C2=NNC(C(=O)N3CCC(C4=N[N-]N=N4)CC3)=C2)C=C1C	REAL300020183485	0	46	-1.0	-43.56	366.77	6.07	-37.49
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COC1C2CC3CC1CC(C(=O)N1CCC(C4=N[N-]N=N4)CC1)(C3)C2	REAL300020183486	0	51	-1.0	-41.12	356.75	5.26	-35.86
COC1C2CC3CC1CC(C(=O)N1CCC(C4=NN=N[N-]4)CC1)(C3)C2	REAL300020183486	1	51	-1.0	-41.14	356.81	5.28	-35.86
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CC1=C(C)C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C(C2=CC=CC=C2)O1	REAL300020183488	0	46	-1.0	-44.66	373.73	7.80	-36.86
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CCCC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1Cl	REAL300020183489	0	42	-1.0	-41.38	347.44	7.02	-34.36
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CCCCCC(C)(CC)C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020183491	0	50	-1.0	-41.91	359.38	6.44	-35.47
CCCCCC(C)(CC)C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020183491	1	50	-1.0	-41.93	359.43	6.45	-35.48
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COC1=CC=C(SCCCC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020183497	0	47	-1.0	-45.92	385.87	6.78	-39.14
COC1=CC=C(SCCCC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020183497	1	47	-1.0	-45.91	385.93	6.80	-39.11
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CN(CC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1CCS(=O)(=O)C1	REAL300020183498	1	44	-1.0	-51.14	348.32	-0.55	-51.69
COC1=CC=CC(CC(O)C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020183499	0	44	-1.0	-43.42	350.29	3.18	-40.24
COC1=CC=CC(CC(O)C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020183499	1	44	-1.0	-43.48	350.34	3.20	-40.28
O=C(CC1=CC(C(F)(F)F)=CC(Cl)=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020183500	0	38	-1.0	-47.48	344.09	5.26	-42.22
O=C(CC1=CC(C(F)(F)F)=CC(Cl)=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020183500	1	38	-1.0	-47.47	344.14	5.27	-42.20
CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020183501	0	47	-1.0	-51.84	364.17	4.69	-47.15
CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020183501	1	47	-1.0	-51.81	364.23	4.70	-47.11
CC1C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)CCN1C(=O)OC(C)(C)C	REAL300020183502	0	53	-1.0	-47.99	391.24	5.08	-42.91
CC1C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)CCN1C(=O)OC(C)(C)C	REAL300020183502	1	53	-1.0	-48.04	391.30	5.09	-42.95
O=C(CC1=CC=C(Br)C(Cl)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020183503	0	36	-1.0	-44.21	330.82	6.53	-37.68
O=C(CC1=CC=C(Br)C(Cl)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020183503	1	36	-1.0	-44.24	330.88	6.55	-37.69
NC(=O)C1CCCC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020183504	0	43	-1.0	-46.47	321.40	1.26	-45.21
NC(=O)C1CCCC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020183504	1	43	-1.0	-46.47	321.46	1.28	-45.19
CC1=CN(C2=C(F)C=CC=C2F)N=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020183505	0	43	-1.0	-48.30	353.83	6.98	-41.32
CC1=CN(C2=C(F)C=CC=C2F)N=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020183505	1	43	-1.0	-48.28	353.77	6.96	-41.32
O=C(CCCC1=CC=C(O)C(F)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020183506	0	43	-1.0	-46.85	354.81	4.25	-42.60
O=C(CCCC1=CC=C(O)C(F)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020183506	1	43	-1.0	-46.85	354.87	4.26	-42.59
CC1=CC=C(Br)N=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020183507	0	35	-1.0	-42.19	311.01	3.77	-38.42
CC1=CC=C(Br)N=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020183507	1	35	-1.0	-42.18	310.95	3.76	-38.42
COC(=O)C1=CC(O)=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020183508	0	40	-1.0	-44.51	336.35	2.25	-42.26
COC(=O)C1=CC(O)=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020183508	1	40	-1.0	-44.61	336.41	2.27	-42.34
O=C(C1=NOC2=C1CCCCC2)N1CCC(C2=N[N-]N=N2)CC1	REAL300020183509	0	42	-1.0	-42.95	320.60	5.45	-37.50
O=C(C1=NOC2=C1CCCCC2)N1CCC(C2=NN=N[N-]2)CC1	REAL300020183509	1	42	-1.0	-42.96	320.66	5.47	-37.49
CC(=O)[C@@H]1C[C@H](C(=O)N2CCC(C3=N[N-]N=N3)CC2)C1(C)C	REAL300020183510	0	44	-1.0	-44.78	324.93	6.48	-38.30
CC(=O)[C@@H]1C[C@H](C(=O)N2CCC(C3=NN=N[N-]3)CC2)C1(C)C	REAL300020183510	1	44	-1.0	-44.78	324.98	6.50	-38.28
COC1=CC(C)=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020183511	0	40	-1.0	-47.05	320.96	4.65	-42.40
COC1=CC(C)=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020183511	1	40	-1.0	-47.05	321.01	4.66	-42.39
O=C(C1=CC(Cl)=NC=C1Cl)N1CCC(C2=NN=N[N-]2)CC1	REAL300020183512	0	32	-1.0	-40.90	297.35	3.58	-37.32
O=C(C1=CC(Cl)=NC=C1Cl)N1CCC(C2=N[N-]N=N2)CC1	REAL300020183512	1	32	-1.0	-40.83	297.29	3.57	-37.26
O=C(C1=NNN=C1C1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020183513	0	39	-1.0	-42.84	318.25	3.57	-39.27
O=C(C1=NNN=C1C1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020183513	1	39	-1.0	-42.83	318.31	3.59	-39.24
CN1N=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1N1C=NN=C1	REAL300020183514	0	39	-1.0	-47.28	326.81	5.94	-41.34
CN1N=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1N1C=NN=C1	REAL300020183514	1	39	-1.0	-47.28	326.75	5.93	-41.35
O=C(N1CCC(C2=N[N-]N=N2)CC1)C1(CC2=CC=CC=C2F)CC1	REAL300020183515	0	43	-1.0	-44.29	335.47	6.68	-37.61
O=C(N1CCC(C2=NN=N[N-]2)CC1)C1(CC2=CC=CC=C2F)CC1	REAL300020183515	1	43	-1.0	-44.29	335.54	6.69	-37.60
COC1=CC=C(F)C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1OC	REAL300020183516	0	41	-1.0	-48.17	337.11	3.81	-44.36
COC1=CC=C(F)C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1OC	REAL300020183516	1	41	-1.0	-48.20	337.16	3.83	-44.37
CC1=CC=CC=C1C1(C(=O)N2CCC(C3=N[N-]N=N3)CC2)CCC1	REAL300020183517	0	46	-1.0	-42.20	341.01	6.95	-35.25
CC1=CC=CC=C1C1(C(=O)N2CCC(C3=NN=N[N-]3)CC2)CCC1	REAL300020183517	1	46	-1.0	-42.20	341.07	6.96	-35.24
COC1=CC=C(OC)C(C2CC2C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020183518	0	48	-1.0	-46.11	371.70	5.31	-40.80
COC1=CC=C(OC)C(C2CC2C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020183518	1	48	-1.0	-46.13	371.75	5.33	-40.80
COC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=CN=C1Br	REAL300020183519	0	36	-1.0	-43.26	315.01	2.53	-40.73
COC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=CN=C1Br	REAL300020183519	1	36	-1.0	-43.23	314.95	2.52	-40.71
COCCOC1=CC(OC)=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020183520	0	48	-1.0	-51.14	385.49	3.66	-47.48
COCCOC1=CC(OC)=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020183520	1	48	-1.0	-51.13	385.54	3.68	-47.45
COC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C(OCC2CC2)=C1	REAL300020183521	0	48	-1.0	-48.46	383.51	5.89	-42.57
COC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C(OCC2CC2)=C1	REAL300020183521	1	48	-1.0	-48.48	383.57	5.91	-42.57
CC(C)(C(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=CC(Cl)=C1F	REAL300020183522	0	42	-1.0	-50.19	338.27	6.24	-43.95
CC(C)(C(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=CC(Cl)=C1F	REAL300020183522	1	42	-1.0	-50.19	338.33	6.26	-43.93
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COCCN1N=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020183523	1	40	-1.0	-43.89	322.71	2.10	-41.79
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CC(C)(CC(=O)N1CCC(C2=N[N-]N=N2)CC1)CC1=CC=C(Cl)C=C1	REAL300020183525	0	48	-1.0	-42.49	377.15	8.27	-34.22
CC(C)(CC(=O)N1CCC(C2=NN=N[N-]2)CC1)CC1=CC=C(Cl)C=C1	REAL300020183525	1	48	-1.0	-42.52	377.21	8.29	-34.23
O=C(C1=CC=C(Cl)C=C1C(F)(F)F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020183526	0	36	-1.0	-45.57	317.46	5.87	-39.70
O=C(C1=CC=C(Cl)C=C1C(F)(F)F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020183526	1	36	-1.0	-45.57	317.51	5.88	-39.69
COC(=O)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C(F)=C1	REAL300020183527	0	39	-1.0	-48.48	331.32	5.15	-43.33
COC(=O)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C(F)=C1	REAL300020183527	1	39	-1.0	-48.50	331.37	5.17	-43.33
CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020183528	0	51	-1.0	-47.02	388.16	4.26	-42.76
CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020183528	1	51	-1.0	-47.03	388.21	4.28	-42.75
CC1=NOC(COC2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)CC3)C=N2)=N1	REAL300020185610	0	44	-1.0	-45.34	370.91	0.76	-44.58
CC1=NOC(COC2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)CC3)C=N2)=N1	REAL300020185610	1	44	-1.0	-45.35	370.85	0.75	-44.60
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O=C(C1=CN2CCOCC2=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185614	1	38	-1.0	-46.40	305.39	3.13	-43.27
CC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C(C)N1C1CCCOC1	REAL300020185615	0	51	-1.0	-44.83	380.25	5.76	-39.07
CC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C(C)N1C1CCCOC1	REAL300020185615	1	51	-1.0	-44.83	380.31	5.78	-39.05
CC1=C2C=C(C(=O)N3CCC(C4=N[N-]N=N4)CC3)NC2=C(F)C=C1	REAL300020185616	0	40	-1.0	-42.71	328.01	5.60	-37.11
CC1=C2C=C(C(=O)N3CCC(C4=NN=N[N-]4)CC3)NC2=C(F)C=C1	REAL300020185616	1	40	-1.0	-42.73	328.06	5.61	-37.12
O=C(C1=NC(C2CC2)=CS1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185617	0	36	-1.0	-45.88	306.18	3.53	-42.35
O=C(C1=NC(C2CC2)=CS1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185617	1	36	-1.0	-45.88	306.24	3.55	-42.33
CC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C(C)N1CC1CCCOC1	REAL300020185618	0	54	-1.0	-48.10	403.54	6.54	-41.56
CC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C(C)N1CC1CCCOC1	REAL300020185618	1	54	-1.0	-48.08	403.60	6.56	-41.52
CC1=NOC(C2(C(=O)N3CCC(C4=N[N-]N=N4)CC3)CCOCC2)=C1	REAL300020185619	0	46	-1.0	-41.03	348.45	3.51	-37.52
CC1=NOC(C2(C(=O)N3CCC(C4=NN=N[N-]4)CC3)CCOCC2)=C1	REAL300020185619	1	46	-1.0	-41.02	348.50	3.52	-37.50
CCN1C(=O)CO[C@H](C(=O)N2CCC(C3=N[N-]N=N3)CC2)[C@H]1C1=NC=CN1C	REAL300020185620	0	51	-1.0	-39.71	383.39	3.50	-36.21
CCN1C(=O)CO[C@H](C(=O)N2CCC(C3=NN=N[N-]3)CC2)[C@H]1C1=NC=CN1C	REAL300020185620	1	51	-1.0	-39.71	383.45	3.52	-36.19
CC1=CC(C)=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C(C)=C1Br	REAL300020185621	0	42	-1.0	-40.51	349.48	6.76	-33.75
CC1=CC(C)=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C(C)=C1Br	REAL300020185621	1	42	-1.0	-40.53	349.54	6.77	-33.76
O=C(C1=CC=CC=C1COCC1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185622	0	50	-1.0	-44.76	403.59	8.39	-36.37
O=C(C1=CC=CC=C1COCC1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185622	1	50	-1.0	-44.76	403.65	8.41	-36.35
O=C(C1=CC=CC(F)=C1OC(F)(F)F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185623	0	37	-1.0	-50.24	322.73	5.25	-44.99
O=C(C1=CC=CC(F)=C1OC(F)(F)F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185623	1	37	-1.0	-50.30	322.79	5.26	-45.04
O=C(C1=C(C2CC2)NC(C2CC2)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185624	0	45	-1.0	-44.58	357.23	6.69	-37.89
O=C(C1=C(C2CC2)NC(C2CC2)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185624	1	45	-1.0	-44.63	357.28	6.71	-37.92
CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185625	0	51	-1.0	-45.68	388.91	3.18	-42.50
CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185625	1	51	-1.0	-45.74	389.03	3.19	-42.55
O=C(C=CC1=CC(C(F)(F)F)=CC=C1Cl)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185626	0	40	-1.0	-43.46	356.45	7.37	-36.09
O=C(C=CC1=CC(C(F)(F)F)=CC=C1Cl)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185626	1	40	-1.0	-43.47	356.51	7.39	-36.08
O=C(C1C[N@H+](CC2=CC=CC=C2)CC12CCC2)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185627	0	56	0.0	-63.86	415.38	9.34	-54.52
O=C(C1C[N@@H+](CC2=CC=CC=C2)CC12CCC2)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185627	1	56	0.0	-65.28	414.44	9.60	-55.68
O=C(C1C[N@H+](CC2=CC=CC=C2)CC12CCC2)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185627	1	56	0.0	-63.88	415.43	9.36	-54.52
O=C(C1C[N@@H+](CC2=CC=CC=C2)CC12CCC2)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185627	1	56	0.0	-65.28	414.50	9.62	-55.66
CC(C)(C)OC1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020185628	0	45	-1.0	-42.26	334.23	4.75	-37.51
CC(C)(C)OC1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020185628	1	45	-1.0	-42.29	334.18	4.74	-37.55
CC(C)(C)OC(=O)C1(C(=O)N2CCC(C3=N[N-]N=N3)CC2)CCSCC1	REAL300020185629	0	52	-1.0	-39.38	380.90	6.31	-33.07
CC(C)(C)OC(=O)C1(C(=O)N2CCC(C3=NN=N[N-]3)CC2)CCSCC1	REAL300020185629	1	52	-1.0	-39.43	380.94	6.33	-33.10
COC1=CC=CC(C2=NOC(C(=O)N3CCC(C4=NN=N[N-]4)CC3)=C2)=C1	REAL300020185630	0	43	-1.0	-44.43	355.25	4.85	-39.58
COC1=CC=CC(C2=NOC(C(=O)N3CCC(C4=N[N-]N=N4)CC3)=C2)=C1	REAL300020185630	1	43	-1.0	-44.41	355.19	4.83	-39.58
O=C(CC1=CC2=CC=NC=C2C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185631	0	41	-1.0	-46.52	335.70	5.94	-40.58
O=C(CC1=CC2=CC=NC=C2C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185631	1	41	-1.0	-46.53	335.76	5.96	-40.57
N#CC1=CC=C(C2(C(=O)N3CCC(C4=N[N-]N=N4)CC3)CCCC2)C=C1	REAL300020185632	0	47	-1.0	-43.66	360.52	7.78	-35.88
N#CC1=CC=C(C2(C(=O)N3CCC(C4=NN=N[N-]4)CC3)CCCC2)C=C1	REAL300020185632	1	47	-1.0	-43.64	360.57	7.81	-35.83
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CC1=CC(CC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C(C)N1C1=CC(C)=CC(C)=C1	REAL300020185696	1	56	-1.0	-47.06	445.11	10.83	-36.23
CN1C(=O)CN(CC(=O)N2CCC(C3=N[N-]N=N3)CC2)C1=O	REAL300020185697	0	38	-1.0	-53.11	317.36	2.36	-50.75
CN1C(=O)CN(CC(=O)N2CCC(C3=NN=N[N-]3)CC2)C1=O	REAL300020185697	1	38	-1.0	-53.16	317.42	2.38	-50.78
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CC(C)(C)OC(=O)N1CCOC(C)(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020185699	1	54	-1.0	-47.50	401.19	4.45	-43.05
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CC(C)C(C)(CC1=CC=CC=C1)C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185701	0	51	-1.0	-42.65	361.43	7.39	-35.26
CC(C)C(C)(CC1=CC=CC=C1)C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185701	1	51	-1.0	-42.66	361.48	7.40	-35.26
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C[C@@H]1C[C@@]1(C(=O)OC(C)(C)C)C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185702	1	48	-1.0	-40.49	367.77	6.28	-34.21
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CCC1=C(CC(=O)N2CCC(C3=N[N-]N=N3)CC2)C2=CC=CC=C2O1	REAL300020185706	0	45	-1.0	-46.04	361.30	7.31	-38.73
CCC1=C(CC(=O)N2CCC(C3=NN=N[N-]3)CC2)C2=CC=CC=C2O1	REAL300020185706	1	45	-1.0	-46.03	361.36	7.33	-38.70
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CC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C(C)N1C1=CN=CC=N1	REAL300020185708	0	45	-1.0	-48.46	359.22	5.48	-42.98
CC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C(C)N1C1=CN=CC=N1	REAL300020185708	1	45	-1.0	-48.44	359.17	5.46	-42.98
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C=C(Cl)CC(NC(=O)OC(C)(C)C)C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185710	0	50	-1.0	-42.17	398.35	3.73	-38.44
C=C(Cl)CC(NC(=O)OC(C)(C)C)C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185710	1	50	-1.0	-42.18	398.40	3.75	-38.43
CC1=CN(C2CCOCC2)N=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185711	0	47	-1.0	-44.90	363.89	4.36	-40.54
CC1=CN(C2CCOCC2)N=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185711	1	47	-1.0	-44.86	363.83	4.35	-40.51
COC1=CC=C(Cl)C(C2=NOC(C(=O)N3CCC(C4=NN=N[N-]4)CC3)=C2)=C1	REAL300020185712	0	43	-1.0	-43.68	367.62	5.51	-38.17
COC1=CC=C(Cl)C(C2=NOC(C(=O)N3CCC(C4=N[N-]N=N4)CC3)=C2)=C1	REAL300020185712	1	43	-1.0	-43.63	367.56	5.49	-38.14
CCN1C(=O)CO[C@H](C(=O)N2CCC(C3=N[N-]N=N3)CC2)[C@H]1C1=CC=NN1C	REAL300020185713	0	51	-1.0	-43.32	383.60	3.59	-39.73
CCN1C(=O)CO[C@H](C(=O)N2CCC(C3=NN=N[N-]3)CC2)[C@H]1C1=CC=NN1C	REAL300020185713	1	51	-1.0	-43.33	383.66	3.61	-39.72
O=C(C1=CC=NC(Cl)=C1Cl)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185714	0	32	-1.0	-45.30	295.81	3.54	-41.76
O=C(C1=CC=NC(Cl)=C1Cl)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185714	1	32	-1.0	-45.31	295.75	3.52	-41.79
O=C(CC(O)C(Cl)(Cl)Cl)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185715	0	33	-1.0	-41.39	309.46	2.59	-38.80
O=C(CC(O)C(Cl)(Cl)Cl)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185715	1	33	-1.0	-41.39	309.52	2.60	-38.79
O=C(C1=CN=C(C2CC2)NC1=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185716	0	39	-1.0	-54.14	325.90	2.95	-51.19
O=C(C1=CN=C(C2CC2)NC1=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185716	1	39	-1.0	-54.09	325.96	2.97	-51.12
O=C(CC1C(=O)N=CNC1=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185717	0	36	-1.0	-53.39	298.14	1.44	-51.95
O=C(CC1C(=O)N=CNC1=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185717	1	36	-1.0	-53.39	298.20	1.45	-51.94
O=C(C1=CC(Cl)=C(F)C([N+](=O)[O-])=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185718	0	35	-1.0	-42.85	319.36	5.62	-37.23
O=C(C1=CC(Cl)=C(F)C([N+](=O)[O-])=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185718	1	35	-1.0	-42.85	319.42	5.63	-37.22
CC(C)(C)OC(=O)N1CCCC(O)(CC(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020185719	0	57	-1.0	-49.09	425.08	4.32	-44.77
CC(C)(C)OC(=O)N1CCCC(O)(CC(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020185719	1	57	-1.0	-49.11	425.14	4.34	-44.77
O=C(C1=CC([N+](=O)[O-])=CC=C1N1C=NN=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185720	0	40	-1.0	-57.19	342.28	5.45	-51.74
O=C(C1=CC([N+](=O)[O-])=CC=C1N1C=NN=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185720	1	40	-1.0	-57.15	342.22	5.44	-51.71
O=C(N1CCC(C2=NN=N[N-]2)CC1)C1(C2=NC=CC3=CC=CC=C32)CC1	REAL300020185721	0	45	-1.0	-42.08	358.15	7.10	-34.98
O=C(N1CCC(C2=N[N-]N=N2)CC1)C1(C2=NC=CC3=CC=CC=C32)CC1	REAL300020185721	1	45	-1.0	-42.03	358.09	7.08	-34.95
CC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1C(F)(F)F	REAL300020185722	0	39	-1.0	-44.50	324.83	5.97	-38.53
CC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1C(F)(F)F	REAL300020185722	1	39	-1.0	-44.48	324.89	5.98	-38.50
O=C(C1=CC(OCC2=CC=CC=C2)=CS1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185723	0	44	-1.0	-44.45	371.55	6.67	-37.78
O=C(C1=CC(OCC2=CC=CC=C2)=CS1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185723	1	44	-1.0	-44.47	371.61	6.68	-37.79
CCOC1=CC=CC(CCC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020185724	0	46	-1.0	-44.32	367.45	6.49	-37.83
CCOC1=CC=CC(CCC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020185724	1	46	-1.0	-44.26	367.51	6.51	-37.75
CCN(C(=O)OC(C)(C)C)C(C)C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185725	0	52	-1.0	-46.40	387.73	5.36	-41.04
CCN(C(=O)OC(C)(C)C)C(C)C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185725	1	52	-1.0	-46.42	387.78	5.38	-41.04
CC1=CN2CCC(C(=O)N3CCC(C4=N[N-]N=N4)CC3)CC2=N1	REAL300020185726	0	43	-1.0	-44.15	335.52	5.32	-38.83
CC1=CN2CCC(C(=O)N3CCC(C4=NN=N[N-]4)CC3)CC2=N1	REAL300020185726	1	43	-1.0	-44.21	335.58	5.34	-38.87
CC1=C(F)C=C(S(N)(=O)=O)C=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185727	0	41	-1.0	-46.37	348.30	0.05	-46.32
CC1=C(F)C=C(S(N)(=O)=O)C=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185727	1	41	-1.0	-46.33	348.35	0.07	-46.26
O=C(CC1=C2CCCCN2N=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185728	0	43	-1.0	-48.21	338.43	4.86	-43.35
O=C(CC1=C2CCCCN2N=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185728	1	43	-1.0	-48.20	338.49	4.87	-43.33
CC1=CN2C=C(CC(=O)N3CCC(C4=N[N-]N=N4)CC3)N=C2S1	REAL300020185729	0	39	-1.0	-55.32	333.15	6.10	-49.22
CC1=CN2C=C(CC(=O)N3CCC(C4=NN=N[N-]4)CC3)N=C2S1	REAL300020185729	1	39	-1.0	-55.33	333.21	6.12	-49.21
C[N@@H+]1CCCC(O)(CC(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020185730	0	46	0.0	-60.42	330.82	3.33	-57.09
C[N@H+]1CCCC(O)(CC(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020185730	1	46	0.0	-63.12	327.97	3.42	-59.70
C[N@@H+]1CCCC(O)(CC(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020185730	1	46	0.0	-60.45	330.88	3.34	-57.11
C[N@H+]1CCCC(O)(CC(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020185730	1	46	0.0	-63.15	328.03	3.44	-59.71
COC1=CC(F)=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C(Cl)=C1	REAL300020185731	0	37	-1.0	-43.59	325.78	4.39	-39.20
COC1=CC(F)=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C(Cl)=C1	REAL300020185731	1	37	-1.0	-43.61	325.83	4.41	-39.20
CC1(C)OC(=O)C2=CC=CC=C2C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185732	0	46	-1.0	-48.47	357.08	6.34	-42.13
CC1(C)OC(=O)C2=CC=CC=C2C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185732	1	46	-1.0	-48.50	357.14	6.36	-42.14
O=C(C1=C(C(F)F)N=C2C=CC=CN21)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185733	0	39	-1.0	-45.35	332.87	5.68	-39.67
O=C(C1=C(C(F)F)N=C2C=CC=CN21)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185733	1	39	-1.0	-45.33	332.93	5.70	-39.63
O=C(C1=CC(C2=CC=CC(Cl)=C2F)=NO1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185734	0	39	-1.0	-45.61	346.66	6.29	-39.32
O=C(C1=CC(C2=CC=CC(Cl)=C2F)=NO1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185734	1	39	-1.0	-45.64	346.60	6.27	-39.37
CC1(C(=O)N2CCC(C3=N[N-]N=N3)CC2)COC2=CC=CC=C2O1	REAL300020185735	0	42	-1.0	-42.30	329.17	5.09	-37.21
CC1(C(=O)N2CCC(C3=NN=N[N-]3)CC2)COC2=CC=CC=C2O1	REAL300020185735	1	42	-1.0	-42.29	329.23	5.11	-37.18
COC(=O)C=CC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020185736	0	43	-1.0	-46.10	357.46	6.35	-39.75
COC(=O)C=CC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020185736	1	43	-1.0	-46.12	357.52	6.36	-39.76
COC1=CN=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1C	REAL300020185737	0	39	-1.0	-42.86	312.39	2.47	-40.39
COC1=CN=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1C	REAL300020185737	1	39	-1.0	-42.92	312.45	2.49	-40.43
O=C(CC1CC2=CC=CC=C2O1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185738	0	41	-1.0	-49.46	329.40	6.09	-43.37
O=C(CC1CC2=CC=CC=C2O1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185738	1	41	-1.0	-49.44	329.46	6.10	-43.34
CSC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1Br	REAL300020185739	0	37	-1.0	-42.45	329.29	5.99	-36.46
CSC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1Br	REAL300020185739	1	37	-1.0	-42.50	329.35	6.01	-36.49
CC(C)CC1(C(=O)N2CCC(C3=N[N-]N=N3)CC2)CCNC1=O	REAL300020185740	0	46	-1.0	-45.06	333.02	1.81	-43.25
CC(C)CC1(C(=O)N2CCC(C3=NN=N[N-]3)CC2)CCNC1=O	REAL300020185740	1	46	-1.0	-45.06	333.08	1.83	-43.23
CC(C)(C)OC(=O)CN1C=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)N=N1	REAL300020185741	0	47	-1.0	-51.26	378.06	4.42	-46.84
CC(C)(C)OC(=O)CN1C=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)N=N1	REAL300020185741	1	47	-1.0	-51.25	378.00	4.40	-46.85
CC(C)(C)OC(=O)C1=CC=CC=C1CC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185742	0	51	-1.0	-44.99	396.92	7.86	-37.13
CC(C)(C)OC(=O)C1=CC=CC=C1CC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185742	1	51	-1.0	-45.00	396.98	7.88	-37.12
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CC1=CC(C)=C(C=CC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1C	REAL300020185745	0	46	-1.0	-42.91	359.40	7.67	-35.24
CC1=CC(C)=C(C=CC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1C	REAL300020185745	1	46	-1.0	-42.89	359.45	7.68	-35.21
CC1(C(=O)N2CCC(C3=N[N-]N=N3)CC2)CCC(F)(F)CC1	REAL300020185746	0	42	-1.0	-41.30	310.46	4.93	-36.37
CC1(C(=O)N2CCC(C3=NN=N[N-]3)CC2)CCC(F)(F)CC1	REAL300020185746	1	42	-1.0	-41.36	310.51	4.93	-36.43
O=C(C=CC1=CSC(C(F)(F)F)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185747	0	37	-1.0	-43.30	334.09	6.07	-37.23
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O=C([C@@H]1CCCC[C@@H]1C(F)(F)F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185748	0	42	-1.0	-41.69	319.93	5.59	-36.10
O=C([C@@H]1CCCC[C@@H]1C(F)(F)F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185748	1	42	-1.0	-41.70	319.99	5.61	-36.09
O=C(CC1=CSC(CCC(F)(F)F)=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185749	0	41	-1.0	-47.65	361.23	5.24	-42.41
O=C(CC1=CSC(CCC(F)(F)F)=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185749	1	41	-1.0	-47.64	361.29	5.26	-42.38
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CC(C(=O)N1CCC(C2=NN=N[N-]2)CC1)N1C=CC(C(F)(F)F)=N1	REAL300020185752	0	39	-1.0	-46.02	333.81	4.11	-41.91
CC(C(=O)N1CCC(C2=N[N-]N=N2)CC1)N1C=CC(C(F)(F)F)=N1	REAL300020185752	1	39	-1.0	-46.01	333.75	4.09	-41.92
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CC(C)(C)OC(=O)N1CCCC(C=CC(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020185756	0	57	-1.0	-47.52	433.47	7.01	-40.51
CC(C)(C)OC(=O)N1CCCC(C=CC(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020185756	1	57	-1.0	-47.54	433.53	7.02	-40.52
COC(=O)C1=COC(C=CC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020185757	0	40	-1.0	-46.44	342.88	4.82	-41.62
COC(=O)C1=COC(C=CC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020185757	1	40	-1.0	-46.40	342.94	4.83	-41.57
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COCCN1C=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=N1	REAL300020185759	0	40	-1.0	-43.80	328.45	2.13	-41.67
COCCN1C=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=N1	REAL300020185759	1	40	-1.0	-43.84	328.39	2.11	-41.73
COCCN1N=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1C	REAL300020185760	0	43	-1.0	-43.38	348.32	2.60	-40.78
COCCN1N=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1C	REAL300020185760	1	43	-1.0	-43.40	348.37	2.62	-40.78
CCN1C(=O)CO[C@H](C(=O)N2CCC(C3=N[N-]N=N3)CC2)[C@H]1C1=CC=CC=C1	REAL300020185761	0	51	-1.0	-41.13	378.08	4.77	-36.36
CCN1C(=O)CO[C@H](C(=O)N2CCC(C3=NN=N[N-]3)CC2)[C@H]1C1=CC=CC=C1	REAL300020185761	1	51	-1.0	-41.16	378.14	4.78	-36.38
CCOC(=O)N[C@H](CC1=CC=CC=C1)C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185762	0	50	-1.0	-47.76	395.64	5.60	-42.16
CCOC(=O)N[C@H](CC1=CC=CC=C1)C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185762	1	50	-1.0	-47.73	395.70	5.61	-42.12
CC1(C)[C@H](C(=O)N2CCC(C3=N[N-]N=N3)CC2)[C@H]1C1=CC=CC=C1	REAL300020185763	0	46	-1.0	-42.36	355.10	7.61	-34.75
CC1(C)[C@H](C(=O)N2CCC(C3=NN=N[N-]3)CC2)[C@H]1C1=CC=CC=C1	REAL300020185763	1	46	-1.0	-42.37	355.15	7.63	-34.74
COC1=CC(C)=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1C	REAL300020185764	0	43	-1.0	-44.93	338.37	5.10	-39.83
COC1=CC(C)=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1C	REAL300020185764	1	43	-1.0	-44.91	338.43	5.12	-39.79
O=C(CCC1=CC=C(F)C2=C1CCCC2)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185765	0	49	-1.0	-41.58	377.58	8.53	-33.05
O=C(CCC1=CC=C(F)C2=C1CCCC2)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185765	1	49	-1.0	-41.60	377.63	8.55	-33.05
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)OC(CNC(=O)OC(C)(C)C)=C1	REAL300020185766	0	53	-1.0	-44.15	417.47	4.01	-40.14
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)OC(CNC(=O)OC(C)(C)C)=C1	REAL300020185766	1	53	-1.0	-44.17	417.53	4.02	-40.15
CC(C)(C)OC(=O)NCC1=NC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=N1	REAL300020185767	0	51	-1.0	-44.32	406.92	1.95	-42.37
CC(C)(C)OC(=O)NCC1=NC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=N1	REAL300020185767	1	51	-1.0	-44.36	406.97	1.96	-42.40
O=C(CC1(C2=CC=CC=C2)CC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185768	0	43	-1.0	-43.75	338.90	7.24	-36.51
O=C(CC1(C2=CC=CC=C2)CC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185768	1	43	-1.0	-43.75	338.96	7.25	-36.50
O=C(CC1=COC2=CC(Cl)=CC=C12)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185769	0	39	-1.0	-45.03	339.24	6.34	-38.69
O=C(CC1=COC2=CC(Cl)=CC=C12)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185769	1	39	-1.0	-45.03	339.30	6.35	-38.68
CCC1=C2C=C(C(=O)N3CCC(C4=N[N-]N=N4)CC3)NC2=CC=C1	REAL300020185770	0	43	-1.0	-43.20	344.65	6.23	-36.97
CCC1=C2C=C(C(=O)N3CCC(C4=NN=N[N-]4)CC3)NC2=CC=C1	REAL300020185770	1	43	-1.0	-43.22	344.70	6.25	-36.97
O=C([C@@H]1OCCO[C@@H]1C(F)(F)F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185771	0	38	-1.0	-43.28	306.32	2.77	-40.51
O=C([C@@H]1OCCO[C@@H]1C(F)(F)F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185771	1	38	-1.0	-43.27	306.38	2.78	-40.49
O=C(CCC1=CC=C(F)C2=CC=CC=C12)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185772	0	45	-1.0	-42.81	364.13	8.42	-34.39
O=C(CCC1=CC=C(F)C2=CC=CC=C12)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185772	1	45	-1.0	-42.83	364.19	8.43	-34.40
CC(C)(C)OC(=O)NCC1(C(=O)N2CCC(C3=N[N-]N=N3)CC2)CCCOC1	REAL300020185773	0	57	-1.0	-44.34	415.97	3.37	-40.97
CC(C)(C)OC(=O)NCC1(C(=O)N2CCC(C3=NN=N[N-]3)CC2)CCCOC1	REAL300020185773	1	57	-1.0	-44.35	416.03	3.38	-40.97
CCOC(=O)C1(CC(=O)N2CCC(C3=N[N-]N=N3)CC2)CCOCC1	REAL300020185774	0	49	-1.0	-48.38	371.55	5.28	-43.10
CCOC(=O)C1(CC(=O)N2CCC(C3=NN=N[N-]3)CC2)CCOCC1	REAL300020185774	1	49	-1.0	-48.37	371.61	5.30	-43.07
O=C(C1=CC(O)=CC(Br)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185775	0	34	-1.0	-42.82	302.81	2.21	-40.61
O=C(C1=CC(O)=CC(Br)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185775	1	34	-1.0	-42.82	302.87	2.23	-40.59
CCC(C(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=C(Br)C=C1	REAL300020185776	0	42	-1.0	-41.12	349.41	7.10	-34.02
CCC(C(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=C(Br)C=C1	REAL300020185776	1	42	-1.0	-41.18	349.46	7.12	-34.06
O=C(C1C2CC3=CC(Cl)=CC=C3C21)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185777	0	41	-1.0	-44.17	337.84	7.71	-36.46
O=C(C1C2CC3=CC(Cl)=CC=C3C21)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185777	1	41	-1.0	-44.20	337.89	7.73	-36.47
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O=C(CCCC1=CC=C2OCCCOC2=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185778	1	51	-1.0	-46.93	400.46	7.00	-39.93
COC1=CC=C(C2=CN=CC(C(=O)N3CCC(C4=NN=N[N-]4)CC3)=C2)C(C)=C1	REAL300020185779	0	49	-1.0	-43.53	390.98	5.97	-37.56
COC1=CC=C(C2=CN=CC(C(=O)N3CCC(C4=N[N-]N=N4)CC3)=C2)C(C)=C1	REAL300020185779	1	49	-1.0	-43.53	390.92	5.96	-37.57
O=C(C1CC2=CC=C(Cl)C=C21)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185780	0	37	-1.0	-43.92	315.17	6.44	-37.48
O=C(C1CC2=CC=C(Cl)C=C21)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185780	1	37	-1.0	-43.92	315.22	6.46	-37.46
O=C(C1=CC=C(C2CCOCC2)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185781	0	47	-1.0	-43.03	363.03	5.83	-37.20
O=C(C1=CC=C(C2CCOCC2)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185781	1	47	-1.0	-43.05	363.08	5.84	-37.21
CN1CC(=O)NC2=CC(C(=O)N3CCC(C4=NN=N[N-]4)CC3)=CN=C21	REAL300020185782	0	42	-1.0	-45.62	338.70	0.94	-44.68
CN1CC(=O)NC2=CC(C(=O)N3CCC(C4=N[N-]N=N4)CC3)=CN=C21	REAL300020185782	1	42	-1.0	-45.64	338.65	0.93	-44.71
CC1=CC(Br)=C(F)C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020185783	0	36	-1.0	-47.24	319.79	5.82	-41.42
CC1=CC(Br)=C(F)C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020185783	1	36	-1.0	-47.28	319.85	5.83	-41.45
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O=C(C1=CC=C(C2=CC=CC(Cl)=C2)NC1=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185784	1	43	-1.0	-49.20	364.42	5.51	-43.69
CN(C1=NC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=CS1)C1=CC=CC=C1	REAL300020185785	0	44	-1.0	-43.08	369.68	7.53	-35.55
CN(C1=NC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=CS1)C1=CC=CC=C1	REAL300020185785	1	44	-1.0	-43.07	369.62	7.51	-35.56
COC1=CC=C(C=CC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1O	REAL300020185786	0	42	-1.0	-45.57	343.67	3.10	-42.47
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CC1=NN(CC(C)C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020185827	0	42	-1.0	-41.87	331.39	4.59	-37.28
CC1=NN(CC(C)C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020185827	1	42	-1.0	-41.89	331.45	4.61	-37.28
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CC(CC(=O)C1=CC=C(F)C=C1)C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185889	1	44	-1.0	-41.84	357.80	6.62	-35.22
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CC1NC2=CC=NN2C(C)C1CCC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185890	1	51	-1.0	-46.85	365.55	4.67	-42.18
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CC1(C)[C@@H]2CC[C@@]1(C(=O)N1CCC(C3=N[N-]N=N3)CC1)C(=O)C2	REAL300020185892	0	45	-1.0	-43.62	325.29	4.86	-38.76
CC1(C)[C@@H]2CC[C@@]1(C(=O)N1CCC(C3=NN=N[N-]3)CC1)C(=O)C2	REAL300020185892	1	45	-1.0	-43.62	325.35	4.87	-38.75
CSC1=NC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C(=O)N1	REAL300020185893	0	36	-1.0	-54.07	316.42	1.84	-52.23
CSC1=NC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C(=O)N1	REAL300020185893	1	36	-1.0	-54.05	316.48	1.86	-52.19
CSC1=NC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C(=O)[N-]1	REAL300020185893	1	35	-2.0	-87.13	309.49	0.63	-86.50
CSC1=NC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C(=O)[N-]1	REAL300020185893	1	35	-2.0	-87.11	309.54	0.64	-86.47
CC(C)(C(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=CC(O)=C1	REAL300020185894	0	43	-1.0	-42.70	320.84	3.24	-39.46
CC(C)(C(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=CC(O)=C1	REAL300020185894	1	43	-1.0	-42.73	320.90	3.26	-39.47
O=C(N1CCC(C2=N[N-]N=N2)CC1)C1(Cl)CC2CCC1O2	REAL300020185895	0	38	-1.0	-41.35	297.83	2.93	-38.42
O=C(N1CCC(C2=NN=N[N-]2)CC1)C1(Cl)CC2CCC1O2	REAL300020185895	1	38	-1.0	-41.35	297.88	2.94	-38.41
N#CC1=C2C(C(=O)N3CCC(C4=N[N-]N=N4)CC3)=CNC2=CC=C1	REAL300020185896	0	38	-1.0	-60.04	318.97	4.75	-55.29
N#CC1=C2C(C(=O)N3CCC(C4=NN=N[N-]4)CC3)=CNC2=CC=C1	REAL300020185896	1	38	-1.0	-60.04	319.03	4.76	-55.28
C=CC(=O)NC1=CC=C(O)C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020185897	0	42	-1.0	-49.02	349.20	1.43	-47.59
C=CC(=O)NC1=CC=C(O)C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020185897	1	42	-1.0	-49.01	349.26	1.44	-47.57
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COC1=CC=C(C2=NN(CC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C2C=O)C=C1	REAL300020185899	0	49	-1.0	-60.25	402.47	5.50	-54.75
COC1=CC=C(C2=NN(CC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C2C=O)C=C1	REAL300020185899	1	49	-1.0	-60.23	402.41	5.49	-54.74
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)[N-]C(=O)C(C#N)=C1	REAL300020185900	0	36	-2.0	-93.13	316.32	1.23	-91.90
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)[N-]C(=O)C(C#N)=C1	REAL300020185900	1	36	-2.0	-93.09	316.37	1.25	-91.84
CC(C)(CC1=CC=C(O)C=C1)C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185901	0	46	-1.0	-42.79	348.04	3.66	-39.13
CC(C)(CC1=CC=C(O)C=C1)C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185901	1	46	-1.0	-42.82	348.09	3.68	-39.14
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O=C(N1CCC(C2=NN=N[N-]2)CC1)C1(CC2=CC=C(O)C=C2)CC1	REAL300020185902	1	44	-1.0	-47.21	354.09	4.35	-42.86
O=C(N1CCC(C2=N[N-]N=N2)CC1)C1(C2=CC=CC=C2)CC1Br	REAL300020185903	0	40	-1.0	-42.37	339.23	6.84	-35.53
O=C(N1CCC(C2=NN=N[N-]2)CC1)C1(C2=CC=CC=C2)CC1Br	REAL300020185903	1	40	-1.0	-42.39	339.28	6.86	-35.53
CN1C2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C2N=C1CO	REAL300020185904	0	43	-1.0	-55.05	348.92	2.10	-52.95
CN1C2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C2N=C1CO	REAL300020185904	1	43	-1.0	-55.02	348.98	2.11	-52.91
CC1=NC2=CC=C(O)C=C2C=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185905	0	42	-1.0	-44.79	340.38	2.58	-42.21
CC1=NC2=CC=C(O)C=C2C=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185905	1	42	-1.0	-44.76	340.44	2.59	-42.17
CN1C=C([C@@H]2[C@@H](C(=O)N3CCC(C4=NN=N[N-]4)CC3)[C@@H](O)C(=O)N2C)C=N1	REAL300020185906	0	48	-1.0	-51.33	379.37	1.83	-49.50
CN1C=C([C@@H]2[C@@H](C(=O)N3CCC(C4=N[N-]N=N4)CC3)[C@@H](O)C(=O)N2C)C=N1	REAL300020185906	1	48	-1.0	-51.26	379.32	1.82	-49.44
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COC1=CC=C(CC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1O	REAL300020185908	1	41	-1.0	-48.30	335.02	2.61	-45.69
CN1N=C(C(=O)OC(C)(C)C)C=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185909	0	48	-1.0	-42.81	379.86	4.82	-37.99
CN1N=C(C(=O)OC(C)(C)C)C=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185909	1	48	-1.0	-42.83	379.81	4.81	-38.02
CC(C1=CC=CC=C1F)C(O)C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185910	0	43	-1.0	-43.47	333.99	4.13	-39.34
CC(C1=CC=CC=C1F)C(O)C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185910	1	43	-1.0	-43.52	334.05	4.14	-39.38
O=C(C1=C(C(F)F)N=CS1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185911	0	32	-1.0	-44.29	290.66	2.58	-41.71
O=C(C1=C(C(F)F)N=CS1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185911	1	32	-1.0	-44.34	290.71	2.60	-41.74
CS(C)(=O)=NC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020185912	0	43	-1.0	-58.52	351.67	2.81	-55.71
CS(C)(=O)=NC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020185912	1	43	-1.0	-58.52	351.73	2.83	-55.69
CC(C)(C)C1=CSC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020185913	0	41	-1.0	-46.15	336.10	4.11	-42.04
CC(C)(C)C1=CSC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020185913	1	41	-1.0	-46.14	336.04	4.10	-42.04
O=C(CC1=CC=C(Br)C=C1Cl)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185914	0	36	-1.0	-41.54	330.19	6.49	-35.05
O=C(CC1=CC=C(Br)C=C1Cl)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185914	1	36	-1.0	-41.51	330.25	6.51	-35.00
O=C(C1=CC2=C(C3CC3)C=CC=C2N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185915	0	44	-1.0	-43.93	349.66	6.97	-36.96
O=C(C1=CC2=C(C3CC3)C=CC=C2N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185915	1	44	-1.0	-43.94	349.72	6.98	-36.96
O=C(C1=CN(CC2CC2)N=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185916	0	40	-1.0	-44.36	325.78	4.62	-39.74
O=C(C1=CN(CC2CC2)N=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185916	1	40	-1.0	-44.37	325.72	4.60	-39.77
CC1=C(CC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(=O)NC(=O)N1	REAL300020185917	0	39	-1.0	-56.18	321.17	0.16	-56.02
CC1=C(CC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(=O)NC(=O)N1	REAL300020185917	1	39	-1.0	-56.17	321.23	0.18	-55.99
O=C(CC1C(=O)NC2=CC=C(F)C=C21)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185918	0	41	-1.0	-50.04	337.78	5.27	-44.77
O=C(CC1C(=O)NC2=CC=C(F)C=C21)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185918	1	41	-1.0	-50.06	337.84	5.29	-44.77
O=CC1=CC=C(C2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)CC3)C([O-])=C2)O1	REAL300020185919	0	42	-2.0	-122.70	362.19	4.92	-117.78
O=CC1=CC=C(C2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)CC3)C([O-])=C2)O1	REAL300020185919	1	42	-2.0	-122.75	362.14	4.90	-117.85
O=CC1=CC=C(C2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)CC3)C(O)=C2)O1	REAL300020185919	1	43	-1.0	-56.34	365.76	4.10	-52.24
O=CC1=CC=C(C2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)CC3)C(O)=C2)O1	REAL300020185919	1	43	-1.0	-56.31	365.70	4.09	-52.22
CCC(O)CN1C=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)N=N1	REAL300020185920	0	42	-1.0	-48.10	341.56	0.62	-47.48
CCC(O)CN1C=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)N=N1	REAL300020185920	1	42	-1.0	-48.11	341.50	0.61	-47.50
O=C(C(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CNC2=CC(F)=CC=C12	REAL300020185921	0	39	-1.0	-41.76	327.13	4.60	-37.16
O=C(C(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CNC2=CC(F)=CC=C12	REAL300020185921	1	39	-1.0	-41.78	327.18	4.62	-37.16
N#CCS(=O)(=O)C1=CC=C(F)C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020185922	0	40	-1.0	-58.74	359.29	2.72	-56.02
N#CCS(=O)(=O)C1=CC=C(F)C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020185922	1	40	-1.0	-58.74	359.35	2.74	-56.00
CS(C)(=O)=NC1=CC=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185923	0	43	-1.0	-58.69	352.41	2.95	-55.74
CS(C)(=O)=NC1=CC=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185923	1	43	-1.0	-58.68	352.47	2.96	-55.72
O=C(CC1=NC(C2CC2)=CS1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185924	0	39	-1.0	-44.85	330.33	4.63	-40.22
O=C(CC1=NC(C2CC2)=CS1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185924	1	39	-1.0	-44.88	330.38	4.65	-40.23
O=C(C1CCCN2N=CN=C12)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185925	0	39	-1.0	-44.42	309.56	4.53	-39.89
O=C(C1CCCN2N=CN=C12)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185925	1	39	-1.0	-44.40	309.61	4.55	-39.85
CCCCCCC(O)CCC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185926	0	51	-1.0	-41.72	394.75	4.68	-37.04
CCCCCCC(O)CCC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185926	1	51	-1.0	-41.76	394.81	4.70	-37.06
COC1=CN=NC(OC)=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185927	0	39	-1.0	-46.89	325.78	-0.57	-47.46
COC1=CN=NC(OC)=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185927	1	39	-1.0	-46.84	325.72	-0.58	-47.42
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O=C(CS(=O)C1=CC=C(Cl)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185928	1	38	-1.0	-54.72	341.99	4.12	-50.60
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CC1CCC2=NNC=C2C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185930	0	43	-1.0	-44.62	323.47	3.73	-40.89
CC1CCC2=NNC=C2C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185930	1	43	-1.0	-44.62	323.53	3.74	-40.88
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CC1=CC2=C(S1)C(CC(=O)N1CCC(C3=N[N-]N=N3)CC1)=CS2	REAL300020185934	0	39	-1.0	-44.10	343.47	6.69	-37.41
CC1=CC2=C(S1)C(CC(=O)N1CCC(C3=NN=N[N-]3)CC1)=CS2	REAL300020185934	1	39	-1.0	-44.07	343.53	6.71	-37.36
CN1N=C2CCSCC2=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185935	0	41	-1.0	-44.04	339.91	4.40	-39.64
CN1N=C2CCSCC2=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185935	1	41	-1.0	-44.07	339.97	4.42	-39.65
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CC1=CC=C(NC2CC2)C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020185937	0	45	-1.0	-42.84	354.98	5.75	-37.09
CC1=CC=C(NC2CC2)C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020185937	1	45	-1.0	-42.85	355.04	5.76	-37.09
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CN(C(=O)OC(C)(C)C)C1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020185969	0	53	-1.0	-53.32	413.76	6.87	-46.45
CN(C(=O)OC(C)(C)C)C1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020185969	1	53	-1.0	-53.30	413.82	6.89	-46.41
CC(C)(C)OC(=O)NC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=N1	REAL300020185970	0	49	-1.0	-47.01	386.59	4.34	-42.67
CC(C)(C)OC(=O)NC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=N1	REAL300020185970	1	49	-1.0	-47.03	386.65	4.36	-42.67
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CC(C)C1=CC=C(C2=NC(CC(=O)N3CCC(C4=NN=N[N-]4)CC3)=CS2)C=C1	REAL300020185972	0	51	-1.0	-49.75	418.54	8.35	-41.40
CC(C)C1=CC=C(C2=NC(CC(=O)N3CCC(C4=N[N-]N=N4)CC3)=CS2)C=C1	REAL300020185972	1	51	-1.0	-49.72	418.48	8.34	-41.38
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O=C(CC1=CSC(C2CCS(=O)(=O)C2)=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185973	1	45	-1.0	-53.30	384.91	1.71	-51.59
C[C@H]1CC[C@H](C2=NC(CC(=O)N3CCC(C4=N[N-]N=N4)CC3)=CS2)CC1	REAL300020185974	0	51	-1.0	-43.89	405.00	6.96	-36.93
C[C@H]1CC[C@H](C2=NC(CC(=O)N3CCC(C4=NN=N[N-]4)CC3)=CS2)CC1	REAL300020185974	1	51	-1.0	-43.90	405.06	6.98	-36.92
COC1=CC=C(C2=CC(C(=O)N3CCC(C4=NN=N[N-]4)CC3)=NO2)C=C1	REAL300020185975	0	43	-1.0	-42.76	355.04	5.35	-37.41
COC1=CC=C(C2=CC(C(=O)N3CCC(C4=N[N-]N=N4)CC3)=NO2)C=C1	REAL300020185975	1	43	-1.0	-42.76	354.99	5.33	-37.43
CCC1=CC=C(C2=CC(C(=O)N3CCC(C4=NN=N[N-]4)CC3)=NO2)C=C1	REAL300020185976	0	45	-1.0	-41.66	368.49	7.49	-34.17
CCC1=CC=C(C2=CC(C(=O)N3CCC(C4=N[N-]N=N4)CC3)=NO2)C=C1	REAL300020185976	1	45	-1.0	-41.64	368.44	7.48	-34.16
CC(C)(C(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=C(C(F)(F)F)C=C1	REAL300020185977	0	45	-1.0	-44.79	349.31	7.08	-37.71
CC(C)(C(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=C(C(F)(F)F)C=C1	REAL300020185977	1	45	-1.0	-44.83	349.37	7.10	-37.73
CC(C)(C(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=C(F)C=C1F	REAL300020185978	0	42	-1.0	-42.74	327.65	5.82	-36.92
CC(C)(C(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=C(F)C=C1F	REAL300020185978	1	42	-1.0	-42.75	327.70	5.84	-36.91
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)SC(C2=CC=C(C)C=C2F)=N1	REAL300020185979	0	45	-1.0	-43.66	379.43	6.68	-36.98
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)SC(C2=CC=C(C)C=C2F)=N1	REAL300020185979	1	45	-1.0	-43.68	379.37	6.66	-37.02
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)SC(C2=CC=C(F)C(C)=C2)=N1	REAL300020185980	0	45	-1.0	-42.21	381.71	6.69	-35.52
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)SC(C2=CC=C(F)C(C)=C2)=N1	REAL300020185980	1	45	-1.0	-42.16	381.66	6.68	-35.48
COC(=O)C1=NN(CC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020185981	0	39	-1.0	-55.20	331.03	3.54	-51.66
COC(=O)C1=NN(CC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020185981	1	39	-1.0	-55.19	330.97	3.53	-51.66
COC(=O)C1=NN(CCCC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020185982	0	45	-1.0	-53.37	374.62	4.95	-48.42
COC(=O)C1=NN(CCCC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020185982	1	45	-1.0	-53.35	374.56	4.93	-48.42
CCCCC1=NC(C)=C(CC(=O)N2CCC(C3=N[N-]N=N3)CC2)S1	REAL300020185983	0	47	-1.0	-44.66	385.44	6.28	-38.38
CCCCC1=NC(C)=C(CC(=O)N2CCC(C3=NN=N[N-]3)CC2)S1	REAL300020185983	1	47	-1.0	-44.68	385.50	6.29	-38.39
CC1=C(CC(=O)N2CCC(C3=N[N-]N=N3)CC2)SC(C2CCC2)=N1	REAL300020185984	0	45	-1.0	-44.99	368.80	6.11	-38.88
CC1=C(CC(=O)N2CCC(C3=NN=N[N-]3)CC2)SC(C2CCC2)=N1	REAL300020185984	1	45	-1.0	-45.00	368.86	6.13	-38.87
CC1=C(CC(=O)N2CCC(C3=N[N-]N=N3)CC2)SC(C2=NN(C)C=C2)=N1	REAL300020185985	0	45	-1.0	-52.40	384.06	4.72	-47.68
CC1=C(CC(=O)N2CCC(C3=NN=N[N-]3)CC2)SC(C2=NN(C)C=C2)=N1	REAL300020185985	1	45	-1.0	-52.45	384.11	4.73	-47.72
CC(C)(CC1=CC=C(Br)C=C1)C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185986	0	45	-1.0	-40.42	358.09	7.11	-33.31
CC(C)(CC1=CC=C(Br)C=C1)C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185986	1	45	-1.0	-40.46	358.15	7.12	-33.34
NC1=CC(C(F)(F)F)=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185987	0	38	-1.0	-40.95	321.51	3.52	-37.43
NC1=CC(C(F)(F)F)=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020185987	1	38	-1.0	-40.95	321.57	3.53	-37.42
NC1=CC(Cl)=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020185988	0	35	-1.0	-40.46	299.44	2.99	-37.47
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CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=CN1CC1=CC=CC=C1	REAL300020186084	0	47	-1.0	-45.95	376.57	8.48	-37.47
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=CN1CC1=CC=CC=C1	REAL300020186084	1	47	-1.0	-45.99	376.62	8.50	-37.49
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C(C(F)(F)F)=CO1	REAL300020186085	0	36	-1.0	-47.36	315.08	4.44	-42.92
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CC1(C)COC(CCC(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020186090	0	46	-1.0	-41.58	353.30	4.73	-36.85
CC1(C)COC(CCC(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020186090	1	46	-1.0	-41.63	353.36	4.74	-36.89
CC1=NN(C2CCOCC2)C=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186091	0	47	-1.0	-45.46	366.85	3.64	-41.82
CC1=NN(C2CCOCC2)C=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186091	1	47	-1.0	-45.45	366.91	3.65	-41.80
CC(C)(CC(=O)N1CCC(C2=N[N-]N=N2)CC1)CC(F)(F)F	REAL300020186092	0	41	-1.0	-43.22	316.27	5.17	-38.05
CC(C)(CC(=O)N1CCC(C2=NN=N[N-]2)CC1)CC(F)(F)F	REAL300020186092	1	41	-1.0	-43.26	316.33	5.18	-38.08
COC1=CC=C(CCCCC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1OC	REAL300020186093	0	53	-1.0	-46.39	417.85	7.03	-39.36
COC1=CC=C(CCCCC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1OC	REAL300020186093	1	53	-1.0	-46.39	417.91	7.04	-39.35
COC1=CC=C2CC(C(=O)N3CCC(C4=N[N-]N=N4)CC3)CCC2=C1	REAL300020186094	0	47	-1.0	-43.38	363.64	6.33	-37.05
COC1=CC=C2CC(C(=O)N3CCC(C4=NN=N[N-]4)CC3)CCC2=C1	REAL300020186094	1	47	-1.0	-43.42	363.69	6.34	-37.08
CC(C)(C)C12CC(C(=O)N3CCC(C4=N[N-]N=N4)CC3)(C1)C2	REAL300020186095	0	46	-1.0	-41.26	350.60	6.60	-34.66
CC(C)(C)C12CC(C(=O)N3CCC(C4=NN=N[N-]4)CC3)(C1)C2	REAL300020186095	1	46	-1.0	-41.24	350.66	6.62	-34.62
CN1N=C(C(F)(F)F)C2=C1SC(C(=O)N1CCC(C3=NN=N[N-]3)CC1)=C2	REAL300020186096	0	39	-1.0	-44.14	351.43	4.55	-39.59
CN1N=C(C(F)(F)F)C2=C1SC(C(=O)N1CCC(C3=N[N-]N=N3)CC1)=C2	REAL300020186096	1	39	-1.0	-44.15	351.37	4.53	-39.62
CC1=CC(C)=NC(N2CCC(C(=O)N3CCC(C4=N[N-]N=N4)CC3)CC2)=N1	REAL300020186097	0	52	-1.0	-46.77	401.11	6.65	-40.12
CC1=CC(C)=NC(N2CCC(C(=O)N3CCC(C4=NN=N[N-]4)CC3)CC2)=N1	REAL300020186097	1	52	-1.0	-46.80	401.16	6.66	-40.14
O=C(C1=NC=C2C=CSC2=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186098	0	35	-1.0	-44.85	301.40	4.93	-39.92
O=C(C1=NC=C2C=CSC2=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186098	1	35	-1.0	-44.80	301.34	4.91	-39.89
O=C(CCN1CC2=CC=CC=C2C1=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186099	0	44	-1.0	-48.02	359.55	5.65	-42.37
O=C(CCN1CC2=CC=CC=C2C1=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186099	1	44	-1.0	-48.04	359.60	5.66	-42.38
CC(C(=O)N1CCC(C2=N[N-]N=N2)CC1)N1C=CC(C2CC2)=N1	REAL300020186100	0	43	-1.0	-44.26	344.79	5.16	-39.10
CC(C(=O)N1CCC(C2=NN=N[N-]2)CC1)N1C=CC(C2CC2)=N1	REAL300020186100	1	43	-1.0	-44.25	344.85	5.18	-39.07
CC1=NN2C=C(C(=O)N3CCC(C4=N[N-]N=N4)CC3)N=C2S1	REAL300020186101	0	35	-1.0	-47.03	305.33	3.98	-43.05
CC1=NN2C=C(C(=O)N3CCC(C4=NN=N[N-]4)CC3)N=C2S1	REAL300020186101	1	35	-1.0	-47.06	305.39	4.00	-43.06
CC(C)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C(=O)N1	REAL300020186102	0	42	-1.0	-49.81	338.98	3.50	-46.31
CC(C)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C(=O)N1	REAL300020186102	1	42	-1.0	-49.79	339.04	3.52	-46.27
O=C(C1=C(C(F)F)N2N=CC=C2N=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186103	0	38	-1.0	-42.76	322.53	3.96	-38.80
O=C(C1=C(C(F)F)N2N=CC=C2N=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186103	1	38	-1.0	-42.76	322.58	3.97	-38.79
O=C(C1=CC=CC=C1C1=NC=CN1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186104	0	40	-1.0	-53.80	324.45	5.52	-48.28
O=C(C1=CC=CC=C1C1=NC=CN1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186104	1	40	-1.0	-53.82	324.51	5.54	-48.28
O=C(C1=CN2CCCCC2=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186105	0	40	-1.0	-46.54	314.42	5.47	-41.07
O=C(C1=CN2CCCCC2=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186105	1	40	-1.0	-46.53	314.48	5.48	-41.05
CN1N=CC2=CC(CC(=O)N3CCC(C4=NN=N[N-]4)CC3)=CC=C21	REAL300020186106	0	42	-1.0	-47.61	344.07	5.44	-42.17
CN1N=CC2=CC(CC(=O)N3CCC(C4=N[N-]N=N4)CC3)=CC=C21	REAL300020186106	1	42	-1.0	-47.59	344.01	5.43	-42.16
COC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C2=CN=CC=C12	REAL300020186107	0	42	-1.0	-48.27	339.07	4.29	-43.98
COC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C2=CN=CC=C12	REAL300020186107	1	42	-1.0	-48.26	339.02	4.28	-43.98
COC1=CC=C(Cl)C=C1C(F)(F)C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186108	0	40	-1.0	-44.32	342.09	5.36	-38.96
COC1=CC=C(Cl)C=C1C(F)(F)C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186108	1	40	-1.0	-44.33	342.14	5.37	-38.96
O=C([C@H]1CC[C@H](OC(F)F)CC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186109	0	43	-1.0	-42.65	336.25	4.09	-38.56
O=C([C@H]1CC[C@H](OC(F)F)CC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186109	1	43	-1.0	-42.65	336.31	4.11	-38.54
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C(C(C)(C)C)O1	REAL300020186110	0	45	-1.0	-42.08	354.86	6.07	-36.01
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C(C(C)(C)C)O1	REAL300020186110	1	45	-1.0	-42.08	354.91	6.08	-36.00
O=C(C1=CN=C(F)C(Cl)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186111	0	32	-1.0	-40.46	288.04	3.12	-37.34
O=C(C1=CN=C(F)C(Cl)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186111	1	32	-1.0	-40.44	287.98	3.11	-37.33
CN1N=C(C2CC2)C=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186112	0	40	-1.0	-40.49	319.81	4.28	-36.21
CN1N=C(C2CC2)C=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186112	1	40	-1.0	-40.53	319.87	4.30	-36.23
CCC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC(Cl)=N1	REAL300020186113	0	38	-1.0	-40.94	322.99	4.48	-36.46
CCC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC(Cl)=N1	REAL300020186113	1	38	-1.0	-40.96	323.04	4.50	-36.46
CC1=CC(C#N)=CC(C)=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186114	0	40	-1.0	-42.26	334.01	6.04	-36.22
CC1=CC(C#N)=CC(C)=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186114	1	40	-1.0	-42.23	334.07	6.06	-36.17
CCC1=C(C)C=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C(=O)N1	REAL300020186115	0	42	-1.0	-57.77	338.20	3.36	-54.41
CCC1=C(C)C=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C(=O)N1	REAL300020186115	1	42	-1.0	-57.77	338.26	3.38	-54.39
COC1=CC=CN2N=CC(C(=O)N3CCC(C4=NN=N[N-]4)CC3)=C12	REAL300020186116	0	40	-1.0	-50.99	324.79	4.55	-46.44
COC1=CC=CN2N=CC(C(=O)N3CCC(C4=N[N-]N=N4)CC3)=C12	REAL300020186116	1	40	-1.0	-50.98	324.73	4.53	-46.45
O=C(C1=CN(C2CCC2)N=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186117	0	40	-1.0	-43.50	318.58	4.18	-39.32
O=C(C1=CN(C2CCC2)N=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186117	1	40	-1.0	-43.50	318.52	4.17	-39.33
CC1=CN2N=NC(C(=O)N3CCC(C4=N[N-]N=N4)CC3)=C2C(=O)N1	REAL300020186118	0	38	-1.0	-53.94	314.60	2.29	-51.65
CC1=CN2N=NC(C(=O)N3CCC(C4=NN=N[N-]4)CC3)=C2C(=O)N1	REAL300020186118	1	38	-1.0	-53.95	314.66	2.31	-51.64
O=C(C1=CC=NN1C1CCC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186119	0	40	-1.0	-40.84	314.48	4.43	-36.41
O=C(C1=CC=NN1C1CCC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186119	1	40	-1.0	-40.86	314.42	4.41	-36.45
O=C(C1=CC(C(F)F)=NC=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186120	0	34	-1.0	-42.62	294.09	4.20	-38.42
O=C(C1=CC(C(F)F)=NC=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186120	1	34	-1.0	-42.70	294.15	4.22	-38.48
O=C(C1=C(C2CC2)OC(C2CC2)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186121	0	44	-1.0	-43.21	355.53	7.31	-35.90
O=C(C1=C(C2CC2)OC(C2CC2)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186121	1	44	-1.0	-43.22	355.58	7.33	-35.89
O=C(C1=CC(S(=O)(=O)F)=CN1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186122	0	34	-1.0	-51.87	302.06	-0.10	-51.97
O=C(C1=CC(S(=O)(=O)F)=CN1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186122	1	34	-1.0	-51.85	302.12	-0.08	-51.93
N#CC1(C(=O)N2CCC(C3=N[N-]N=N3)CC2)CC2CCC1C2	REAL300020186123	0	41	-1.0	-45.14	310.68	4.71	-40.43
N#CC1(C(=O)N2CCC(C3=NN=N[N-]3)CC2)CC2CCC1C2	REAL300020186123	1	41	-1.0	-45.12	310.74	4.73	-40.39
CCOC(=O)N(C)CCCC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186124	0	46	-1.0	-47.98	369.60	4.53	-43.45
CCOC(=O)N(C)CCCC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186124	1	46	-1.0	-48.01	369.65	4.54	-43.47
O=C(CC1CCC2(CCC2)CO1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186125	0	47	-1.0	-45.08	353.69	6.06	-39.02
O=C(CC1CCC2(CCC2)CO1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186125	1	47	-1.0	-45.11	353.75	6.08	-39.03
O=C(CC1CCC2(CCOCC2)CO1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186126	0	51	-1.0	-44.23	371.78	4.68	-39.55
O=C(CC1CCC2(CCOCC2)CO1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186126	1	51	-1.0	-44.24	371.84	4.69	-39.55
O=C(C1CC2CCC(C1)S2)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186127	0	41	-1.0	-43.17	309.75	5.38	-37.79
O=C(C1CC2CCC(C1)S2)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186127	1	41	-1.0	-43.18	309.81	5.39	-37.79
CC1=CC(C)=C(CC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(C)=C1Br	REAL300020186128	0	45	-1.0	-44.01	365.05	7.57	-36.44
CC1=CC(C)=C(CC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(C)=C1Br	REAL300020186128	1	45	-1.0	-44.01	365.10	7.58	-36.43
O=C(C1=CSC=C1C(F)F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186129	0	33	-1.0	-46.54	291.92	4.31	-42.23
O=C(C1=CSC=C1C(F)F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186129	1	33	-1.0	-46.52	291.97	4.33	-42.19
COC1=CC=C(CCCC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1OC	REAL300020186130	0	50	-1.0	-47.88	396.30	6.23	-41.65
COC1=CC=C(CCCC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1OC	REAL300020186130	1	50	-1.0	-47.84	396.36	6.25	-41.59
O=C([C@@H]1[C@@H](C2=CC=CC=C2)C1(F)F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186131	0	40	-1.0	-41.15	331.89	6.82	-34.33
O=C([C@@H]1[C@@H](C2=CC=CC=C2)C1(F)F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186131	1	40	-1.0	-41.17	331.95	6.84	-34.33
CCOC1=CC=C(CCCC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1OCC	REAL300020186132	0	56	-1.0	-47.65	440.02	8.07	-39.58
CCOC1=CC=C(CCCC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1OCC	REAL300020186132	1	56	-1.0	-47.66	440.07	8.09	-39.57
O=C(CCC1=CC=CC(O)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186133	0	40	-1.0	-44.12	327.12	3.42	-40.70
O=C(CCC1=CC=CC(O)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186133	1	40	-1.0	-44.14	327.17	3.43	-40.71
O=C(C1=CN=C(Cl)C=C1C(F)(F)F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186134	0	35	-1.0	-42.57	315.90	3.96	-38.61
O=C(C1=CN=C(Cl)C=C1C(F)(F)F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186134	1	35	-1.0	-42.56	315.85	3.94	-38.62
O=C(C1=CC=CC2=C1C(=O)N=CN2)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186135	0	38	-1.0	-73.02	312.53	4.22	-68.80
O=C(C1=CC=CC2=C1C(=O)N=CN2)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186135	1	38	-1.0	-73.04	312.59	4.23	-68.81
CC1=CC(O)=CC=C1CC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186136	0	40	-1.0	-44.41	322.43	3.09	-41.32
CC1=CC(O)=CC=C1CC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186136	1	40	-1.0	-44.43	322.49	3.10	-41.33
C[NH+](C)CCC1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020186137	0	48	0.0	-67.43	370.68	7.15	-60.28
C[NH+](C)CCC1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020186137	1	48	0.0	-67.41	370.74	7.17	-60.24
O=C(C1=CNC2=CC(=O)C=CC2=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186138	0	39	-1.0	-53.76	325.28	4.34	-49.42
O=C(C1=CNC2=CC(=O)C=CC2=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186138	1	39	-1.0	-53.80	325.34	4.36	-49.44
CC1(C)OC[C@H](C=CC(=O)N2CCC(C3=N[N-]N=N3)CC2)O1	REAL300020186139	0	42	-1.0	-43.28	337.13	3.41	-39.87
CC1(C)OC[C@H](C=CC(=O)N2CCC(C3=NN=N[N-]3)CC2)O1	REAL300020186139	1	42	-1.0	-43.26	337.19	3.43	-39.83
O=C(C1=C(Cl)C=CN=C1Br)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186140	0	32	-1.0	-44.37	305.33	3.72	-40.65
O=C(C1=C(Cl)C=CN=C1Br)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186140	1	32	-1.0	-44.37	305.28	3.70	-40.67
CS(=O)(=O)CC1(C(=O)N2CCC(C3=N[N-]N=N3)CC2)COC1	REAL300020186141	0	40	-1.0	-58.55	324.21	-1.22	-59.77
CS(=O)(=O)CC1(C(=O)N2CCC(C3=NN=N[N-]3)CC2)COC1	REAL300020186141	1	40	-1.0	-58.55	324.27	-1.21	-59.76
O=C([C@@H]1CC[C@H](CN2C=CN=C2)O1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186142	0	44	-1.0	-52.55	349.81	6.15	-46.40
O=C([C@@H]1CC[C@H](CN2C=CN=C2)O1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186142	1	44	-1.0	-52.58	349.87	6.17	-46.41
O=CC1=CC=C(C2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C2)C=C1	REAL300020186143	0	45	-1.0	-47.54	367.80	7.58	-39.96
O=CC1=CC=C(C2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C2)C=C1	REAL300020186143	1	45	-1.0	-47.56	367.86	7.60	-39.96
CC(C)CN1C=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020186144	0	42	-1.0	-45.42	329.44	5.15	-40.27
CC(C)CN1C=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020186144	1	42	-1.0	-45.37	329.38	5.14	-40.23
O=C(CCCC1=CC=C(Br)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186145	0	42	-1.0	-43.85	358.89	7.68	-36.17
O=C(CCCC1=CC=C(Br)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186145	1	42	-1.0	-43.84	358.95	7.69	-36.15
O=C(C1=NN(C2=CC(F)=CC(F)=C2)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186146	0	40	-1.0	-44.69	341.45	6.37	-38.32
O=C(C1=NN(C2=CC(F)=CC(F)=C2)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186146	1	40	-1.0	-44.66	341.39	6.35	-38.31
O=C(CCCCC1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186147	0	45	-1.0	-42.80	359.09	7.83	-34.97
O=C(CCCCC1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186147	1	45	-1.0	-42.84	359.15	7.85	-34.99
O=C(C1=NN2CCCC2=C1Br)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186148	0	37	-1.0	-47.45	315.86	4.29	-43.16
O=C(C1=NN2CCCC2=C1Br)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186148	1	37	-1.0	-47.43	315.92	4.31	-43.12
C=CCC1(C(=O)N2CCC(C3=N[N-]N=N3)CC2)CN(C(=O)OC(C)(C)C)C1	REAL300020186149	0	54	-1.0	-46.92	413.38	5.32	-41.60
C=CCC1(C(=O)N2CCC(C3=NN=N[N-]3)CC2)CN(C(=O)OC(C)(C)C)C1	REAL300020186149	1	54	-1.0	-46.98	413.43	5.34	-41.64
O=C(CC1=CN=C2NC=CC(Cl)=C12)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186150	0	39	-1.0	-55.17	333.75	5.15	-50.02
O=C(CC1=CN=C2NC=CC(Cl)=C12)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186150	1	39	-1.0	-55.23	333.81	5.17	-50.06
O=C(C1=CC(Br)=CN(C2CC2)C1=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186151	0	40	-1.0	-46.43	342.77	5.34	-41.09
O=C(C1=CC(Br)=CN(C2CC2)C1=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186151	1	40	-1.0	-46.43	342.83	5.35	-41.08
COC(=O)C1=NC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=CS1	REAL300020186152	0	35	-1.0	-46.28	311.85	3.08	-43.20
COC(=O)C1=NC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=CS1	REAL300020186152	1	35	-1.0	-46.29	311.80	3.07	-43.22
CCNC1=CC=C(C)C=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186153	0	44	-1.0	-42.12	345.74	4.90	-37.22
CCNC1=CC=C(C)C=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186153	1	44	-1.0	-42.15	345.80	4.92	-37.23
O=C(C1=C(Cl)C=CC=C1C(F)(F)F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186154	0	36	-1.0	-46.67	317.62	5.81	-40.86
O=C(C1=C(Cl)C=CC=C1C(F)(F)F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186154	1	36	-1.0	-46.66	317.68	5.83	-40.83
CC1=C2OC=C(CC(=O)N3CCC(C4=N[N-]N=N4)CC3)C2=CC=C1Cl	REAL300020186155	0	42	-1.0	-45.10	357.91	6.90	-38.20
CC1=C2OC=C(CC(=O)N3CCC(C4=NN=N[N-]4)CC3)C2=CC=C1Cl	REAL300020186155	1	42	-1.0	-45.10	357.96	6.91	-38.19
NC1=C([N+](=O)[O-])C2=CC=CC=C2C=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186156	0	43	-1.0	-47.71	356.73	5.67	-42.04
NC1=C([N+](=O)[O-])C2=CC=CC=C2C=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186156	1	43	-1.0	-47.73	356.79	5.68	-42.05
CN(C)CC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)O1	REAL300020186157	0	41	-1.0	-41.24	329.34	2.45	-38.79
CN(C)CC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)O1	REAL300020186157	1	41	-1.0	-41.23	329.40	2.46	-38.77
C[NH+](C)CC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)O1	REAL300020186157	1	42	0.0	-68.21	331.82	4.94	-63.27
CC(C)[N@@H+]1CCCC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020186158	0	48	0.0	-54.75	339.47	5.98	-48.77
CC(C)[N@H+]1CCCC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020186158	1	48	0.0	-52.55	337.80	5.69	-46.86
CC(C)[N@@H+]1CCCC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020186158	1	48	0.0	-54.83	339.52	5.99	-48.84
CC(C)[N@H+]1CCCC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020186158	1	48	0.0	-52.53	337.86	5.71	-46.82
O=C(C1=CC=C(CN2CCCC2)O1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186159	0	45	-1.0	-40.82	353.54	3.45	-37.37
O=C(C1=CC=C(C[NH+]2CCCC2)O1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186159	1	46	0.0	-66.49	357.19	6.05	-60.44
O=C(C1=CC=C(CN2CCCC2)O1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186159	1	45	-1.0	-40.86	353.60	3.46	-37.40
CC(=O)NC1=CN=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186160	0	39	-1.0	-44.66	319.39	1.74	-42.92
CC(=O)NC1=CN=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186160	1	39	-1.0	-44.67	319.34	1.72	-42.95
CCC[N@@H+]1CCCC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020186161	0	48	0.0	-62.39	353.95	6.11	-56.28
CCC[N@H+]1CCCC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020186161	1	48	0.0	-62.42	353.83	6.10	-56.32
CCC[N@@H+]1CCCC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020186161	1	48	0.0	-62.44	354.00	6.12	-56.32
CCC[N@H+]1CCCC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020186161	1	48	0.0	-62.48	353.88	6.12	-56.36
C[N@@H+]1CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C(C(F)(F)F)C1	REAL300020186162	0	42	0.0	-64.71	319.00	4.86	-59.85
C[N@H+]1CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C(C(F)(F)F)C1	REAL300020186162	1	42	0.0	-72.00	319.31	4.38	-67.62
C[N@@H+]1CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C(C(F)(F)F)C1	REAL300020186162	1	42	0.0	-64.72	319.06	4.88	-59.84
C[N@H+]1CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C(C(F)(F)F)C1	REAL300020186162	1	42	0.0	-72.02	319.37	4.40	-67.62
CC(C)(C(=O)N1CCC(C2=N[N-]N=N2)CC1)[C@@H]1CCC[C@H](C(F)(F)F)N1	REAL300020186163	0	50	-1.0	-44.37	369.05	4.19	-40.18
CC(C)(C(=O)N1CCC(C2=NN=N[N-]2)CC1)[C@@H]1CCC[C@H](C(F)(F)F)N1	REAL300020186163	1	50	-1.0	-44.40	369.11	4.20	-40.20
O=C(C1=NC=C(Br)C=C1[O-])N1CCC(C2=N[N-]N=N2)CC1	REAL300020186164	0	32	-2.0	-92.77	290.95	3.64	-89.13
O=C(C1=NC=C(Br)C=C1[O-])N1CCC(C2=NN=N[N-]2)CC1	REAL300020186164	1	32	-2.0	-92.78	291.01	3.66	-89.12
O=C(C1=NC=C(Br)C=C1O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186164	1	33	-1.0	-43.11	294.50	2.64	-40.47
O=C(C1=NC=C(Br)C=C1O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186164	1	33	-1.0	-43.15	294.56	2.66	-40.49
O=C(CC1=NC(C2CCCC2)=CS1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186165	0	45	-1.0	-44.34	363.72	5.68	-38.66
O=C(CC1=NC(C2CCCC2)=CS1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186165	1	45	-1.0	-44.37	363.78	5.69	-38.68
CN1N=C(C2=CC=CN=C2)C=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186166	0	42	-1.0	-44.34	342.05	4.00	-40.34
CN1N=C(C2=CC=CN=C2)C=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186166	1	42	-1.0	-44.31	341.99	3.98	-40.33
CN1N=C(C2=CC=NC=C2)C=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186167	0	42	-1.0	-41.76	342.72	4.01	-37.75
CN1N=C(C2=CC=NC=C2)C=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186167	1	42	-1.0	-41.76	342.78	4.02	-37.74
CN1N=C2CCS(=O)(=O)CC2=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186168	0	43	-1.0	-49.45	358.52	0.74	-48.71
CN1N=C2CCS(=O)(=O)CC2=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186168	1	43	-1.0	-49.46	358.58	0.76	-48.70
CCN1N=C(C2CC2)C=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186169	0	43	-1.0	-42.30	340.49	5.13	-37.17
CCN1N=C(C2CC2)C=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186169	1	43	-1.0	-42.31	340.55	5.15	-37.16
CC1=CN2N=CC(C(=O)N3CCC(C4=NN=N[N-]4)CC3)=C2N=C1	REAL300020186170	0	38	-1.0	-53.16	314.69	4.03	-49.13
CC1=CN2N=CC(C(=O)N3CCC(C4=N[N-]N=N4)CC3)=C2N=C1	REAL300020186170	1	38	-1.0	-53.12	314.63	4.01	-49.11
CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1CC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186171	0	59	-1.0	-42.35	434.47	6.36	-35.99
CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1CC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186171	1	59	-1.0	-42.35	434.53	6.38	-35.97
O=C(CC1CCC2(CCC2)O1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186172	0	44	-1.0	-47.09	339.07	5.31	-41.78
O=C(CC1CCC2(CCC2)O1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186172	1	44	-1.0	-47.12	339.12	5.32	-41.80
O=C(C1CCOC2(CCC2)C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186173	0	44	-1.0	-42.09	332.29	4.40	-37.69
O=C(C1CCOC2(CCC2)C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186173	1	44	-1.0	-42.11	332.35	4.41	-37.70
O=C(C=CC1=CC(Br)=CC=C1F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186174	0	37	-1.0	-43.10	330.31	6.61	-36.49
O=C(C=CC1=CC(Br)=CC=C1F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186174	1	37	-1.0	-43.12	330.36	6.62	-36.50
COC1=CC2=CC=C(C=CC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C2C=C1	REAL300020186175	0	47	-1.0	-45.18	379.02	7.49	-37.69
COC1=CC2=CC=C(C=CC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C2C=C1	REAL300020186175	1	47	-1.0	-45.18	379.08	7.50	-37.68
O=C(CC1=NC(C2CCCCC2)=CS1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186176	0	48	-1.0	-44.18	382.32	6.32	-37.86
O=C(CC1=NC(C2CCCCC2)=CS1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186176	1	48	-1.0	-44.25	382.38	6.33	-37.92
O=C(CC1=NN=C(C2CCOCC2)N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186177	0	46	-1.0	-54.66	363.01	3.40	-51.26
O=C(CC1=NN=C(C2CCOCC2)N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186177	1	46	-1.0	-54.64	363.07	3.42	-51.22
O=C(CCC1=CC=CC(OCC2=CC=CC=C2)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186178	0	53	-1.0	-45.45	427.36	9.55	-35.90
O=C(CCC1=CC=CC(OCC2=CC=CC=C2)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186178	1	53	-1.0	-45.48	427.42	9.56	-35.92
O=C(C1=NC2=CC=CC=C2C=C1C1CC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186179	0	45	-1.0	-48.73	362.85	6.98	-41.75
O=C(C1=NC2=CC=CC=C2C=C1C1CC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186179	1	45	-1.0	-48.73	362.79	6.97	-41.76
CN1N=C2CCCC2=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186180	0	40	-1.0	-42.52	321.56	4.20	-38.32
CN1N=C2CCCC2=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186180	1	40	-1.0	-42.54	321.62	4.21	-38.33
CC1=CC=C([N+](=O)[O-])C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1C	REAL300020186181	0	41	-1.0	-46.73	336.22	6.63	-40.10
CC1=CC=C([N+](=O)[O-])C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1C	REAL300020186181	1	41	-1.0	-46.75	336.27	6.64	-40.11
CN1C=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C(Br)=N1	REAL300020186182	0	33	-1.0	-48.63	295.70	2.74	-45.89
CN1C=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C(Br)=N1	REAL300020186182	1	33	-1.0	-48.66	295.65	2.73	-45.93
O=C(C1CC2(C1)CC(F)(F)C2)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186183	0	40	-1.0	-42.14	322.97	5.74	-36.40
O=C(C1CC2(C1)CC(F)(F)C2)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186183	1	40	-1.0	-42.16	323.03	5.76	-36.40
C[C@H](C(=O)N1CCC(C2=N[N-]N=N2)CC1)N1CC2=CC=CC=C2C1=O	REAL300020186184	0	44	-1.0	-54.53	350.32	6.56	-47.97
C[C@H](C(=O)N1CCC(C2=NN=N[N-]2)CC1)N1CC2=CC=CC=C2C1=O	REAL300020186184	1	44	-1.0	-54.56	350.38	6.58	-47.98
O=C(C1=COC2=C1C(=O)NCCC2)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186185	0	41	-1.0	-59.02	329.43	1.88	-57.14
O=C(C1=COC2=C1C(=O)NCCC2)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186185	1	41	-1.0	-59.02	329.49	1.90	-57.12
CC1=NC(=O)C2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C2N1	REAL300020186186	0	41	-1.0	-56.05	337.34	2.66	-53.39
CC1=NC(=O)C2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C2N1	REAL300020186186	1	41	-1.0	-56.06	337.40	2.68	-53.38
CC1=C(CC(=O)N2CCC(C3=N[N-]N=N3)CC2)SC(CC(F)(F)F)=N1	REAL300020186187	0	41	-1.0	-45.45	360.62	5.05	-40.40
CC1=C(CC(=O)N2CCC(C3=NN=N[N-]3)CC2)SC(CC(F)(F)F)=N1	REAL300020186187	1	41	-1.0	-45.47	360.68	5.07	-40.40
C[C@H](NC(=O)CCC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=CC=C1	REAL300020186188	0	49	-1.0	-44.20	393.23	5.48	-38.72
C[C@H](NC(=O)CCC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=CC=C1	REAL300020186188	1	49	-1.0	-44.21	393.29	5.50	-38.71
O=C(C1=CC2=C(Cl)C=NC=C2S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186189	0	35	-1.0	-42.10	317.67	4.50	-37.60
O=C(C1=CC2=C(Cl)C=NC=C2S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186189	1	35	-1.0	-42.06	317.62	4.48	-37.58
N#CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)NC2=CC=CC=C21	REAL300020186190	0	38	-1.0	-42.04	327.31	4.90	-37.14
N#CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)NC2=CC=CC=C21	REAL300020186190	1	38	-1.0	-42.06	327.36	4.92	-37.14
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COC1(C(=O)N2CCC(C3=NN=N[N-]3)CC2)CCS(=O)(=O)C1	REAL300020186212	1	40	-1.0	-46.07	314.71	-0.57	-46.64
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CCOC(=O)[C@@H]1CC[C@@H]1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186219	1	42	-1.0	-49.81	331.05	5.79	-44.02
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CC12CC3CC(C1)CC(C(=O)N1CCC(C4=NN=N[N-]4)CC1)(C3)C2	REAL300020186220	1	50	-1.0	-40.86	345.58	6.59	-34.27
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O=C(N1CCC(C2=NN=N[N-]2)CC1)C1(C2CCCCC2)CC1	REAL300020186221	1	46	-1.0	-41.03	335.48	6.26	-34.77
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COC1=CC=CC(C(F)F)=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186223	0	40	-1.0	-47.69	326.53	5.00	-42.69
COC1=CC=CC(C(F)F)=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186223	1	40	-1.0	-47.72	326.58	5.01	-42.71
CC1=CC=C(F)C(Br)=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186224	0	36	-1.0	-41.27	319.49	5.69	-35.58
CC1=CC=C(F)C(Br)=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186224	1	36	-1.0	-41.24	319.54	5.71	-35.53
CC(C)(C)CN1C(=O)NC2=CC=CC(C(=O)N3CCC(C4=N[N-]N=N4)CC3)=C21	REAL300020186225	0	52	-1.0	-47.43	376.59	5.86	-41.57
CC(C)(C)CN1C(=O)NC2=CC=CC(C(=O)N3CCC(C4=NN=N[N-]4)CC3)=C21	REAL300020186225	1	52	-1.0	-47.47	376.65	5.88	-41.59
CN1C(=O)C[C@H](C(=O)N2CCC(C3=N[N-]N=N3)CC2)[C@H]1C1=CC=C(F)C=C1	REAL300020186226	0	47	-1.0	-49.16	375.31	6.08	-43.08
CN1C(=O)C[C@H](C(=O)N2CCC(C3=NN=N[N-]3)CC2)[C@H]1C1=CC=C(F)C=C1	REAL300020186226	1	47	-1.0	-49.17	375.36	6.09	-43.08
CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186227	0	50	-1.0	-53.94	382.34	5.01	-48.93
CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186227	1	50	-1.0	-53.94	382.40	5.03	-48.91
CCN1C=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C(C2=CC=CC=C2)=N1	REAL300020186228	0	46	-1.0	-48.79	372.34	6.78	-42.01
CCN1C=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C(C2=CC=CC=C2)=N1	REAL300020186228	1	46	-1.0	-48.78	372.28	6.76	-42.02
CC(C)(C)OC(=O)NCC1=CC=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186229	0	53	-1.0	-47.87	414.74	4.80	-43.07
CC(C)(C)OC(=O)NCC1=CC=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186229	1	53	-1.0	-47.86	414.79	4.82	-43.04
CC(C)(C)OC(=O)CN1C=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C1=O	REAL300020186230	0	51	-1.0	-65.47	410.12	6.69	-58.78
CC(C)(C)OC(=O)CN1C=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C1=O	REAL300020186230	1	51	-1.0	-65.48	410.18	6.71	-58.77
N#CC1(C(=O)N2CCC(C3=N[N-]N=N3)CC2)CC2CCC1CC2	REAL300020186231	0	44	-1.0	-44.63	323.43	5.31	-39.32
N#CC1(C(=O)N2CCC(C3=NN=N[N-]3)CC2)CC2CCC1CC2	REAL300020186231	1	44	-1.0	-44.61	323.49	5.33	-39.28
COC1=CC=CC2=C(C(=O)N3CCC(C4=NN=N[N-]4)CC3)C=NN21	REAL300020186232	0	40	-1.0	-49.76	328.36	3.00	-46.76
COC1=CC=CC2=C(C(=O)N3CCC(C4=N[N-]N=N4)CC3)C=NN21	REAL300020186232	1	40	-1.0	-49.72	328.30	2.99	-46.73
COC(=O)C1=CC(C)=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)O1	REAL300020186233	0	39	-1.0	-41.06	326.26	4.21	-36.85
COC(=O)C1=CC(C)=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)O1	REAL300020186233	1	39	-1.0	-41.09	326.31	4.23	-36.86
CC1=CC=C(C2=NOC(C(=O)N3CCC(C4=N[N-]N=N4)CC3)C2)C=C1	REAL300020186234	0	44	-1.0	-46.28	356.42	6.65	-39.63
CC1=CC=C(C2=NOC(C(=O)N3CCC(C4=NN=N[N-]4)CC3)C2)C=C1	REAL300020186234	1	44	-1.0	-46.30	356.48	6.66	-39.64
CC1=CC=C(C)C(C2=NOC(C(=O)N3CCC(C4=N[N-]N=N4)CC3)C2)=C1	REAL300020186235	0	47	-1.0	-48.99	371.54	7.48	-41.51
CC1=CC=C(C)C(C2=NOC(C(=O)N3CCC(C4=NN=N[N-]4)CC3)C2)=C1	REAL300020186235	1	47	-1.0	-49.00	371.60	7.50	-41.50
CC1(C(=O)N2CCC(C3=N[N-]N=N3)CC2)CC(C2=CC=CC(Cl)=C2F)=NO1	REAL300020186236	0	44	-1.0	-45.93	373.08	6.23	-39.70
CC1(C(=O)N2CCC(C3=NN=N[N-]3)CC2)CC(C2=CC=CC(Cl)=C2F)=NO1	REAL300020186236	1	44	-1.0	-45.96	373.14	6.25	-39.71
CC1CCC2=C(C1)C(C(=O)N1CCC(C3=N[N-]N=N3)CC1)=NN2	REAL300020186237	0	43	-1.0	-45.56	332.25	4.47	-41.09
CC1CCC2=C(C1)C(C(=O)N1CCC(C3=NN=N[N-]3)CC1)=NN2	REAL300020186237	1	43	-1.0	-45.56	332.31	4.49	-41.07
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COC(=O)[C@H]1C2C=CC(CC2)[C@H]1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186239	0	47	-1.0	-45.51	347.53	6.87	-38.64
COC(=O)[C@H]1C2C=CC(CC2)[C@H]1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186239	1	47	-1.0	-45.53	347.59	6.88	-38.65
O=C(C1=CC=C(CN2C=C(Cl)C=N2)S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186240	0	40	-1.0	-46.23	361.53	5.76	-40.47
O=C(C1=CC=C(CN2C=C(Cl)C=N2)S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186240	1	40	-1.0	-46.21	361.47	5.74	-40.47
CCC1=NC(C)=C(CC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(C)=N1	REAL300020186241	0	46	-1.0	-46.74	362.61	5.03	-41.71
CCC1=NC(C)=C(CC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(C)=N1	REAL300020186241	1	46	-1.0	-46.77	362.67	5.04	-41.73
O=C(C1=NSC2=CC=CC=C21)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186242	0	35	-1.0	-43.58	298.09	5.03	-38.55
O=C(C1=NSC2=CC=CC=C21)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186242	1	35	-1.0	-43.57	298.04	5.01	-38.56
CC(C)(C)N1CCCC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C1=O	REAL300020186243	0	49	-1.0	-50.41	358.92	4.72	-45.69
CC(C)(C)N1CCCC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C1=O	REAL300020186243	1	49	-1.0	-50.44	358.98	4.74	-45.70
O=C(C1=CN=NN1C1=CC(Cl)=CC=C1Cl)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186244	0	39	-1.0	-44.27	350.62	5.29	-38.98
O=C(C1=CN=NN1C1=CC(Cl)=CC=C1Cl)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186244	1	39	-1.0	-44.24	350.57	5.28	-38.96
O=C(C[C@@H]1C[C@H]1C1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186245	0	43	-1.0	-44.17	343.07	7.60	-36.57
O=C(C[C@@H]1C[C@H]1C1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186245	1	43	-1.0	-44.21	343.12	7.61	-36.60
CC(=O)C1=CN=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020186246	0	37	-1.0	-45.06	305.38	3.02	-42.04
CC(=O)C1=CN=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020186246	1	37	-1.0	-45.08	305.43	3.03	-42.05
O=C(COCCC1=CC=C(Br)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186247	0	43	-1.0	-44.66	371.93	7.26	-37.40
O=C(COCCC1=CC=C(Br)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186247	1	43	-1.0	-44.70	371.98	7.28	-37.42
O=C(CCCC1=CC=C(C2CC2)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186248	0	49	-1.0	-44.05	386.78	9.14	-34.91
O=C(CCCC1=CC=C(C2CC2)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186248	1	49	-1.0	-44.06	386.83	9.16	-34.90
O=C(C1=CC2=C(CCOC2)NC1=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186249	0	41	-1.0	-57.69	332.56	1.51	-56.18
O=C(C1=CC2=C(CCOC2)NC1=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186249	1	41	-1.0	-57.66	332.62	1.53	-56.13
COC1=CC(OC)=NC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020186250	0	39	-1.0	-42.55	326.59	-0.46	-43.01
COC1=CC(OC)=NC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020186250	1	39	-1.0	-42.54	326.53	-0.48	-43.02
CC1(C(=O)N2CCC(C3=N[N-]N=N3)CC2)CCCS1(=O)=O	REAL300020186251	0	39	-1.0	-50.39	304.66	1.87	-48.52
CC1(C(=O)N2CCC(C3=NN=N[N-]3)CC2)CCCS1(=O)=O	REAL300020186251	1	39	-1.0	-50.43	304.72	1.89	-48.54
O=C(C1=NOC(CC2=CC=CC=C2)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186252	0	42	-1.0	-42.88	348.96	6.93	-35.95
O=C(C1=NOC(CC2=CC=CC=C2)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186252	1	42	-1.0	-42.84	349.02	6.94	-35.90
COC1=CC2=NC=C(C(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C2C=C1	REAL300020186253	0	42	-1.0	-45.43	339.18	3.99	-41.44
COC1=CC2=NC=C(C(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C2C=C1	REAL300020186253	1	42	-1.0	-45.40	339.12	3.98	-41.42
CC(C)C[C@H](C(=O)N1CCC(C2=N[N-]N=N2)CC1)N1CC2=CC=CC=C2C1=O	REAL300020186254	0	53	-1.0	-53.23	409.28	8.97	-44.26
CC(C)C[C@H](C(=O)N1CCC(C2=NN=N[N-]2)CC1)N1CC2=CC=CC=C2C1=O	REAL300020186254	1	53	-1.0	-53.25	409.34	8.99	-44.26
CC1=C(C2=CC=CC=C2)N(CC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(=O)S1	REAL300020186255	0	46	-1.0	-51.11	380.37	6.77	-44.34
CC1=C(C2=CC=CC=C2)N(CC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(=O)S1	REAL300020186255	1	46	-1.0	-51.13	380.42	6.79	-44.34
O=C(C1=NN2CCCC(=O)C2=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186256	0	39	-1.0	-48.45	317.29	3.50	-44.95
O=C(C1=NN2CCCC(=O)C2=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186256	1	39	-1.0	-48.42	317.35	3.51	-44.91
CC(=O)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1C	REAL300020186257	0	41	-1.0	-46.94	328.09	5.57	-41.37
CC(=O)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1C	REAL300020186257	1	41	-1.0	-46.94	328.15	5.58	-41.36
O=C(C1CC(C2=CC=CC=N2)=NO1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186258	0	40	-1.0	-47.82	330.98	4.24	-43.58
O=C(C1CC(C2=CC=CC=N2)=NO1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186258	1	40	-1.0	-47.80	330.92	4.22	-43.58
CC1=CC(Br)=C(CC(=O)N2CCC(C3=N[N-]N=N3)CC2)S1	REAL300020186259	0	36	-1.0	-42.09	326.25	5.92	-36.17
CC1=CC(Br)=C(CC(=O)N2CCC(C3=NN=N[N-]3)CC2)S1	REAL300020186259	1	36	-1.0	-42.11	326.30	5.93	-36.18
CCN1N=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1C1CC1	REAL300020186260	0	43	-1.0	-45.69	344.94	5.70	-39.99
CCN1N=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1C1CC1	REAL300020186260	1	43	-1.0	-45.75	344.99	5.71	-40.04
O=C(C1=CC(C2=CNC3=CC=CC=C23)=NN1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186261	0	44	-1.0	-46.88	362.28	4.85	-42.03
O=C(C1=CC(C2=CNC3=CC=CC=C23)=NN1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186261	1	44	-1.0	-46.88	362.34	4.87	-42.01
CC1=CC(OCC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1Br	REAL300020186262	0	40	-1.0	-44.95	343.06	6.55	-38.40
CC1=CC(OCC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1Br	REAL300020186262	1	40	-1.0	-44.94	343.12	6.57	-38.37
COC(=O)[C@@H]1CCCC[C@@H]1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186263	0	45	-1.0	-44.86	335.84	5.66	-39.20
COC(=O)[C@@H]1CCCC[C@@H]1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186263	1	45	-1.0	-44.84	335.90	5.67	-39.17
CC(CO)NS(=O)(=O)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020186264	0	48	-1.0	-46.59	396.88	-1.11	-47.70
CC(CO)NS(=O)(=O)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020186264	1	48	-1.0	-46.59	396.93	-1.09	-47.68
CC(O)CNS(=O)(=O)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020186265	0	48	-1.0	-47.29	400.35	-1.08	-48.37
CC(O)CNS(=O)(=O)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020186265	1	48	-1.0	-47.31	400.40	-1.07	-48.38
CC(C)(C)OC(=O)C1(C(=O)N2CCC(C3=N[N-]N=N3)CC2)CCOCC1	REAL300020186266	0	52	-1.0	-40.23	373.73	4.37	-35.86
CC(C)(C)OC(=O)C1(C(=O)N2CCC(C3=NN=N[N-]3)CC2)CCOCC1	REAL300020186266	1	52	-1.0	-40.23	373.79	4.39	-35.84
O=C(C1=CC=CC(NCC2=CN=CS2)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186267	0	44	-1.0	-45.77	371.70	4.31	-41.46
O=C(C1=CC=CC(NCC2=CN=CS2)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186267	1	44	-1.0	-45.79	371.64	4.29	-41.50
CCC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1Br	REAL300020186268	0	39	-1.0	-41.34	329.46	6.31	-35.03
CCC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1Br	REAL300020186268	1	39	-1.0	-41.38	329.52	6.33	-35.05
O=C(N1CCC(C2=NN=N[N-]2)CC1)C(F)(F)C1=NC=CC=C1Br	REAL300020186269	0	35	-1.0	-44.56	311.95	4.84	-39.72
O=C(N1CCC(C2=N[N-]N=N2)CC1)C(F)(F)C1=NC=CC=C1Br	REAL300020186269	1	35	-1.0	-44.54	311.90	4.83	-39.71
O=C(NC1=CC=CC(C(F)(F)F)=C1)C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186270	0	40	-1.0	-40.06	343.47	3.89	-36.17
O=C(NC1=CC=CC(C(F)(F)F)=C1)C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186270	1	40	-1.0	-40.05	343.53	3.90	-36.15
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C(C2=CC=CC(F)=C2)=NO1	REAL300020186271	0	42	-1.0	-42.17	358.69	6.54	-35.63
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C(C2=CC=CC(F)=C2)=NO1	REAL300020186271	1	42	-1.0	-42.18	358.64	6.52	-35.66
COC1=CC=CC(C(F)(F)C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020186272	0	40	-1.0	-42.07	331.39	4.70	-37.37
COC1=CC=CC(C(F)(F)C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020186272	1	40	-1.0	-42.09	331.45	4.72	-37.37
O=C(C1=CC=CN(CC(F)(F)F)C1=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186273	0	39	-1.0	-62.30	337.39	4.66	-57.64
O=C(C1=CC=CN(CC(F)(F)F)C1=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186273	1	39	-1.0	-62.27	337.45	4.68	-57.59
COC(C(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=C(Br)S1	REAL300020186274	0	37	-1.0	-43.13	333.56	5.07	-38.06
COC(C(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=C(Br)S1	REAL300020186274	1	37	-1.0	-43.13	333.62	5.09	-38.04
CC1=CC(C#N)=CC(C)=C1CC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186275	0	43	-1.0	-44.48	349.46	6.88	-37.60
CC1=CC(C#N)=CC(C)=C1CC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186275	1	43	-1.0	-44.51	349.51	6.89	-37.62
O=C(CCN1SC2=CC=CC=C2C1=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186276	0	42	-1.0	-47.04	358.67	5.86	-41.18
O=C(CCN1SC2=CC=CC=C2C1=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186276	1	42	-1.0	-47.06	358.72	5.87	-41.19
CC1=CC(C)=NC(NC2=CC=C(O)C(C(=O)N3CCC(C4=N[N-]N=N4)CC3)=C2)=N1	REAL300020186277	0	50	-1.0	-47.68	406.29	5.64	-42.04
CC1=CC(C)=NC(NC2=CC=C(O)C(C(=O)N3CCC(C4=NN=N[N-]4)CC3)=C2)=N1	REAL300020186277	1	50	-1.0	-47.70	406.35	5.66	-42.04
O=C(C(F)=CC1=CC=C(F)C(C(F)(F)F)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186278	0	40	-1.0	-40.22	350.32	6.93	-33.29
O=C(C(F)=CC1=CC=C(F)C(C(F)(F)F)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186278	1	40	-1.0	-40.27	350.38	6.95	-33.32
NS(=O)(=O)C1=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=CS1	REAL300020186279	0	35	-1.0	-56.81	312.89	-0.34	-57.15
NS(=O)(=O)C1=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=CS1	REAL300020186279	1	35	-1.0	-56.81	312.94	-0.33	-57.14
O=C(CCC1=CC=C([N+](=O)[O-])C=C1Cl)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186280	0	41	-1.0	-45.69	358.07	7.35	-38.34
O=C(CCC1=CC=C([N+](=O)[O-])C=C1Cl)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186280	1	41	-1.0	-45.67	358.13	7.36	-38.31
CC1=NNC2=C(C(=O)N3CCC(C4=N[N-]N=N4)CC3)C=CC=C12	REAL300020186281	0	39	-1.0	-48.71	319.77	3.76	-44.95
CC1=NNC2=C(C(=O)N3CCC(C4=NN=N[N-]4)CC3)C=CC=C12	REAL300020186281	1	39	-1.0	-48.72	319.83	3.78	-44.94
CC1=CC=CN=C1OC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020186282	0	46	-1.0	-46.46	376.74	5.48	-40.98
CC1=CC=CN=C1OC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020186282	1	46	-1.0	-46.39	376.68	5.46	-40.93
O=C(C1CC2=CC(F)=CC=C2NC1=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186283	0	41	-1.0	-44.97	336.52	3.64	-41.33
O=C(C1CC2=CC(F)=CC=C2NC1=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186283	1	41	-1.0	-44.95	336.58	3.65	-41.30
O=C(C1CCOC2(CCCC2)C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186284	0	47	-1.0	-41.99	345.40	4.91	-37.08
O=C(C1CCOC2(CCCC2)C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186284	1	47	-1.0	-42.00	345.46	4.93	-37.07
CCS(=O)(=O)C1=CC=CC=C1CC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186285	0	45	-1.0	-52.80	363.81	4.39	-48.41
CCS(=O)(=O)C1=CC=CC=C1CC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186285	1	45	-1.0	-52.75	363.87	4.40	-48.35
C[N@H+](CC(=O)N1CCC(C2=NN=N[N-]2)CC1)[C@@H]1CCC[C@H]1O	REAL300020186286	0	46	0.0	-56.12	340.80	2.56	-53.56
C[N@@H+](CC(=O)N1CCC(C2=NN=N[N-]2)CC1)[C@@H]1CCC[C@H]1O	REAL300020186286	1	46	0.0	-59.22	341.31	2.36	-56.86
CN(CC(=O)N1CCC(C2=NN=N[N-]2)CC1)[C@@H]1CCC[C@H]1O	REAL300020186286	1	45	-1.0	-41.94	339.18	0.17	-41.77
CN1CCN(CC2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)CC3)S2)CC1	REAL300020186287	0	50	-1.0	-42.20	395.05	2.57	-39.63
CN1CCN(CC2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)CC3)S2)CC1	REAL300020186287	1	50	-1.0	-42.25	395.11	2.58	-39.67
C[NH+]1CCN(CC2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)CC3)S2)CC1	REAL300020186287	1	51	0.0	-64.86	398.04	4.95	-59.91
COC1=NSC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1Br	REAL300020186288	0	33	-1.0	-41.15	307.43	1.01	-40.14
COC1=NSC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1Br	REAL300020186288	1	33	-1.0	-41.11	307.38	1.00	-40.11
CC(C)(CO)C1=NC2=CC(C(=O)N3CCC(C4=N[N-]N=N4)CC3)=CC=C2N1	REAL300020186289	0	49	-1.0	-45.66	387.27	2.49	-43.17
CC(C)(CO)C1=NC2=CC(C(=O)N3CCC(C4=NN=N[N-]4)CC3)=CC=C2N1	REAL300020186289	1	49	-1.0	-45.70	387.32	2.51	-43.19
O=C(CC1=NN=C(C2CC2)N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186290	0	39	-1.0	-55.55	320.32	4.24	-51.31
O=C(CC1=NN=C(C2CC2)N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186290	1	39	-1.0	-55.60	320.38	4.25	-51.35
O=C(CN1N=NC2=CC=CC=C21)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186291	0	38	-1.0	-49.25	318.08	3.51	-45.74
O=C(CN1N=NC2=CC=CC=C21)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186291	1	38	-1.0	-49.23	318.02	3.49	-45.74
CCN(CC(C)C)C1=NC(CC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CS1	REAL300020186292	0	52	-1.0	-47.44	412.53	6.92	-40.52
CCN(CC(C)C)C1=NC(CC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CS1	REAL300020186292	1	52	-1.0	-47.43	412.59	6.94	-40.49
CC1=CC=CC(C2=CC=CC(C(=O)N3CCC(C4=N[N-]N=N4)CC3)=C2)=C1	REAL300020186293	0	46	-1.0	-45.77	366.09	8.52	-37.25
CC1=CC=CC(C2=CC=CC(C(=O)N3CCC(C4=NN=N[N-]4)CC3)=C2)=C1	REAL300020186293	1	46	-1.0	-45.77	366.14	8.54	-37.23
CC(C)N1C=C(Br)C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020186294	0	39	-1.0	-44.56	331.86	4.79	-39.77
CC(C)N1C=C(Br)C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020186294	1	39	-1.0	-44.55	331.80	4.78	-39.77
CC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC(C)=C1C#N	REAL300020186295	0	40	-1.0	-43.10	329.01	5.81	-37.29
CC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC(C)=C1C#N	REAL300020186295	1	40	-1.0	-43.08	329.07	5.82	-37.26
CCCCCC(=O)NCC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186296	0	45	-1.0	-42.80	358.15	3.26	-39.54
CCCCCC(=O)NCC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186296	1	45	-1.0	-42.86	358.21	3.27	-39.59
CN1C=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C(I)=N1	REAL300020186297	0	33	-1.0	-47.82	300.08	3.13	-44.69
CN1C=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C(I)=N1	REAL300020186297	1	33	-1.0	-47.80	300.02	3.11	-44.69
CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CC(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020186298	0	56	-1.0	-47.13	423.91	4.97	-42.16
CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CC(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020186298	1	56	-1.0	-47.15	423.97	4.98	-42.17
CCNC1=NC(C)=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)S1	REAL300020186299	0	40	-1.0	-43.32	332.50	3.07	-40.25
CCNC1=NC(C)=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)S1	REAL300020186299	1	40	-1.0	-43.28	332.56	3.09	-40.19
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)SC(NC2CC2)=N1	REAL300020186300	0	41	-1.0	-42.79	343.18	3.97	-38.82
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)SC(NC2CC2)=N1	REAL300020186300	1	41	-1.0	-42.85	343.24	3.99	-38.86
C=CCNC1=NC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)S1	REAL300020186301	0	38	-1.0	-43.31	326.14	2.98	-40.33
C=CCNC1=NC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)S1	REAL300020186301	1	38	-1.0	-43.31	326.09	2.96	-40.35
COC1=C2C=C(C(=O)N3CCC(C4=N[N-]N=N4)CC3)NC2=CC=C1	REAL300020186302	0	41	-1.0	-45.99	330.34	4.19	-41.80
COC1=C2C=C(C(=O)N3CCC(C4=NN=N[N-]4)CC3)NC2=CC=C1	REAL300020186302	1	41	-1.0	-46.00	330.40	4.21	-41.79
CC1=CC(C)=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C(C)=N1	REAL300020186303	0	41	-1.0	-43.58	330.16	4.49	-39.09
CC1=CC(C)=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C(C)=N1	REAL300020186303	1	41	-1.0	-43.63	330.22	4.51	-39.12
CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186304	0	55	-1.0	-41.77	406.45	3.91	-37.86
CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186304	1	55	-1.0	-41.80	406.51	3.93	-37.87
CC1=CC=CC=C1C1=NOC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020186305	0	44	-1.0	-46.10	350.46	6.83	-39.27
CC1=CC=CC=C1C1=NOC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020186305	1	44	-1.0	-46.11	350.52	6.85	-39.26
O=C(CC1=CC(Br)=CC=C1Cl)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186306	0	36	-1.0	-43.04	329.84	6.48	-36.56
O=C(CC1=CC(Br)=CC=C1Cl)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186306	1	36	-1.0	-43.05	329.90	6.50	-36.55
CC1=CC(C)=C(CC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(=O)N1	REAL300020186307	0	42	-1.0	-56.05	336.95	3.51	-52.54
CC1=CC(C)=C(CC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(=O)N1	REAL300020186307	1	42	-1.0	-56.07	337.01	3.53	-52.54
CNC(=O)NC1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020186308	0	42	-1.0	-56.77	339.63	1.95	-54.82
CNC(=O)NC1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020186308	1	42	-1.0	-56.80	339.69	1.96	-54.84
CC(C)[C@H](C(=O)N1CCC(C2=N[N-]N=N2)CC1)N1CC2=CC=CC=C2C1=O	REAL300020186309	0	50	-1.0	-53.42	382.74	8.39	-45.03
CC(C)[C@H](C(=O)N1CCC(C2=NN=N[N-]2)CC1)N1CC2=CC=CC=C2C1=O	REAL300020186309	1	50	-1.0	-53.40	382.80	8.41	-44.99
NC1=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C(Cl)C(F)=C1[N+](=O)[O-]	REAL300020186310	0	37	-1.0	-41.25	335.38	3.98	-37.27
NC1=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C(Cl)C(F)=C1[N+](=O)[O-]	REAL300020186310	1	37	-1.0	-41.28	335.44	3.99	-37.29
CC1=CSC(CNC2=CC=CC(C(=O)N3CCC(C4=NN=N[N-]4)CC3)=C2)=N1	REAL300020186311	0	47	-1.0	-46.11	393.53	4.78	-41.33
CC1=CSC(CNC2=CC=CC(C(=O)N3CCC(C4=N[N-]N=N4)CC3)=C2)=N1	REAL300020186311	1	47	-1.0	-46.10	393.48	4.77	-41.33
CC(C)(NC1=CC=CC=C1)C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186312	0	44	-1.0	-41.63	331.97	4.88	-36.75
CC(C)(NC1=CC=CC=C1)C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186312	1	44	-1.0	-41.55	332.02	4.89	-36.66
CN1C=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C(C2CCCC2)=N1	REAL300020186313	0	46	-1.0	-47.37	358.24	5.36	-42.01
CN1C=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C(C2CCCC2)=N1	REAL300020186313	1	46	-1.0	-47.33	358.29	5.37	-41.96
O=C(N1CCC(C2=N[N-]N=N2)CC1)C1(CCCOCC2=CC=CC=C2)CC1	REAL300020186314	0	53	-1.0	-46.21	420.60	8.07	-38.14
O=C(N1CCC(C2=NN=N[N-]2)CC1)C1(CCCOCC2=CC=CC=C2)CC1	REAL300020186314	1	53	-1.0	-46.24	420.66	8.08	-38.16
CC(C)(C)OC(=O)N1CCC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1	REAL300020186315	0	54	-1.0	-45.52	408.83	6.18	-39.34
CC(C)(C)OC(=O)N1CCC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020186315	1	54	-1.0	-45.55	408.88	6.19	-39.36
CC(C)(C)OC(=O)N1CCC2=C(C(=O)N3CCC(C4=NN=N[N-]4)CC3)C=CN=C21	REAL300020186316	0	53	-1.0	-46.82	416.05	6.79	-40.03
CC(C)(C)OC(=O)N1CCC2=C(C(=O)N3CCC(C4=N[N-]N=N4)CC3)C=CN=C21	REAL300020186316	1	53	-1.0	-46.80	416.00	6.78	-40.02
CC(C)(C)OC(=O)N1CCC2=C(C(=O)N3CCC(C4=N[N-]N=N4)CC3)C=CC=C21	REAL300020186317	0	54	-1.0	-44.82	418.43	7.30	-37.52
CC(C)(C)OC(=O)N1CCC2=C(C(=O)N3CCC(C4=NN=N[N-]4)CC3)C=CC=C21	REAL300020186317	1	54	-1.0	-44.84	418.48	7.31	-37.53
CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@@H](C(=O)N1CCC(C3=N[N-]N=N3)CC1)C2	REAL300020186318	0	54	-1.0	-42.78	402.90	6.02	-36.76
CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@@H](C(=O)N1CCC(C3=NN=N[N-]3)CC1)C2	REAL300020186318	1	54	-1.0	-42.84	402.95	6.04	-36.80
CC(C)(C)OC(=O)N1CCC[C@@H]2C[C@@]21C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186319	0	54	-1.0	-44.45	399.33	6.12	-38.33
CC(C)(C)OC(=O)N1CCC[C@@H]2C[C@@]21C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186319	1	54	-1.0	-44.51	399.39	6.13	-38.38
CCOC(=O)N1CSCC1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186320	0	42	-1.0	-50.77	347.55	3.67	-47.10
CCOC(=O)N1CSCC1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186320	1	42	-1.0	-50.77	347.61	3.69	-47.08
CN1N=CC(NC(=O)OC(C)(C)C)=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186321	0	50	-1.0	-43.15	397.75	2.49	-40.66
CN1N=CC(NC(=O)OC(C)(C)C)=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186321	1	50	-1.0	-43.16	397.81	2.50	-40.66
CC(C)CC(C)(CNC(=O)OC(C)(C)C)C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186322	0	61	-1.0	-45.46	435.17	4.88	-40.58
CC(C)CC(C)(CNC(=O)OC(C)(C)C)C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186322	1	61	-1.0	-45.53	435.23	4.90	-40.63
CC1CCC(C(=O)CCC(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1	REAL300020186323	0	50	-1.0	-41.90	375.19	6.99	-34.91
CC1CCC(C(=O)CCC(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020186323	1	50	-1.0	-41.92	375.25	7.00	-34.92
O=C(C1=CC=C(N2CCCCCC2)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186324	0	51	-1.0	-43.29	373.91	6.03	-37.26
O=C(C1=CC=C(N2CCCCCC2)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186324	1	51	-1.0	-43.28	373.97	6.04	-37.24
CC(SC1=CC=C(F)C=C1)C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186325	0	40	-1.0	-42.08	335.95	6.38	-35.70
CC(SC1=CC=C(F)C=C1)C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186325	1	40	-1.0	-42.06	336.01	6.40	-35.66
O=C(C1=C(C(F)F)SC=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186326	0	33	-1.0	-48.69	290.86	4.45	-44.24
O=C(C1=C(C(F)F)SC=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186326	1	33	-1.0	-48.71	290.92	4.47	-44.24
O=C(C[C@@H]1C[C@H]1CC1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186327	0	46	-1.0	-42.80	368.34	8.48	-34.32
O=C(C[C@@H]1C[C@H]1CC1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186327	1	46	-1.0	-42.76	368.40	8.50	-34.26
O=C(C1=CC=C(CN2C=CN=N2)O1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186328	0	39	-1.0	-46.91	329.43	3.33	-43.58
O=C(C1=CC=C(CN2C=CN=N2)O1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186328	1	39	-1.0	-46.92	329.38	3.32	-43.60
O=C(C1=CN(C2=CC=CC=N2)N=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186329	0	39	-1.0	-48.15	325.62	4.91	-43.24
O=C(C1=CN(C2=CC=CC=N2)N=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186329	1	39	-1.0	-48.15	325.56	4.89	-43.26
CC1=CC=C(CC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1Cl	REAL300020186330	0	39	-1.0	-43.13	330.16	6.56	-36.57
CC1=CC=C(CC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1Cl	REAL300020186330	1	39	-1.0	-43.12	330.22	6.57	-36.55
O=C(CC1=CC=C(O)C(O)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186331	0	38	-1.0	-48.87	316.47	0.53	-48.34
O=C(CC1=CC=C(O)C(O)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186331	1	38	-1.0	-48.92	316.52	0.55	-48.37
CC(C)C[N@@H+]1CCCC1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186332	0	48	0.0	-58.58	347.99	5.77	-52.81
CC(C)C[N@H+]1CCCC1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186332	1	48	0.0	-56.95	351.41	6.16	-50.79
O=C(C[NH+]1CCC(CO)CC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186333	0	46	0.0	-61.83	344.00	2.35	-59.48
O=C(CN1CCC(CO)CC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186333	1	45	-1.0	-43.33	341.77	0.13	-43.20
O=C(CN1CCC(CO)CC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186333	1	45	-1.0	-43.37	341.83	0.15	-43.22
O=C(CC1=CC=C(Cl)C([N+](=O)[O-])=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186334	0	38	-1.0	-49.99	335.36	6.51	-43.48
O=C(CC1=CC=C(Cl)C([N+](=O)[O-])=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186334	1	38	-1.0	-50.03	335.42	6.53	-43.50
O=C(C1=CS(=O)(=O)CCC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186335	0	37	-1.0	-56.97	305.92	0.62	-56.35
O=C(C1=CS(=O)(=O)CCC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186335	1	37	-1.0	-57.01	305.97	0.63	-56.38
O=CC1=CC=C(C2=CC=C(O)C(C(=O)N3CCC(C4=N[N-]N=N4)CC3)=C2)O1	REAL300020186336	0	43	-1.0	-53.61	364.75	4.06	-49.55
O=CC1=CC=C(C2=CC=C(O)C(C(=O)N3CCC(C4=NN=N[N-]4)CC3)=C2)O1	REAL300020186336	1	43	-1.0	-53.64	364.80	4.07	-49.57
O=CC1=CC=C(C2=CC=C([O-])C(C(=O)N3CCC(C4=N[N-]N=N4)CC3)=C2)O1	REAL300020186336	1	42	-2.0	-109.70	362.22	4.93	-104.77
O=CC1=CC=C(C2=CC=C([O-])C(C(=O)N3CCC(C4=NN=N[N-]4)CC3)=C2)O1	REAL300020186336	1	42	-2.0	-109.68	362.28	4.95	-104.73
O=C(C1=CC=NC(Cl)=C1Br)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186337	0	32	-1.0	-45.10	299.49	3.64	-41.46
O=C(C1=CC=NC(Cl)=C1Br)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186337	1	32	-1.0	-45.09	299.43	3.62	-41.47
CC1CN2CC[N@@H+]1CC2C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186338	0	45	0.0	-58.68	319.39	1.73	-56.95
CC1CN2CC[N@H+]1CC2C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186338	1	45	0.0	-68.62	318.21	1.70	-66.92
CC1CN2CC[N@@H+]1CC2C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186338	1	45	0.0	-58.72	319.45	1.74	-56.98
CC1CN2CC[N@H+]1CC2C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186338	1	45	0.0	-68.62	318.27	1.71	-66.91
CC1CN2CCN1CC2C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186338	1	44	-1.0	-41.75	315.03	-0.71	-42.46
CC1CN2CCN1CC2C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186338	1	44	-1.0	-41.77	315.09	-0.70	-42.47
O=C(C1=NN2CCCC(O)C2=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186339	0	41	-1.0	-46.16	324.99	1.14	-45.02
O=C(C1=NN2CCCC(O)C2=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186339	1	41	-1.0	-46.21	325.05	1.16	-45.05
O=C(C1=C(F)N2C=C(Br)C=CC2=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186340	0	36	-1.0	-44.77	324.72	6.38	-38.39
O=C(C1=C(F)N2C=C(Br)C=CC2=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186340	1	36	-1.0	-44.77	324.66	6.37	-38.40
O=C(C1=C2N=CNC2=CC=C1F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186341	0	36	-1.0	-53.32	306.71	4.29	-49.03
O=C(C1=C2N=CNC2=CC=C1F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186341	1	36	-1.0	-53.31	306.77	4.31	-49.00
O=C(C1=C2NC=NC2=CC=C1F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186341	1	36	-1.0	-47.35	306.69	4.31	-43.04
O=C(C1=C2NC=NC2=CC=C1F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186341	1	36	-1.0	-47.41	306.75	4.32	-43.09
O=C(C1=NC=C(C(F)(F)F)C=C1Cl)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186342	0	35	-1.0	-41.12	315.84	5.02	-36.10
O=C(C1=NC=C(C(F)(F)F)C=C1Cl)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186342	1	35	-1.0	-41.13	315.78	5.01	-36.12
O=C(C1=CC2=NC=CN=C2C(Br)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186343	0	37	-1.0	-45.69	327.14	3.63	-42.06
O=C(C1=CC2=NC=CN=C2C(Br)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186343	1	37	-1.0	-45.69	327.08	3.62	-42.07
CC1=CC(C)=NN1CCCC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186344	0	45	-1.0	-50.18	360.28	5.30	-44.88
CC1=CC(C)=NN1CCCC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186344	1	45	-1.0	-50.22	360.33	5.31	-44.91
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CC1=C(Br)C=CC(F)=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186346	0	36	-1.0	-43.60	318.09	5.70	-37.90
CC1=C(Br)C=CC(F)=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186346	1	36	-1.0	-43.57	318.15	5.72	-37.85
CC1(CC(=O)N2CCC(C3=N[N-]N=N3)CC2)CCS(=O)(=O)N1	REAL300020186347	0	41	-1.0	-54.78	325.92	-0.39	-55.17
CC1(CC(=O)N2CCC(C3=NN=N[N-]3)CC2)CCS(=O)(=O)N1	REAL300020186347	1	41	-1.0	-54.82	325.98	-0.37	-55.19
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CC1=CC=CN2C=C(C(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C12	REAL300020186351	0	40	-1.0	-45.55	322.10	6.72	-38.83
CC1=CC=CN2C=C(C(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C12	REAL300020186351	1	40	-1.0	-45.60	322.16	6.73	-38.87
COC1=CC=CC(CC(C)CC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020186352	0	49	-1.0	-45.62	379.75	6.76	-38.86
COC1=CC=CC(CC(C)CC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020186352	1	49	-1.0	-45.61	379.81	6.78	-38.83
CC(C)C1CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)CCO1	REAL300020186353	0	46	-1.0	-41.43	334.31	4.40	-37.03
CC(C)C1CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)CCO1	REAL300020186353	1	46	-1.0	-41.42	334.37	4.42	-37.00
O=C(C1=CC=CC2=C1CCOC2)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186354	0	41	-1.0	-44.62	322.64	4.47	-40.15
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COC1(C(=O)N2CCC(C3=N[N-]N=N3)CC2)CS(=O)(=O)C1	REAL300020186356	0	37	-1.0	-46.78	303.60	-0.25	-47.03
COC1(C(=O)N2CCC(C3=NN=N[N-]3)CC2)CS(=O)(=O)C1	REAL300020186356	1	37	-1.0	-46.79	303.65	-0.24	-47.03
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O=C(CC1CCC(C2CC2)O1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186357	1	44	-1.0	-46.72	343.54	5.83	-40.89
O=C([C@H]1CC[C@H](NC2=CN=CC=N2)CC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186358	0	49	-1.0	-44.73	377.81	3.92	-40.81
O=C([C@H]1CC[C@H](NC2=CN=CC=N2)CC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186358	1	49	-1.0	-44.71	377.75	3.90	-40.81
COC1=CC=CC(CC(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020186359	0	39	-1.0	-49.31	320.30	2.44	-46.87
COC1=CC=CC(CC(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020186359	1	39	-1.0	-49.31	320.35	2.46	-46.85
CC(C)(C1=NN=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)O1)S(C)(=O)=O	REAL300020186360	0	43	-1.0	-57.37	359.77	-2.94	-60.31
CC(C)(C1=NN=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)O1)S(C)(=O)=O	REAL300020186360	1	43	-1.0	-57.37	359.72	-2.95	-60.32
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C[NH+](C)CCOC1=CC=C(CCC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020186364	0	55	0.0	-67.34	424.34	7.94	-59.40
C[NH+](C)CCOC1=CC=C(CCC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020186364	1	55	0.0	-67.36	424.40	7.96	-59.40
COC(=O)C1=CC=CN(CC(=O)N2CCC(C3=N[N-]N=N3)CC2)C1=O	REAL300020186365	0	42	-1.0	-61.93	351.76	5.53	-56.40
COC(=O)C1=CC=CN(CC(=O)N2CCC(C3=NN=N[N-]3)CC2)C1=O	REAL300020186365	1	42	-1.0	-61.94	351.82	5.54	-56.40
O=C(C1CCCN(CC(F)(F)F)C1=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186366	0	43	-1.0	-47.78	347.55	5.23	-42.55
O=C(C1CCCN(CC(F)(F)F)C1=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186366	1	43	-1.0	-47.78	347.60	5.25	-42.53
O=CC1=CNC2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C12	REAL300020186367	0	39	-1.0	-61.65	322.40	4.16	-57.49
O=CC1=CNC2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C12	REAL300020186367	1	39	-1.0	-61.67	322.46	4.18	-57.49
COC(=O)C1=CC(F)=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020186368	0	39	-1.0	-45.20	331.11	5.14	-40.06
COC(=O)C1=CC(F)=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020186368	1	39	-1.0	-45.26	331.17	5.16	-40.10
COC1=C(Cl)C=C([O-])C(Cl)=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186369	0	37	-2.0	-89.40	340.16	2.78	-86.62
COC1=C(Cl)C=C([O-])C(Cl)=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186369	1	37	-2.0	-89.39	340.22	2.80	-86.59
COC1=C(Cl)C=C(O)C(Cl)=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186369	1	38	-1.0	-44.51	343.72	2.04	-42.47
COC1=C(Cl)C=C(O)C(Cl)=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186369	1	38	-1.0	-44.51	343.78	2.05	-42.46
O=CC1=CC=CN1C1=CC=C(CC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020186370	0	46	-1.0	-49.65	377.53	7.99	-41.66
O=CC1=CC=CN1C1=CC=C(CC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020186370	1	46	-1.0	-49.70	377.59	8.00	-41.70
C=CC1(CC(=O)N2CCC(C3=N[N-]N=N3)CC2)CN(C(=O)OC(C)(C)C)C1	REAL300020186371	0	54	-1.0	-44.99	413.91	5.73	-39.26
C=CC1(CC(=O)N2CCC(C3=NN=N[N-]3)CC2)CN(C(=O)OC(C)(C)C)C1	REAL300020186371	1	54	-1.0	-45.02	413.97	5.75	-39.27
CC(C)C[NH+]1CCC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1	REAL300020186372	0	51	0.0	-65.29	371.03	6.82	-58.47
CC(C)C[NH+]1CCC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020186372	1	51	0.0	-65.32	371.08	6.84	-58.48
O=C(C1CC2(C1)CS(=O)(=O)C2)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186373	0	40	-1.0	-49.96	328.03	1.42	-48.54
O=C(C1CC2(C1)CS(=O)(=O)C2)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186373	1	40	-1.0	-49.96	328.08	1.43	-48.53
NS(=O)(=O)C1=C(Cl)OC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020186374	0	35	-1.0	-43.67	323.74	-1.82	-45.49
NS(=O)(=O)C1=C(Cl)OC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020186374	1	35	-1.0	-43.67	323.80	-1.81	-45.48
O=C(C1=CN(C(F)(F)CO)N=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186375	0	36	-1.0	-44.41	311.58	-0.98	-45.39
O=C(C1=CN(C(F)(F)CO)N=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186375	1	36	-1.0	-44.40	311.52	-0.99	-45.39
COC1=NSC(OC)=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186376	0	37	-1.0	-44.39	323.68	-0.04	-44.43
COC1=NSC(OC)=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186376	1	37	-1.0	-44.35	323.63	-0.06	-44.41
CN1N=C(C(F)(F)F)C2=CC(C(=O)N3CCC(C4=NN=N[N-]4)CC3)=CN=C21	REAL300020186377	0	41	-1.0	-43.79	354.45	4.41	-39.38
CN1N=C(C(F)(F)F)C2=CC(C(=O)N3CCC(C4=N[N-]N=N4)CC3)=CN=C21	REAL300020186377	1	41	-1.0	-43.78	354.40	4.40	-39.38
O=C(N1CCC(C2=N[N-]N=N2)CC1)C1(CCC2=CC=CC=C2)CC1	REAL300020186378	0	46	-1.0	-43.40	362.77	7.88	-35.52
O=C(N1CCC(C2=NN=N[N-]2)CC1)C1(CCC2=CC=CC=C2)CC1	REAL300020186378	1	46	-1.0	-43.41	362.83	7.89	-35.52
O=C(C1=CC=CC=C1S(=O)C(F)(F)F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186379	0	38	-1.0	-57.25	331.40	5.09	-52.16
O=C(C1=CC=CC=C1S(=O)C(F)(F)F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186379	1	38	-1.0	-57.27	331.45	5.11	-52.16
CC1(C(=O)N2CCC(C3=N[N-]N=N3)CC2)CCOC2=CC=CC=C21	REAL300020186380	0	44	-1.0	-41.41	329.59	4.87	-36.54
CC1(C(=O)N2CCC(C3=NN=N[N-]3)CC2)CCOC2=CC=CC=C21	REAL300020186380	1	44	-1.0	-41.43	329.65	4.89	-36.54
O=C(N1CCC(C2=N[N-]N=N2)CC1)C1(C2=CC=CC=C2)CCCO1	REAL300020186381	0	44	-1.0	-41.19	340.43	5.81	-35.38
O=C(N1CCC(C2=NN=N[N-]2)CC1)C1(C2=CC=CC=C2)CCCO1	REAL300020186381	1	44	-1.0	-41.18	340.48	5.82	-35.36
CC1=C(C)C2=C(CCC(C)(C(=O)N3CCC(C4=N[N-]N=N4)CC3)O2)C(C)=C1O	REAL300020186382	0	54	-1.0	-41.15	395.94	4.88	-36.27
CC1=C(C)C2=C(CCC(C)(C(=O)N3CCC(C4=NN=N[N-]4)CC3)O2)C(C)=C1O	REAL300020186382	1	54	-1.0	-41.22	396.00	4.90	-36.32
COC1=CC(C=O)=CC(Cl)=C1OC(C)C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186383	0	46	-1.0	-48.41	387.68	6.02	-42.39
COC1=CC(C=O)=CC(Cl)=C1OC(C)C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186383	1	46	-1.0	-48.40	387.73	6.03	-42.37
O=C(C=CC1=CC=C(C2=CC=CC=C2Cl)S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186384	0	44	-1.0	-43.56	388.64	9.24	-34.32
O=C(C=CC1=CC=C(C2=CC=CC=C2Cl)S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186384	1	44	-1.0	-43.57	388.70	9.25	-34.32
O=C(C1=C2CCCNC2=NN1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186385	0	39	-1.0	-43.39	308.64	1.95	-41.44
O=C(C1=C2CCCNC2=NN1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186385	1	39	-1.0	-43.42	308.69	1.97	-41.45
CC1=C(CC(=O)N2CCC(C3=N[N-]N=N3)CC2)SC(CS(C)(=O)=O)=N1	REAL300020186386	0	44	-1.0	-56.50	384.58	1.47	-55.03
CC1=C(CC(=O)N2CCC(C3=NN=N[N-]3)CC2)SC(CS(C)(=O)=O)=N1	REAL300020186386	1	44	-1.0	-56.50	384.64	1.49	-55.01
O=C(C1=CC(Cl)=CC(Cl)=C1[O-])N1CCC(C2=N[N-]N=N2)CC1	REAL300020186387	0	33	-2.0	-94.65	311.29	3.82	-90.83
O=C(C1=CC(Cl)=CC(Cl)=C1[O-])N1CCC(C2=NN=N[N-]2)CC1	REAL300020186387	1	33	-2.0	-94.61	311.35	3.83	-90.78
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C2=CC=CC=C2NC1=O	REAL300020186388	0	42	-1.0	-44.06	343.30	4.15	-39.91
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C2=CC=CC=C2NC1=O	REAL300020186388	1	42	-1.0	-44.06	343.36	4.17	-39.89
CC1(O)CCC(CC(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1	REAL300020186389	0	46	-1.0	-42.01	344.04	3.17	-38.84
CC1(O)CCC(CC(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020186389	1	46	-1.0	-42.00	344.10	3.18	-38.82
O=C(C1=C(Cl)C=CN=C1F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186390	0	32	-1.0	-46.69	291.41	3.23	-43.46
O=C(C1=C(Cl)C=CN=C1F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186390	1	32	-1.0	-46.68	291.35	3.21	-43.47
CC1=CC(C=O)=C(O)C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020186391	0	39	-1.0	-52.75	324.59	3.73	-49.02
CC1=CC(C=O)=C(O)C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020186391	1	39	-1.0	-52.75	324.65	3.74	-49.01
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COC(=O)C1=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=CS1	REAL300020186392	1	36	-1.0	-51.88	312.84	5.00	-46.88
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COC1=CC=C2NC=CC2=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186398	1	41	-1.0	-49.90	334.78	3.96	-45.94
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CC1CC2CCC(C(=O)N3CCC(C4=N[N-]N=N4)CC3)C[N@H+]2C1	REAL300020186403	1	49	0.0	-59.58	349.43	6.40	-53.18
CC1CC2CCC(C(=O)N3CCC(C4=NN=N[N-]4)CC3)C[N@@H+]2C1	REAL300020186403	1	49	0.0	-54.15	349.24	6.47	-47.68
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COC(=O)NC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1F	REAL300020186414	0	41	-1.0	-50.15	340.22	2.70	-47.45
COC(=O)NC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1F	REAL300020186414	1	41	-1.0	-50.17	340.28	2.72	-47.45
COC(=O)C1CCCN(CC(=O)N2CCC(C3=N[N-]N=N3)CC2)C1=O	REAL300020186415	0	46	-1.0	-51.19	367.42	4.99	-46.20
COC(=O)C1CCCN(CC(=O)N2CCC(C3=NN=N[N-]3)CC2)C1=O	REAL300020186415	1	46	-1.0	-51.20	367.48	5.00	-46.20
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CC1=C(Br)OC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020186416	1	33	-1.0	-39.91	294.01	4.18	-35.73
COC1=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=CN=C1F	REAL300020186417	0	36	-1.0	-46.26	304.75	2.18	-44.08
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COC(=O)NC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C(C)=C1	REAL300020186418	0	44	-1.0	-45.13	355.70	3.25	-41.88
COC(=O)NC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C(C)=C1	REAL300020186418	1	44	-1.0	-45.10	355.76	3.26	-41.84
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CC1=C(Br)C=C(F)C=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186420	0	36	-1.0	-39.95	313.27	5.64	-34.31
CC1=C(Br)C=C(F)C=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186420	1	36	-1.0	-39.93	313.32	5.66	-34.27
CC1=CC(Cl)=NC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020186421	0	35	-1.0	-42.52	302.78	4.60	-37.92
CC1=CC(Cl)=NC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020186421	1	35	-1.0	-42.56	302.83	4.61	-37.95
CNC(=O)NC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020186422	0	42	-1.0	-51.85	339.09	1.93	-49.92
CNC(=O)NC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020186422	1	42	-1.0	-51.84	339.15	1.95	-49.89
CCOC(=O)NC1=CC=C(Cl)C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020186423	0	44	-1.0	-46.44	374.37	4.09	-42.35
CCOC(=O)NC1=CC=C(Cl)C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020186423	1	44	-1.0	-46.44	374.42	4.10	-42.34
CC1=NN(CC(F)F)C=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186424	0	39	-1.0	-46.73	328.74	3.94	-42.79
CC1=NN(CC(F)F)C=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186424	1	39	-1.0	-46.75	328.80	3.96	-42.79
CC(C)CN1C=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C1=O	REAL300020186425	0	45	-1.0	-62.20	358.75	5.53	-56.67
CC(C)CN1C=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C1=O	REAL300020186425	1	45	-1.0	-62.18	358.81	5.55	-56.63
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CC1(C2=CC=CC=C2C(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1	REAL300020186428	0	43	-1.0	-42.72	337.76	6.92	-35.80
CC1(C2=CC=CC=C2C(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020186428	1	43	-1.0	-42.71	337.82	6.94	-35.77
CCC(C)(C)C1=CC=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186429	0	48	-1.0	-41.00	345.32	7.61	-33.39
CCC(C)(C)C1=CC=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186429	1	48	-1.0	-41.01	345.38	7.62	-33.39
N#CC1(C(=O)N2CCC(C3=N[N-]N=N3)CC2)CCSCC1	REAL300020186430	0	38	-1.0	-44.36	302.78	3.85	-40.51
N#CC1(C(=O)N2CCC(C3=NN=N[N-]3)CC2)CCSCC1	REAL300020186430	1	38	-1.0	-44.37	302.84	3.86	-40.51
CC(C)(C)CC1=CC=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020186431	0	48	-1.0	-42.81	351.53	7.21	-35.60
CC(C)(C)CC1=CC=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020186431	1	48	-1.0	-42.84	351.59	7.23	-35.61
O=C(N1CCC(C2=N[N-]N=N2)CC1)C1(C2=CC=C3OCOC3=C2)CC1	REAL300020186432	0	43	-1.0	-49.59	345.36	4.97	-44.62
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O=C(N1CCC(C2=N[N-]N=N2)CC1)[C@]12C[C@H]1COC21CCC1	REAL300020186433	0	42	-1.0	-40.66	319.77	3.90	-36.76
O=C(N1CCC(C2=NN=N[N-]2)CC1)[C@]12C[C@H]1COC21CCC1	REAL300020186433	1	42	-1.0	-40.65	319.83	3.92	-36.73
CC1(C(=O)N2CCC(C3=N[N-]N=N3)CC2)CCC2(CC1)OCCO2	REAL300020186434	0	48	-1.0	-43.69	344.92	3.67	-40.02
CC1(C(=O)N2CCC(C3=NN=N[N-]3)CC2)CCC2(CC1)OCCO2	REAL300020186434	1	48	-1.0	-43.70	344.98	3.68	-40.02
C[C@@H]1C[C@H](C(F)F)N2N=CC(C(=O)N3CCC(C4=NN=N[N-]4)CC3)=C2N1	REAL300020186435	0	45	-1.0	-44.95	363.29	3.48	-41.47
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COC(=O)C1=CC=C2NN=C(C(=O)N3CCC(C4=NN=N[N-]4)CC3)C2=C1	REAL300020188413	1	42	-1.0	-50.82	350.92	4.36	-46.46
CC1=NOC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)(C2=CC=CC=C2)C1	REAL300020188414	0	44	-1.0	-42.15	350.85	5.54	-36.61
CC1=NOC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)(C2=CC=CC=C2)C1	REAL300020188414	1	44	-1.0	-42.14	350.91	5.55	-36.59
CC(C)(C)OC(=O)C12CC(C(=O)N3CCC(C4=N[N-]N=N4)CC3)(C1)CO2	REAL300020188415	0	50	-1.0	-42.93	384.74	4.76	-38.17
CC(C)(C)OC(=O)C12CC(C(=O)N3CCC(C4=NN=N[N-]4)CC3)(C1)CO2	REAL300020188415	1	50	-1.0	-42.97	384.80	4.78	-38.19
COC(=O)CC(C(=O)N1CCC(C2=NN=N[N-]2)CC1)[NH+]1CCCCC1	REAL300020188416	0	51	0.0	-60.28	372.86	6.84	-53.44
COC(=O)CC(C(=O)N1CCC(C2=N[N-]N=N2)CC1)N1CCCCC1	REAL300020188416	1	50	-1.0	-41.13	371.24	4.17	-36.96
COC(=O)CC(C(=O)N1CCC(C2=NN=N[N-]2)CC1)N1CCCCC1	REAL300020188416	1	50	-1.0	-41.11	371.30	4.19	-36.92
CCOC(=O)[C@H]1C[C@@](F)(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020188417	0	42	-1.0	-42.76	341.75	5.27	-37.49
CCOC(=O)[C@H]1C[C@@](F)(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020188417	1	42	-1.0	-42.77	341.81	5.29	-37.48
CCOC(=O)[C@H]1C[C@](F)(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020188418	0	42	-1.0	-39.60	340.74	5.23	-34.37
CCOC(=O)[C@H]1C[C@](F)(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020188418	1	42	-1.0	-39.56	340.79	5.25	-34.31
CC(C)(C)OC(=O)NCC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=NN1	REAL300020188419	0	50	-1.0	-45.89	398.44	1.83	-44.06
CC(C)(C)OC(=O)NCC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=NN1	REAL300020188419	1	50	-1.0	-45.96	398.50	1.85	-44.11
CC(C)(C)OC(=O)N1CCCCC1CC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188420	0	56	-1.0	-44.01	410.04	6.66	-37.35
CC(C)(C)OC(=O)N1CCCCC1CC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188420	1	56	-1.0	-43.99	410.10	6.67	-37.32
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](C(=O)N3CCC(C4=N[N-]N=N4)CC3)C[C@@H]2C1	REAL300020188421	0	57	-1.0	-46.07	422.12	6.25	-39.82
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](C(=O)N3CCC(C4=NN=N[N-]4)CC3)C[C@@H]2C1	REAL300020188421	1	57	-1.0	-46.05	422.18	6.27	-39.78
CC(C)(C)OC(=O)N1CC2(C)CC1(C(=O)N1CCC(C3=N[N-]N=N3)CC1)C2	REAL300020188422	0	54	-1.0	-43.80	403.17	6.13	-37.67
CC(C)(C)OC(=O)N1CC2(C)CC1(C(=O)N1CCC(C3=NN=N[N-]3)CC1)C2	REAL300020188422	1	54	-1.0	-43.80	403.23	6.14	-37.66
O=C(C1=CC=CC=C1)C1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020188423	0	45	-1.0	-45.12	365.62	7.63	-37.49
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CC1CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)CCS1(=O)=O	REAL300020188425	1	42	-1.0	-49.64	327.91	1.39	-48.25
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O=C(C1=CC=CC(N2CCCNS2(=O)=O)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188428	0	47	-1.0	-58.73	382.46	1.41	-57.32
O=C(C1=CC=CC(N2CCCNS2(=O)=O)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188428	1	47	-1.0	-58.76	382.52	1.42	-57.34
CC(C1CC1)N1CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1=O	REAL300020188429	0	47	-1.0	-46.57	363.86	5.27	-41.30
CC(C1CC1)N1CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1=O	REAL300020188429	1	47	-1.0	-46.60	363.92	5.28	-41.32
CC(C)(C)OC(=O)NOC(C)(C)C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188430	0	50	-1.0	-50.37	378.10	3.97	-46.40
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CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188443	1	53	-1.0	-48.94	402.66	4.24	-44.70
CC(C)(C)OC(=O)N1CCC(C(C)(C)C(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020188444	0	59	-1.0	-51.56	424.55	5.87	-45.69
CC(C)(C)OC(=O)N1CCC(C(C)(C)C(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020188444	1	59	-1.0	-51.59	424.61	5.89	-45.70
CC(C)(C)OC(=O)NC(C(=O)N1CCC(C2=N[N-]N=N2)CC1)C1CC=CCC1	REAL300020188445	0	57	-1.0	-41.47	418.48	4.88	-36.59
CC(C)(C)OC(=O)NC(C(=O)N1CCC(C2=NN=N[N-]2)CC1)C1CC=CCC1	REAL300020188445	1	57	-1.0	-41.47	418.54	4.90	-36.57
CC(C)(C)OC(=O)NC1(C(=O)N2CCC(C3=N[N-]N=N3)CC2)CCSCC1	REAL300020188446	0	54	-1.0	-45.48	397.30	5.72	-39.76
CC(C)(C)OC(=O)NC1(C(=O)N2CCC(C3=NN=N[N-]3)CC2)CCSCC1	REAL300020188446	1	54	-1.0	-45.51	397.35	5.72	-39.79
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CC(C)(C)OC(=O)N1C[C@@]2(C)C[C@@]2(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020188447	1	54	-1.0	-47.04	414.09	5.89	-41.15
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CC(C)(C)OC(=O)NC12CC(C(=O)N3CCC(C4=NN=N[N-]4)CC3)(C1)OC2	REAL300020188448	1	52	-1.0	-43.06	400.17	2.06	-41.00
CC(C)(C)OC(=O)N[C@@H](CC1=CNC=N1)C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188449	0	53	-1.0	-45.98	408.87	3.37	-42.61
CC(C)(C)OC(=O)N[C@@H](CC1=CNC=N1)C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188449	1	53	-1.0	-45.99	408.93	3.39	-42.60
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CC(CNC(=O)OC(C)(C)C)C(F)C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188451	0	52	-1.0	-46.47	404.07	3.66	-42.81
CC(CNC(=O)OC(C)(C)C)C(F)C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188451	1	52	-1.0	-46.55	404.13	3.67	-42.88
CC(C)(C)OC(=O)N1CCC2(CC(C(=O)N3CCC(C4=N[N-]N=N4)CC3)C2)C1	REAL300020188452	0	57	-1.0	-44.82	431.33	6.51	-38.31
CC(C)(C)OC(=O)N1CCC2(CC(C(=O)N3CCC(C4=NN=N[N-]4)CC3)C2)C1	REAL300020188452	1	57	-1.0	-44.85	431.39	6.53	-38.32
CC(C)(C)OC(=O)N[C@@H](CF)C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188453	0	46	-1.0	-44.42	361.27	2.27	-42.15
CC(C)(C)OC(=O)N[C@@H](CF)C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188453	1	46	-1.0	-44.43	361.32	2.28	-42.15
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C[C@@H]1C[C@H]1C(=O)NC1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020188455	0	47	-1.0	-56.49	376.14	5.52	-50.97
C[C@@H]1C[C@H]1C(=O)NC1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020188455	1	47	-1.0	-56.55	376.20	5.54	-51.01
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O=C(C1=CN([C@@H]2COC[C@@H]2F)N=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188456	1	40	-1.0	-47.93	327.75	1.87	-46.06
CC1CCC(OCCCC(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1	REAL300020188457	0	52	-1.0	-44.21	392.39	6.69	-37.52
CC1CCC(OCCCC(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020188457	1	52	-1.0	-44.20	392.44	6.71	-37.49
C[C@@H]1C[C@H]1C(=O)NC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020188458	0	47	-1.0	-50.28	376.91	5.56	-44.72
C[C@@H]1C[C@H]1C(=O)NC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020188458	1	47	-1.0	-50.27	376.96	5.58	-44.69
O=C(CC1CC2=CC=CC=C2NC1=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188459	0	44	-1.0	-51.99	348.13	5.74	-46.25
O=C(CC1CC2=CC=CC=C2NC1=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188459	1	44	-1.0	-51.96	348.19	5.76	-46.20
CC1(C)C(=O)NC2CCC(C(=O)N3CCC(C4=N[N-]N=N4)CC3)CC21	REAL300020188460	0	50	-1.0	-47.54	362.64	2.84	-44.70
CC1(C)C(=O)NC2CCC(C(=O)N3CCC(C4=NN=N[N-]4)CC3)CC21	REAL300020188460	1	50	-1.0	-47.53	362.70	2.86	-44.67
COC1(C2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)CC3)C=N2)CCOCC1	REAL300020188461	0	50	-1.0	-42.79	383.02	2.99	-39.80
COC1(C2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)CC3)C=N2)CCOCC1	REAL300020188461	1	50	-1.0	-42.80	382.96	2.98	-39.82
CC(C)(C)OC(=O)NCCC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=NO1	REAL300020188462	0	52	-1.0	-47.21	415.57	3.69	-43.52
CC(C)(C)OC(=O)NCCC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=NO1	REAL300020188462	1	52	-1.0	-47.22	415.63	3.70	-43.52
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O=C(C1=CC=C2SN=CC2=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188463	1	35	-1.0	-43.29	302.24	4.61	-38.68
CN(CC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1)C1=CC=CC=C1	REAL300020188464	0	51	-1.0	-45.64	398.70	8.63	-37.01
CN(CC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1)C1=CC=CC=C1	REAL300020188464	1	51	-1.0	-45.65	398.75	8.64	-37.01
CN1C=NC2=CC(C(=O)N3CCC(C4=NN=N[N-]4)CC3)=CC=C2C1=O	REAL300020188465	0	41	-1.0	-49.21	336.25	5.12	-44.09
CN1C=NC2=CC(C(=O)N3CCC(C4=N[N-]N=N4)CC3)=CC=C2C1=O	REAL300020188465	1	41	-1.0	-49.19	336.19	5.10	-44.09
CC1=NC2=CC(C(F)(F)F)=NN2C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020188466	0	41	-1.0	-52.37	359.28	4.93	-47.44
CC1=NC2=CC(C(F)(F)F)=NN2C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020188466	1	41	-1.0	-52.44	359.34	4.94	-47.50
COC1=CC([C@@H]2C[C@H]2C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C(OC)C=C1C	REAL300020188467	0	51	-1.0	-46.98	399.72	6.15	-40.83
COC1=CC([C@@H]2C[C@H]2C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C(OC)C=C1C	REAL300020188467	1	51	-1.0	-46.97	399.78	6.17	-40.80
O=C(CC1CCCCC1(F)F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188468	0	42	-1.0	-40.60	324.39	5.78	-34.82
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CC(C)(C)OC(=O)N[C@@H]1[C@H](C(=O)N2CCC(C3=N[N-]N=N3)CC2)C1(C)C	REAL300020188469	0	53	-1.0	-41.85	401.23	4.69	-37.16
CC(C)(C)OC(=O)N[C@@H]1[C@H](C(=O)N2CCC(C3=NN=N[N-]3)CC2)C1(C)C	REAL300020188469	1	53	-1.0	-41.88	401.29	4.71	-37.17
CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](C(=O)N3CCC(C4=N[N-]N=N4)CC3)[C@@H]2C1	REAL300020188470	0	55	-1.0	-56.25	412.43	3.85	-52.40
CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](C(=O)N3CCC(C4=NN=N[N-]4)CC3)[C@@H]2C1	REAL300020188470	1	55	-1.0	-56.25	412.49	3.87	-52.38
CN1N=CC=C1C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020188471	0	43	-1.0	-46.23	344.09	5.37	-40.86
CN1N=CC=C1C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020188471	1	43	-1.0	-46.24	344.03	5.36	-40.88
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CN1C=C(SCC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=N1	REAL300020188474	1	37	-1.0	-46.44	318.40	3.80	-42.64
CCSC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188475	0	53	-1.0	-42.83	414.58	4.05	-38.78
CCSC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188475	1	53	-1.0	-42.86	414.64	4.06	-38.80
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CN1C=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C2=CC(Cl)=CC=C21	REAL300020188477	0	40	-1.0	-51.47	341.76	6.69	-44.78
CN1C=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C2=CC(Cl)=CC=C21	REAL300020188477	1	40	-1.0	-51.43	341.81	6.70	-44.73
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CC1=CN2C=C(C(=O)N3CCC(C4=N[N-]N=N4)CC3)C=CC2=N1	REAL300020188481	0	39	-1.0	-44.99	322.95	5.73	-39.26
CC1=CN2C=C(C(=O)N3CCC(C4=NN=N[N-]4)CC3)C=CC2=N1	REAL300020188481	1	39	-1.0	-45.01	323.01	5.75	-39.26
[N-]=[N+]=NC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1[O-]	REAL300020188482	0	35	-2.0	-85.09	305.28	0.20	-84.89
[N-]=[N+]=NC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1[O-]	REAL300020188482	1	35	-2.0	-85.09	305.34	0.21	-84.88
[N-]=[N+]=N[C@H]1CC[C@@H](C(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1	REAL300020188483	0	41	-1.0	-43.68	321.61	1.66	-42.02
[N-]=[N+]=N[C@H]1CC[C@@H](C(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020188483	1	41	-1.0	-43.67	321.66	1.67	-42.00
[N-]=[N+]=N[C@H]1CC[C@H](C(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1	REAL300020188484	0	41	-1.0	-41.51	324.78	1.45	-40.06
[N-]=[N+]=N[C@H]1CC[C@H](C(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020188484	1	41	-1.0	-41.56	324.84	1.47	-40.09
[N-]=[N+]=N[C@@H]1C=CC[C@@H](C(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020188485	0	39	-1.0	-42.31	316.35	1.43	-40.88
[N-]=[N+]=N[C@@H]1C=CC[C@@H](C(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020188485	1	39	-1.0	-42.27	316.40	1.45	-40.82
O=C(C1=CC=C(N2CCNS2(=O)=O)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188486	0	44	-1.0	-56.16	361.20	0.48	-55.68
O=C(C1=CC=C(N2CCNS2(=O)=O)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188486	1	44	-1.0	-56.15	361.26	0.50	-55.65
[N-]=[N+]=NCC(F)(F)CCC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188487	0	37	-1.0	-42.89	318.69	0.79	-42.10
[N-]=[N+]=NCC(F)(F)CCC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188487	1	37	-1.0	-42.91	318.74	0.81	-42.10
[N-]=[N+]=NCC1=NN2CCCC2=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188488	0	42	-1.0	-44.72	352.99	0.43	-44.29
[N-]=[N+]=NCC1=NN2CCCC2=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188488	1	42	-1.0	-44.73	353.05	0.45	-44.28
CC1=NC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C2C=CNC2=N1	REAL300020188489	0	38	-1.0	-46.04	313.86	4.21	-41.83
CC1=NC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C2C=CNC2=N1	REAL300020188489	1	38	-1.0	-46.06	313.92	4.23	-41.83
[N-]=[N+]=NC1=CC=CC=C1CCC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188490	0	41	-1.0	-44.21	342.46	4.04	-40.17
[N-]=[N+]=NC1=CC=CC=C1CCC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188490	1	41	-1.0	-44.21	342.52	4.05	-40.16
CC(C)(C)OC(=O)N1CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)OC(C)(C)C1	REAL300020188491	0	57	-1.0	-43.29	425.10	5.82	-37.47
CC(C)(C)OC(=O)N1CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)OC(C)(C)C1	REAL300020188491	1	57	-1.0	-43.29	425.15	5.84	-37.45
CCC1=CC=CC(CC)=C1CC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188492	0	48	-1.0	-42.60	363.14	7.74	-34.86
CCC1=CC=CC(CC)=C1CC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188492	1	48	-1.0	-42.60	363.20	7.76	-34.84
CC1(C)CCCC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1	REAL300020188493	0	48	-1.0	-40.77	343.19	6.20	-34.57
CC1(C)CCCC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020188493	1	48	-1.0	-40.78	343.25	6.22	-34.56
O=C(CC1=CC=CC(OCC2CC2)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188494	0	47	-1.0	-44.62	377.74	7.27	-37.35
O=C(CC1=CC=CC(OCC2CC2)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188494	1	47	-1.0	-44.67	377.80	7.28	-37.39
O=C(C1CC2(CC(OCC3=CC=CC=C3)C2)C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188495	0	54	-1.0	-43.76	424.52	8.53	-35.23
O=C(C1CC2(CC(OCC3=CC=CC=C3)C2)C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188495	1	54	-1.0	-43.80	424.58	8.54	-35.26
CC(C)[C@H]1CC[C@@H](C(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1	REAL300020188496	0	48	-1.0	-40.93	341.56	6.33	-34.60
CC(C)[C@H]1CC[C@@H](C(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020188496	1	48	-1.0	-40.88	341.63	6.36	-34.52
CC(C)N1C=C(C2CC2C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=N1	REAL300020188497	0	46	-1.0	-46.99	358.96	5.78	-41.21
CC(C)N1C=C(C2CC2C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=N1	REAL300020188497	1	46	-1.0	-47.01	358.91	5.77	-41.24
O=C(C1=CC=C(OCC(F)F)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188498	0	40	-1.0	-48.23	334.83	5.01	-43.22
O=C(C1=CC=C(OCC(F)F)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188498	1	40	-1.0	-48.27	334.88	5.02	-43.25
CCN1N=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C(Cl)=C1Br	REAL300020188499	0	36	-1.0	-42.76	329.94	4.65	-38.11
CCN1N=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C(Cl)=C1Br	REAL300020188499	1	36	-1.0	-42.77	329.89	4.64	-38.13
NC(=O)C1=CC(F)=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020188500	0	37	-1.0	-45.48	311.47	1.30	-44.18
NC(=O)C1=CC(F)=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020188500	1	37	-1.0	-45.46	311.53	1.32	-44.14
CN1N=C(Br)C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020188501	0	32	-1.0	-42.36	286.89	1.66	-40.70
CN1N=C(Br)C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020188501	1	32	-1.0	-42.31	286.83	1.64	-40.67
O=C(C1=CN(C2=CC=CC(Cl)=C2)C(=O)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188502	0	43	-1.0	-47.32	376.50	7.30	-40.02
O=C(C1=CN(C2=CC=CC(Cl)=C2)C(=O)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188502	1	43	-1.0	-47.31	376.56	7.31	-40.00
CC(C)(C)OC(=O)N1CC2=C(C1)C(C(=O)N1CCC(C3=N[N-]N=N3)CC1)=CO2	REAL300020188503	0	51	-1.0	-50.71	403.05	5.00	-45.71
CC(C)(C)OC(=O)N1CC2=C(C1)C(C(=O)N1CCC(C3=NN=N[N-]3)CC1)=CO2	REAL300020188503	1	51	-1.0	-50.71	403.11	5.01	-45.70
CC(C)(C)OC(=O)NC1CCCC2C(C(=O)N3CCC(C4=N[N-]N=N4)CC3)C21	REAL300020188504	0	57	-1.0	-46.63	407.00	5.75	-40.88
CC(C)(C)OC(=O)NC1CCCC2C(C(=O)N3CCC(C4=NN=N[N-]4)CC3)C21	REAL300020188504	1	57	-1.0	-46.62	407.06	5.77	-40.85
O=C(C1=CC2=CC=CC=C2C([N+](=O)[O-])=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188505	0	41	-1.0	-43.65	339.97	7.19	-36.46
O=C(C1=CC2=CC=CC=C2C([N+](=O)[O-])=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188505	1	41	-1.0	-43.63	340.03	7.21	-36.42
O=C(C1CCOC2(CCCCC2)C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188506	0	50	-1.0	-42.23	360.68	5.66	-36.57
O=C(C1CCOC2(CCCCC2)C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188506	1	50	-1.0	-42.24	360.74	5.67	-36.57
O=C(CC(C1=CC=C(F)C(F)=C1)C1CC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188507	0	46	-1.0	-41.98	372.22	8.19	-33.79
O=C(CC(C1=CC=C(F)C(F)=C1)C1CC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188507	1	46	-1.0	-41.99	372.28	8.20	-33.79
CC(C(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=CC2=CC=CC=C21	REAL300020188508	0	45	-1.0	-43.93	349.26	7.85	-36.08
CC(C(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=CC2=CC=CC=C21	REAL300020188508	1	45	-1.0	-43.90	349.32	7.87	-36.03
COC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC(F)=C1F	REAL300020188509	0	37	-1.0	-41.11	312.49	3.89	-37.22
COC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC(F)=C1F	REAL300020188509	1	37	-1.0	-41.15	312.54	3.91	-37.24
COC1=CC2=CC=CN=C2C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020188510	0	42	-1.0	-51.51	338.14	4.36	-47.15
COC1=CC2=CC=CN=C2C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020188510	1	42	-1.0	-51.51	338.08	4.35	-47.16
O=C(C1=CC(C(F)(F)F)=NC=C1Cl)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188511	0	35	-1.0	-40.69	320.97	4.27	-36.42
O=C(C1=CC(C(F)(F)F)=NC=C1Cl)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188511	1	35	-1.0	-40.72	320.91	4.25	-36.47
O=C(CC1CCC(=O)NC1=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188512	0	39	-1.0	-55.31	311.34	2.38	-52.93
O=C(CC1CCC(=O)NC1=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188512	1	39	-1.0	-55.35	311.40	2.40	-52.95
CCN1N=C(Br)C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020188513	0	35	-1.0	-41.80	308.70	2.49	-39.31
CCN1N=C(Br)C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020188513	1	35	-1.0	-41.76	308.64	2.48	-39.28
CC(C)(C)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C(Cl)=N1	REAL300020188514	0	44	-1.0	-46.87	359.52	5.67	-41.20
CC(C)(C)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C(Cl)=N1	REAL300020188514	1	44	-1.0	-46.89	359.46	5.66	-41.23
CN1C(=O)NC2(CCC(C(=O)N3CCC(C4=N[N-]N=N4)CC3)CC2)C1=O	REAL300020188515	0	48	-1.0	-50.76	367.04	2.31	-48.45
CN1C(=O)NC2(CCC(C(=O)N3CCC(C4=NN=N[N-]4)CC3)CC2)C1=O	REAL300020188515	1	48	-1.0	-50.75	367.10	2.33	-48.42
O=C(C1=CC=CC(C2=NNC=C2)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188516	0	40	-1.0	-46.92	329.40	4.47	-42.45
O=C(C1=CC=CC(C2=NNC=C2)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188516	1	40	-1.0	-46.97	329.46	4.49	-42.48
CC1=C2NN=C(C(=O)N3CCC(C4=N[N-]N=N4)CC3)C2=CC=C1	REAL300020188517	0	39	-1.0	-45.35	317.54	4.36	-40.99
CC1=C2NN=C(C(=O)N3CCC(C4=NN=N[N-]4)CC3)C2=CC=C1	REAL300020188517	1	39	-1.0	-45.36	317.60	4.38	-40.98
CC1=C2NN=C(C(=O)N3CCC(C4=N[N-]N=N4)CC3)C2=CC(Br)=C1	REAL300020188518	0	39	-1.0	-44.13	338.51	4.93	-39.20
CC1=C2NN=C(C(=O)N3CCC(C4=NN=N[N-]4)CC3)C2=CC(Br)=C1	REAL300020188518	1	39	-1.0	-44.10	338.57	4.94	-39.16
CC1=CC(Br)=CC2=C(C(=O)N3CCC(C4=N[N-]N=N4)CC3)NN=C21	REAL300020188518	1	39	-1.0	-40.16	342.92	4.47	-35.69
O=C(C1CCC2(CCOCC2)O1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188519	0	45	-1.0	-44.56	339.94	3.76	-40.80
O=C(C1CCC2(CCOCC2)O1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188519	1	45	-1.0	-44.59	340.00	3.77	-40.82
CC1=CC=CC=C1C1=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=NO1	REAL300020188520	0	42	-1.0	-41.95	345.80	6.68	-35.27
CC1=CC=CC=C1C1=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=NO1	REAL300020188520	1	42	-1.0	-41.94	345.75	6.66	-35.28
CC(F)(F)C1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020188521	0	38	-1.0	-42.27	315.61	5.16	-37.11
CC(F)(F)C1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020188521	1	38	-1.0	-42.27	315.55	5.14	-37.13
CC(C)(C)OC(=O)N1[C@H]2C[C@H](C[C@@H]2O)[C@H]1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188522	0	55	-1.0	-50.07	417.19	3.01	-47.06
CC(C)(C)OC(=O)N1[C@H]2C[C@H](C[C@@H]2O)[C@H]1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188522	1	55	-1.0	-50.06	417.25	3.02	-47.04
CC(C(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=CC=C1Cl	REAL300020188523	0	39	-1.0	-41.94	323.50	6.31	-35.63
CC(C(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=CC=C1Cl	REAL300020188523	1	39	-1.0	-41.93	323.56	6.32	-35.61
O=C(C1=CC=CC(CC2=CC=CC=N2)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188524	0	45	-1.0	-45.08	367.65	7.10	-37.98
O=C(C1=CC=CC(CC2=CC=CC=N2)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188524	1	45	-1.0	-45.12	367.71	7.12	-38.00
O=C(C1=COC2=C(F)C=C(Cl)C=C12)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188525	0	36	-1.0	-44.91	321.95	5.52	-39.39
O=C(C1=COC2=C(F)C=C(Cl)C=C12)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188525	1	36	-1.0	-44.95	322.01	5.54	-39.41
O=C(C1CCC2(CC1)NC(=O)NC2=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188526	0	45	-1.0	-45.57	350.75	0.29	-45.28
O=C(C1CCC2(CC1)NC(=O)NC2=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188526	1	45	-1.0	-45.62	350.80	0.30	-45.32
O=C(C1=C(I)C=CS1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188527	0	30	-1.0	-42.65	285.69	4.57	-38.08
O=C(C1=C(I)C=CS1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188527	1	30	-1.0	-42.64	285.74	4.58	-38.06
CCCN1C=C(Cl)C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020188528	0	39	-1.0	-45.40	330.60	4.95	-40.45
CCCN1C=C(Cl)C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020188528	1	39	-1.0	-45.42	330.55	4.93	-40.49
O=C(C1=CSN=C1C1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188740	0	39	-1.0	-44.68	332.92	5.62	-39.06
O=C(C1=CSN=C1C1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188740	1	39	-1.0	-44.66	332.86	5.60	-39.06
O=C(C1=C(F)C(F)=C(F)C(F)=C1F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188741	0	33	-1.0	-39.51	305.53	4.87	-34.64
O=C(C1=C(F)C(F)=C(F)C(F)=C1F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188741	1	33	-1.0	-39.51	305.59	4.89	-34.62
O=C(CCC1=NN=N[N-]1)NC1=NC2=NC=C(Cl)C=C2C=C1	REAL300020188742	0	30	-1.0	-52.38	285.73	3.99	-48.39
O=C(CCC1=N[N-]N=N1)NC1=NC2=NC=C(Cl)C=C2C=C1	REAL300020188742	1	30	-1.0	-52.36	285.68	3.98	-48.38
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COC(CNC(=O)CCC1=N[N-]N=N1)(OC)C1=CC=CC=N1	REAL300020188743	1	39	-1.0	-42.88	320.20	1.43	-41.45
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CC1=CC=CC(CSCC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020188846	1	40	-1.0	-46.01	346.63	6.83	-39.18
CON=CC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020188847	0	37	-1.0	-44.09	313.35	3.66	-40.43
CON=CC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020188847	1	37	-1.0	-44.10	313.42	3.68	-40.42
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CC1=NN=C(SCC(=O)N2CCC(C3=NN=N[N-]3)C2)N1C1=CC(C)=CC=C1C	REAL300020188848	1	49	-1.0	-46.29	420.80	9.24	-37.05
CCCCOC1=CC=C(C=CC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1OC	REAL300020188849	0	51	-1.0	-46.21	413.36	6.96	-39.25
CCCCOC1=CC=C(C=CC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020188849	1	51	-1.0	-46.22	413.44	6.97	-39.25
CCCOC1=C(Cl)C=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1OCC	REAL300020188850	0	47	-1.0	-40.84	393.69	6.08	-34.76
CCCOC1=C(Cl)C=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1OCC	REAL300020188850	1	47	-1.0	-40.88	393.77	6.09	-34.79
CC(C1=CC=CC=C1)N1CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)CC1=O	REAL300020188851	0	47	-1.0	-45.45	371.85	5.72	-39.73
CC(C1=CC=CC=C1)N1CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)CC1=O	REAL300020188851	1	47	-1.0	-45.46	371.92	5.73	-39.73
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CC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C(C)N1C1=CC(C)=CC=C1	REAL300020188865	1	47	-1.0	-45.32	374.57	8.23	-37.09
CCC(C)C(NC(=O)C1=CC=C(Cl)C=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020188866	0	49	-1.0	-40.22	397.92	5.76	-34.46
CCC(C)C(NC(=O)C1=CC=C(Cl)C=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020188866	1	49	-1.0	-40.27	398.00	5.76	-34.51
CCCCOC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1OC	REAL300020188867	0	47	-1.0	-43.55	373.50	5.27	-38.28
CCCCOC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020188867	1	47	-1.0	-43.55	373.58	5.28	-38.27
CC1=CC(OCCCC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1Cl	REAL300020188868	0	43	-1.0	-46.32	367.56	6.27	-40.05
CC1=CC(OCCCC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1Cl	REAL300020188868	1	43	-1.0	-46.28	367.63	6.28	-40.00
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CCOC1=CC=C(C(=O)CCC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020188871	0	45	-1.0	-43.24	373.49	5.64	-37.60
CCOC1=CC=C(C(=O)CCC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020188871	1	45	-1.0	-43.23	373.57	5.64	-37.59
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O=C(COC1=CC2=CC=CC=C2C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020188873	0	40	-1.0	-49.06	335.66	6.95	-42.11
O=C(COC1=CC2=CC=CC=C2C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020188873	1	40	-1.0	-49.03	335.73	6.97	-42.06
O=C(CCSC1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020188874	0	37	-1.0	-43.05	320.92	6.03	-37.02
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O=C(C1=CC=CS1)N1CCC[C@H]1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020188875	0	41	-1.0	-58.98	339.73	5.40	-53.58
O=C(C1=CC=CS1)N1CCC[C@H]1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020188875	1	41	-1.0	-59.03	339.80	5.42	-53.61
CC1CCN(C2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2[N+](=O)[O-])CC1	REAL300020188876	0	50	-1.0	-48.28	393.69	7.39	-40.89
CC1CCN(C2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2[N+](=O)[O-])CC1	REAL300020188876	1	50	-1.0	-48.30	393.76	7.40	-40.90
CC1=CC=C(SCCC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020188877	0	40	-1.0	-43.08	342.32	6.72	-36.36
CC1=CC=C(SCCC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020188877	1	40	-1.0	-43.05	342.39	6.72	-36.33
CC1=CC(=O)OC2=CC(OCC(=O)N3CCC(C4=N[N-]N=N4)C3)=CC=C12	REAL300020188878	0	42	-1.0	-58.08	355.48	6.75	-51.33
CC1=CC(=O)OC2=CC(OCC(=O)N3CCC(C4=NN=N[N-]4)C3)=CC=C12	REAL300020188878	1	42	-1.0	-58.13	355.55	6.77	-51.36
CCC(OC1=CC=CC=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020188879	0	40	-1.0	-38.07	317.86	5.60	-32.47
CCC(OC1=CC=CC=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020188879	1	40	-1.0	-38.07	317.93	5.61	-32.46
CC1=CC=C(C)C(N2N=NN=C2SCC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020188880	0	45	-1.0	-44.52	390.94	6.24	-38.28
CC1=CC=C(C)C(N2N=NN=C2SCC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020188880	1	45	-1.0	-44.49	390.86	6.23	-38.26
O=C(CSC1=NN=C(C2=CC=C(Cl)C=C2)O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020188881	0	39	-1.0	-42.77	370.61	1.84	-40.93
O=C(CSC1=NN=C(C2=CC=C(Cl)C=C2)O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020188881	1	39	-1.0	-42.77	370.68	1.86	-40.91
O=C(C1=CC=C(OC(F)F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020188882	0	34	-1.0	-44.46	289.19	3.14	-41.32
O=C(C1=CC=C(OC(F)F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020188882	1	34	-1.0	-44.47	289.27	3.15	-41.32
CC1=CC=C(S(=O)(=O)NCCC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1C	REAL300020188883	0	47	-1.0	-49.59	395.30	2.32	-47.27
CC1=CC=C(S(=O)(=O)NCCC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1C	REAL300020188883	1	47	-1.0	-49.61	395.38	2.33	-47.28
CC1=CC=C(S(=O)(=O)NCC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1C	REAL300020188884	0	44	-1.0	-48.61	373.25	1.64	-46.97
CC1=CC=C(S(=O)(=O)NCC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1C	REAL300020188884	1	44	-1.0	-48.66	373.33	1.65	-47.01
CC1=CC=C(Cl)C(OCC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020188885	0	37	-1.0	-48.78	327.08	5.88	-42.90
CC1=CC=C(Cl)C(OCC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020188885	1	37	-1.0	-48.78	327.15	5.90	-42.88
O=C(COC1=CC=C2CCCC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020188886	0	41	-1.0	-47.42	335.20	6.59	-40.83
O=C(COC1=CC=C2CCCC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020188886	1	41	-1.0	-47.45	335.27	6.60	-40.85
O=C(CC1OC(=O)C2=CC=CC=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020188887	0	37	-1.0	-53.31	318.05	5.65	-47.66
O=C(CC1OC(=O)C2=CC=CC=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020188887	1	37	-1.0	-53.33	318.13	5.65	-47.68
CC1=CC(Cl)=CC=C1OC(C)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020188888	0	40	-1.0	-45.20	339.75	6.29	-38.91
CC1=CC(Cl)=CC=C1OC(C)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020188888	1	40	-1.0	-45.19	339.82	6.31	-38.88
COC1=CC=C(Cl)C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020188889	0	34	-1.0	-44.90	299.35	4.35	-40.55
COC1=CC=C(Cl)C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020188889	1	34	-1.0	-44.91	299.42	4.36	-40.55
O=C(CCC(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=C(Cl)S1	REAL300020188890	0	35	-1.0	-41.60	330.23	5.11	-36.49
O=C(CCC(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=C(Cl)S1	REAL300020188890	1	35	-1.0	-41.60	330.30	5.12	-36.48
O=C(C1=CC=C2SCC(=O)NC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020188891	0	36	-1.0	-45.76	309.99	2.56	-43.20
O=C(C1=CC=C2SCC(=O)NC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020188891	1	36	-1.0	-45.79	310.07	2.57	-43.22
CCCCN1C(=O)C2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2C1=O	REAL300020188892	0	46	-1.0	-42.21	380.70	5.38	-36.83
CCCCN1C(=O)C2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2C1=O	REAL300020188892	1	46	-1.0	-42.22	380.77	5.38	-36.84
CCCOC1=CC=C(OCC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020188893	0	44	-1.0	-47.06	362.49	5.69	-41.37
CCCOC1=CC=C(OCC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020188893	1	44	-1.0	-47.07	362.57	5.70	-41.37
O=C(C1=CC=C(S(=O)(=O)N2CCOCC2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020188894	0	46	-1.0	-46.37	382.31	1.27	-45.10
O=C(C1=CC=C(S(=O)(=O)N2CCOCC2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020188894	1	46	-1.0	-46.39	382.38	1.27	-45.12
O=C(C1=CC=C(S(=O)(=O)N2CCCCC2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020188895	0	48	-1.0	-46.39	387.12	3.56	-42.83
O=C(C1=CC=C(S(=O)(=O)N2CCCCC2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020188895	1	48	-1.0	-46.40	387.19	3.57	-42.83
CCN(CC)S(=O)(=O)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020188896	0	47	-1.0	-46.70	386.60	3.28	-43.42
CCN(CC)S(=O)(=O)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020188896	1	47	-1.0	-46.70	386.68	3.30	-43.40
CC1=CC(Br)=CC=C1SCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020188897	0	37	-1.0	-43.37	339.04	6.43	-36.94
CC1=CC(Br)=CC=C1SCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020188897	1	37	-1.0	-43.42	339.11	6.45	-36.97
O=C(C1=CC2=CC=CC=C2OC1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020188898	0	35	-1.0	-51.13	308.34	5.31	-45.82
O=C(C1=CC2=CC=CC=C2OC1=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020188898	1	35	-1.0	-51.16	308.41	5.31	-45.85
CCOC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1OCC	REAL300020188899	0	44	-1.0	-43.74	352.36	4.60	-39.14
CCOC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1OCC	REAL300020188899	1	44	-1.0	-43.77	352.44	4.62	-39.15
COC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1[N+](=O)[O-]	REAL300020188900	0	36	-1.0	-50.56	305.43	4.31	-46.25
COC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1[N+](=O)[O-]	REAL300020188900	1	36	-1.0	-50.59	305.51	4.31	-46.28
CC(C)(C)C1CCC(C(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020188901	0	48	-1.0	-35.48	339.45	5.87	-29.61
CC(C)(C)C1CCC(C(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020188901	1	48	-1.0	-35.46	339.53	5.88	-29.58
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=CC=C1[N+](=O)[O-]	REAL300020188902	0	35	-1.0	-45.21	294.76	4.85	-40.36
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=CC=C1[N+](=O)[O-]	REAL300020188902	1	35	-1.0	-45.25	294.83	4.85	-40.40
O=C(CC(C1=CC=CC=C1)C1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020188903	0	46	-1.0	-44.50	369.55	8.65	-35.85
O=C(CC(C1=CC=CC=C1)C1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020188903	1	46	-1.0	-44.49	369.63	8.67	-35.82
O=C(C1=CC(F)=C(F)C=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020188904	0	30	-1.0	-39.38	281.11	4.34	-35.04
O=C(C1=CC(F)=C(F)C=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020188904	1	30	-1.0	-39.41	281.18	4.34	-35.07
COC1=CC(OC)=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1OC	REAL300020188905	0	42	-1.0	-47.26	341.42	2.96	-44.30
COC1=CC(OC)=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020188905	1	42	-1.0	-47.29	341.50	2.96	-44.33
CC1=CC(OCC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC(C)=C1	REAL300020188906	0	40	-1.0	-46.94	332.46	6.01	-40.93
CC1=CC(OCC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC(C)=C1	REAL300020188906	1	40	-1.0	-46.93	332.54	6.02	-40.91
O=C(COC1=CC=CC(C(F)(F)F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020188907	0	37	-1.0	-48.60	328.38	5.69	-42.91
O=C(COC1=CC=CC(C(F)(F)F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020188907	1	37	-1.0	-48.58	328.45	5.69	-42.89
COC1=CC=CC=C1OCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020188908	0	38	-1.0	-51.05	318.90	4.44	-46.61
COC1=CC=CC=C1OCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020188908	1	38	-1.0	-51.08	318.97	4.45	-46.63
COC1=CC=C(C(=O)NCC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1OC	REAL300020188909	0	45	-1.0	-45.12	373.70	1.76	-43.36
COC1=CC=C(C(=O)NCC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020188909	1	45	-1.0	-45.13	373.77	1.77	-43.36
CC(C)(C)C1=CC=C(C(=O)NCC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020188910	0	49	-1.0	-42.51	391.19	4.86	-37.65
CC(C)(C)C1=CC=C(C(=O)NCC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020188910	1	49	-1.0	-42.50	391.26	4.88	-37.62
CC1=CC=C(OCC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1C	REAL300020188911	0	40	-1.0	-47.15	328.04	5.90	-41.25
CC1=CC=C(OCC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1C	REAL300020188911	1	40	-1.0	-47.13	328.12	5.91	-41.22
CC1=CC=C(S(=O)(=O)NCC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020188912	0	41	-1.0	-48.68	356.24	1.11	-47.57
CC1=CC=C(S(=O)(=O)NCC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020188912	1	41	-1.0	-48.69	356.31	1.13	-47.56
O=C(COC1=CC=C(C(=O)C2=CC=CC=C2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020188913	0	46	-1.0	-51.57	386.21	7.93	-43.64
O=C(COC1=CC=C(C(=O)C2=CC=CC=C2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020188913	1	46	-1.0	-51.60	386.29	7.94	-43.66
CC(C(=O)N1CCC(C2=N[N-]N=N2)C1)N1C(=O)C2=CC=CC=C2C1=O	REAL300020188914	0	40	-1.0	-51.64	336.57	5.32	-46.32
CC(C(=O)N1CCC(C2=NN=N[N-]2)C1)N1C(=O)C2=CC=CC=C2C1=O	REAL300020188914	1	40	-1.0	-51.65	336.64	5.33	-46.32
COC1=CC=C(OC)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020188915	0	38	-1.0	-47.26	312.08	3.13	-44.13
COC1=CC=C(OC)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020188915	1	38	-1.0	-47.21	312.15	3.13	-44.08
O=C(C1=NNC(=O)C2=CC=CC=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020188916	0	35	-1.0	-41.09	296.09	2.05	-39.04
O=C(C1=NNC(=O)C2=CC=CC=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020188916	1	35	-1.0	-41.07	296.16	2.07	-39.00
O=C(COC1=CC=C(Cl)C=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020188917	0	34	-1.0	-48.05	322.41	5.74	-42.31
O=C(COC1=CC=C(Cl)C=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020188917	1	34	-1.0	-48.03	322.48	5.74	-42.29
O=C(C1=CC=CC=C1Br)N1CCC(C2=N[N-]N=N2)C1	REAL300020188918	0	30	-1.0	-44.00	272.61	4.32	-39.68
O=C(C1=CC=CC=C1Br)N1CCC(C2=NN=N[N-]2)C1	REAL300020188918	1	30	-1.0	-44.03	272.69	4.33	-39.70
O=C(CN1C=NC2=CC=CC=C2C1=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020188919	0	38	-1.0	-54.96	326.44	5.25	-49.71
O=C(CN1C=NC2=CC=CC=C2C1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020188919	1	38	-1.0	-54.92	326.37	5.23	-49.69
O=C(CCC(=O)N1CCOCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020188920	0	41	-1.0	-43.45	330.70	1.68	-41.77
O=C(CCC(=O)N1CCOCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020188920	1	41	-1.0	-43.44	330.78	1.69	-41.75
O=C(C=CC1=CC=C(OC(F)F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020188921	0	38	-1.0	-45.92	329.05	4.82	-41.10
O=C(C=CC1=CC=C(OC(F)F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020188921	1	38	-1.0	-45.90	329.12	4.83	-41.07
O=C(CNC(=O)C1=CC=C(C(F)(F)F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020188922	0	40	-1.0	-41.87	353.77	3.56	-38.31
O=C(CNC(=O)C1=CC=C(C(F)(F)F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020188922	1	40	-1.0	-41.93	353.84	3.56	-38.37
O=C(CNC(=O)C1=CC=C(Cl)C(Cl)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020188923	0	37	-1.0	-41.81	346.96	3.52	-38.29
O=C(CNC(=O)C1=CC=C(Cl)C(Cl)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020188923	1	37	-1.0	-41.84	347.03	3.53	-38.31
COC1=CC=CC(C(=O)NCC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020188924	0	41	-1.0	-44.84	344.55	1.85	-42.99
COC1=CC=CC(C(=O)NCC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020188924	1	41	-1.0	-44.86	344.62	1.86	-43.00
O=C(CNC(=O)C1=CC=C2OCOC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020188925	0	40	-1.0	-44.48	341.10	1.22	-43.26
O=C(CNC(=O)C1=CC=C2OCOC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020188925	1	40	-1.0	-44.47	341.18	1.24	-43.23
COC1=CC(C(=O)NCC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC(OC)=C1OC	REAL300020188926	0	49	-1.0	-44.71	406.86	1.69	-43.02
COC1=CC(C(=O)NCC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC(OC)=C1OC	REAL300020188926	1	49	-1.0	-44.69	406.94	1.70	-42.99
O=C(CNC(=O)C1=CC=C(Br)O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020188927	0	34	-1.0	-42.68	320.99	1.27	-41.41
O=C(CNC(=O)C1=CC=C(Br)O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020188927	1	34	-1.0	-42.69	321.07	1.29	-41.40
COC1=CC(OC)=CC(C(=O)NCC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020188928	0	45	-1.0	-45.59	374.02	1.15	-44.44
COC1=CC(OC)=CC(C(=O)NCC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020188928	1	45	-1.0	-45.59	374.09	1.16	-44.43
CCOC1=CC=C(C(=O)NCC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020188929	0	44	-1.0	-43.04	366.33	2.80	-40.24
CCOC1=CC=C(C(=O)NCC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020188929	1	44	-1.0	-43.04	366.40	2.81	-40.23
CCOC(=O)N1CCCC(C(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020188930	0	44	-1.0	-44.59	351.63	3.75	-40.84
CCOC(=O)N1CCCC(C(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020188930	1	44	-1.0	-44.64	351.70	3.76	-40.88
O=C(CCN1C2=CC=CC=C2SC2=CC=CC=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020188931	0	47	-1.0	-44.97	387.17	8.64	-36.33
O=C(CCN1C2=CC=CC=C2SC2=CC=CC=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020188931	1	47	-1.0	-44.94	387.24	8.65	-36.29
CC(C)C(NC(=O)C1=CC=C(F)C=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020188932	0	46	-1.0	-40.75	369.82	4.97	-35.78
CC(C)C(NC(=O)C1=CC=C(F)C=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020188932	1	46	-1.0	-40.77	369.89	4.97	-35.80
CCCCOC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020188933	0	43	-1.0	-43.58	344.30	5.36	-38.22
CCCCOC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020188933	1	43	-1.0	-43.56	344.37	5.38	-38.18
O=C(CC1=CC=C([N+](=O)[O-])C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020188934	0	35	-1.0	-47.46	308.96	5.44	-42.02
O=C(CC1=CC=C([N+](=O)[O-])C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020188934	1	35	-1.0	-47.43	309.03	5.45	-41.98
O=C(CCSC1=CC=CC=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020188935	0	37	-1.0	-42.91	335.93	6.49	-36.42
O=C(CCSC1=CC=CC=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020188935	1	37	-1.0	-42.94	336.00	6.50	-36.44
CC1=CC(C(=O)NCC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1[N+](=O)[O-]	REAL300020188936	0	42	-1.0	-43.34	359.23	3.73	-39.61
CC1=CC(C(=O)NCC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1[N+](=O)[O-]	REAL300020188936	1	42	-1.0	-43.37	359.30	3.74	-39.63
CCOC(=O)C1=C(C)NC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1C	REAL300020188937	0	43	-1.0	-45.75	355.34	4.80	-40.95
CCOC(=O)C1=C(C)NC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1C	REAL300020188937	1	43	-1.0	-45.73	355.41	4.83	-40.90
O=C(CCN1C(=O)C2CCCCC2C1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020188938	0	46	-1.0	-46.67	369.77	4.42	-42.25
O=C(CCN1C(=O)C2CCCCC2C1=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020188938	1	46	-1.0	-46.69	369.85	4.44	-42.25
CC(C)CC(C(=O)N1CCC(C2=N[N-]N=N2)C1)N1C(=O)C2CC=CCC2C1=O	REAL300020188939	0	53	-1.0	-47.11	409.69	7.55	-39.56
CC(C)CC(C(=O)N1CCC(C2=NN=N[N-]2)C1)N1C(=O)C2CC=CCC2C1=O	REAL300020188939	1	53	-1.0	-47.05	409.77	7.56	-39.49
CSCC(C(=O)N1CCC(C2=N[N-]N=N2)C1)N1C(=O)C2CCCCC2C1=O	REAL300020188940	0	50	-1.0	-41.95	402.74	6.85	-35.10
CSCC(C(=O)N1CCC(C2=NN=N[N-]2)C1)N1C(=O)C2CCCCC2C1=O	REAL300020188940	1	50	-1.0	-41.97	402.82	6.86	-35.11
CC1=NC2=CC=CC=C2C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020188941	0	38	-1.0	-44.63	313.90	4.66	-39.97
CC1=NC2=CC=CC=C2C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020188941	1	38	-1.0	-44.63	313.98	4.69	-39.94
O=C(C=CC1=CC=CC([N+](=O)[O-])=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020188942	0	36	-1.0	-49.10	318.07	5.90	-43.20
O=C(C=CC1=CC=CC([N+](=O)[O-])=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020188942	1	36	-1.0	-49.13	318.14	5.91	-43.22
CC1=CC=C(C2=NC3=CC=CC=C3C(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C2)C=C1	REAL300020188943	0	48	-1.0	-43.81	390.90	8.43	-35.38
CC1=CC=C(C2=NC3=CC=CC=C3C(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C2)C=C1	REAL300020188943	1	48	-1.0	-43.78	390.82	8.43	-35.35
O=C(C1=CC(C2=CC=CO2)=NC2=CC=CC=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020188944	0	42	-1.0	-44.29	354.31	5.89	-38.40
O=C(C1=CC(C2=CC=CO2)=NC2=CC=CC=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020188944	1	42	-1.0	-44.27	354.24	5.88	-38.39
O=C(C1=CC(C2=CC=CC=N2)=NC2=CC=CC=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020188945	0	44	-1.0	-45.68	366.85	6.25	-39.43
O=C(C1=CC(C2=CC=CC=N2)=NC2=CC=CC=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020188945	1	44	-1.0	-45.65	366.93	6.27	-39.38
O=C(CC1=CC=C(Br)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020188946	0	33	-1.0	-43.97	302.02	5.40	-38.57
O=C(CC1=CC=C(Br)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020188946	1	33	-1.0	-43.98	302.09	5.40	-38.58
O=C(CC1=CC=CC=C1[N+](=O)[O-])N1CCC(C2=N[N-]N=N2)C1	REAL300020188947	0	35	-1.0	-52.02	301.41	5.11	-46.91
O=C(CC1=CC=CC=C1[N+](=O)[O-])N1CCC(C2=NN=N[N-]2)C1	REAL300020188947	1	35	-1.0	-52.04	301.48	5.11	-46.93
O=C(COC1=CC(Cl)=C(Cl)C=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020188948	0	34	-1.0	-45.71	337.58	6.20	-39.51
O=C(COC1=CC(Cl)=C(Cl)C=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020188948	1	34	-1.0	-45.71	337.65	6.20	-39.51
COC1=CC=C(C(=O)NCC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020188949	0	41	-1.0	-43.33	344.48	1.84	-41.49
COC1=CC=C(C(=O)NCC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020188949	1	41	-1.0	-43.36	344.55	1.86	-41.50
O=C(C1=CC(=O)NC2=CC=CC=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020188950	0	36	-1.0	-44.43	310.64	2.91	-41.52
O=C(C1=CC(=O)NC2=CC=CC=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020188950	1	36	-1.0	-44.43	310.71	2.93	-41.50
CCN(CC)S(=O)(=O)C1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1F	REAL300020188951	0	47	-1.0	-49.34	384.03	3.03	-46.31
CCN(CC)S(=O)(=O)C1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1F	REAL300020188951	1	47	-1.0	-49.29	384.10	3.03	-46.26
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CC1=CC=C(OCCC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020188953	0	40	-1.0	-43.11	332.00	5.08	-38.03
CC1=CC=C(OCCC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020188953	1	40	-1.0	-43.16	332.07	5.09	-38.07
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O=C(NC(CC1=CC=CC=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=CO1	REAL300020188955	1	47	-1.0	-52.68	387.92	6.17	-46.51
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O=C(NC(CC1=CC=CC=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=CS1	REAL300020188956	1	47	-1.0	-42.78	397.91	5.62	-37.16
CC1CC(C)CN(C2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2[N+](=O)[O-])C1	REAL300020188957	0	53	-1.0	-48.05	414.48	7.96	-40.09
CC1CC(C)CN(C2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2[N+](=O)[O-])C1	REAL300020188957	1	53	-1.0	-48.09	414.55	7.98	-40.11
COC1=CC=C(OCC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020188958	0	38	-1.0	-47.62	319.14	3.96	-43.66
COC1=CC=C(OCC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020188958	1	38	-1.0	-47.59	319.21	3.98	-43.61
O=C(CCC1=NC2=CC=CC=C2S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020188959	0	38	-1.0	-45.14	333.80	5.00	-40.14
O=C(CCC1=NC2=CC=CC=C2S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020188959	1	38	-1.0	-45.15	333.87	5.01	-40.14
O=C(COC1=CC=CC=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020188960	0	34	-1.0	-49.28	305.68	5.23	-44.05
O=C(COC1=CC=CC=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020188960	1	34	-1.0	-49.30	305.75	5.23	-44.07
O=C(C1=CC=CC=C1OCC1=CC=C(Cl)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020188961	0	44	-1.0	-48.26	381.14	8.30	-39.96
O=C(C1=CC=CC=C1OCC1=CC=C(Cl)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020188961	1	44	-1.0	-48.24	381.21	8.31	-39.93
O=C(C1=CC=CC=C1C1=CC=C(C(F)(F)F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020188962	0	43	-1.0	-45.55	370.36	8.18	-37.37
O=C(C1=CC=CC=C1C1=CC=C(C(F)(F)F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020188962	1	43	-1.0	-45.55	370.43	8.19	-37.36
CC1=CC=C(SCCC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1C	REAL300020188963	0	43	-1.0	-43.36	359.30	7.24	-36.12
CC1=CC=C(SCCC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1C	REAL300020188963	1	43	-1.0	-43.36	359.38	7.25	-36.11
COC(=O)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020188964	0	36	-1.0	-44.64	304.67	4.22	-40.42
COC(=O)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020188964	1	36	-1.0	-44.66	304.74	4.24	-40.42
O=C(C1=CC=C(COC2=CC=CC=C2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020188965	0	44	-1.0	-45.28	361.19	6.85	-38.43
O=C(C1=CC=C(COC2=CC=CC=C2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020188965	1	44	-1.0	-45.30	361.26	6.86	-38.44
O=C(C1=CC=CC(OCC2=CC=CC=C2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020188966	0	44	-1.0	-44.28	361.29	6.84	-37.44
O=C(C1=CC=CC(OCC2=CC=CC=C2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020188966	1	44	-1.0	-44.29	361.37	6.85	-37.44
CCOC1=CC=C(CC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020188967	0	40	-1.0	-45.61	332.08	5.00	-40.61
CCOC1=CC=C(CC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020188967	1	40	-1.0	-45.57	332.15	5.00	-40.57
CC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C(C)N1C1=CC=CC=C1C	REAL300020188968	0	47	-1.0	-45.28	376.39	8.54	-36.74
CC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C(C)N1C1=CC=CC=C1C	REAL300020188968	1	47	-1.0	-45.30	376.46	8.55	-36.75
CS(=O)(=O)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1[N+](=O)[O-]	REAL300020188969	0	38	-1.0	-46.03	326.20	2.17	-43.86
CS(=O)(=O)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1[N+](=O)[O-]	REAL300020188969	1	38	-1.0	-46.07	326.27	2.19	-43.88
CC(C)NC(=O)CSC1=CC=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020188970	0	47	-1.0	-56.68	393.21	4.74	-51.94
CC(C)NC(=O)CSC1=CC=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020188970	1	47	-1.0	-56.70	393.28	4.75	-51.95
COCCNC(=O)CSC1=CC=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020188971	0	48	-1.0	-56.75	406.18	3.01	-53.74
COCCNC(=O)CSC1=CC=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020188971	1	48	-1.0	-56.71	406.26	3.02	-53.69
CCOC1=CC=C(OCC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020188972	0	41	-1.0	-47.36	341.00	4.89	-42.47
CCOC1=CC=C(OCC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020188972	1	41	-1.0	-47.41	341.07	4.90	-42.51
CC1SC2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2NC1=O	REAL300020188973	0	39	-1.0	-45.47	330.53	3.22	-42.25
CC1SC2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2NC1=O	REAL300020188973	1	39	-1.0	-45.46	330.61	3.23	-42.23
O=C(COC1=CC=C2C=CC(=O)OC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020188974	0	39	-1.0	-58.68	337.34	6.19	-52.49
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COC1=CC(C=CC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1OCC#N	REAL300020188975	0	43	-1.0	-52.71	369.72	5.16	-47.55
COC1=CC(C=CC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1OCC#N	REAL300020188975	1	43	-1.0	-52.69	369.80	5.16	-47.53
O=C(CCC(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=C2OCCOC2=C1	REAL300020188976	0	44	-1.0	-45.66	366.78	4.56	-41.10
O=C(CCC(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=C2OCCOC2=C1	REAL300020188976	1	44	-1.0	-45.68	366.86	4.56	-41.12
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O=C(C1=NOC(C2=CC=C(Cl)C=C2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020188977	1	36	-1.0	-40.01	328.49	5.73	-34.28
NS(=O)(=O)C1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1Cl	REAL300020188978	0	35	-1.0	-49.06	316.81	-0.93	-49.99
NS(=O)(=O)C1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1Cl	REAL300020188978	1	35	-1.0	-49.09	316.88	-0.92	-50.01
CC(C)CC(C(=O)N1CCC(C2=N[N-]N=N2)C1)N1C(=O)C2=CC=CC=C2C1=O	REAL300020188979	0	49	-1.0	-51.35	393.99	7.50	-43.85
CC(C)CC(C(=O)N1CCC(C2=NN=N[N-]2)C1)N1C(=O)C2=CC=CC=C2C1=O	REAL300020188979	1	49	-1.0	-51.33	394.06	7.50	-43.83
CC1=CC(C)=CC(C(=O)NCC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020188980	0	43	-1.0	-43.14	357.89	3.87	-39.27
CC1=CC(C)=CC(C(=O)NCC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020188980	1	43	-1.0	-43.13	357.96	3.89	-39.24
O=C(CNC(=O)C1CCCCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020188981	0	43	-1.0	-41.50	340.86	2.80	-38.70
O=C(CNC(=O)C1CCCCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020188981	1	43	-1.0	-41.50	340.94	2.81	-38.69
CCOC1=CC=CC=C1C(=O)NCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020188982	0	44	-1.0	-46.30	364.26	4.02	-42.28
CCOC1=CC=CC=C1C(=O)NCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020188982	1	44	-1.0	-46.36	364.34	4.04	-42.32
O=C(CNC(=O)C1=CC=CS1)N1CCC(C2=N[N-]N=N2)C1	REAL300020188983	0	34	-1.0	-42.99	307.23	1.54	-41.45
O=C(CNC(=O)C1=CC=CS1)N1CCC(C2=NN=N[N-]2)C1	REAL300020188983	1	34	-1.0	-42.99	307.30	1.56	-41.43
O=C(C1=CC=C(COC2=CC=C(Cl)C=C2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020188984	0	44	-1.0	-45.03	378.05	7.36	-37.67
O=C(C1=CC=C(COC2=CC=C(Cl)C=C2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020188984	1	44	-1.0	-45.04	378.12	7.37	-37.67
O=C(CNC(=O)C1=CC=CC(F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020188985	0	37	-1.0	-43.20	321.49	2.62	-40.58
O=C(CNC(=O)C1=CC=CC(F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020188985	1	37	-1.0	-43.23	321.56	2.63	-40.60
O=C(C=CC1=CC=CC(Br)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020188986	0	34	-1.0	-44.06	311.19	5.86	-38.20
O=C(C=CC1=CC=CC(Br)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020188986	1	34	-1.0	-44.03	311.27	5.87	-38.16
CCOC1=CC=C(C(=O)NCC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1OCC	REAL300020188987	0	51	-1.0	-44.80	417.41	3.59	-41.21
CCOC1=CC=C(C(=O)NCC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1OCC	REAL300020188987	1	51	-1.0	-44.77	417.48	3.60	-41.17
CC1=NN(C2=CC=C(Cl)C(C(=O)N3CCC(C4=NN=N[N-]4)C3)=N2)C(C)=C1	REAL300020188988	0	42	-1.0	-43.34	372.82	6.10	-37.24
CC1=NN(C2=CC=C(Cl)C(C(=O)N3CCC(C4=N[N-]N=N4)C3)=N2)C(C)=C1	REAL300020188988	1	42	-1.0	-43.32	372.74	6.09	-37.23
CCN1N=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C2=CC=CC=C2C1=O	REAL300020188989	0	41	-1.0	-41.60	338.38	4.55	-37.05
CCN1N=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C2=CC=CC=C2C1=O	REAL300020188989	1	41	-1.0	-41.62	338.46	4.56	-37.06
O=C(CSC1=CC=C(Cl)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020188990	0	34	-1.0	-43.72	315.97	5.77	-37.95
O=C(CSC1=CC=C(Cl)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020188990	1	34	-1.0	-43.69	316.04	5.78	-37.91
O=C(CC1=CSC(C2=CC=CC=C2)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020188991	0	39	-1.0	-50.88	344.49	5.73	-45.15
O=C(CC1=CSC(C2=CC=CC=C2)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020188991	1	39	-1.0	-50.90	344.42	5.72	-45.18
O=C(C1=CC=C2NC3=C(CCCC3)C2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020188992	0	44	-1.0	-45.67	344.61	6.01	-39.66
O=C(C1=CC=C2NC3=C(CCCC3)C2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020188992	1	44	-1.0	-45.68	344.69	6.02	-39.66
O=C(CCOC1=CC=CC(Br)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020188993	0	37	-1.0	-41.69	331.90	5.02	-36.67
O=C(CCOC1=CC=CC(Br)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020188993	1	37	-1.0	-41.72	331.98	5.03	-36.69
CCN1C2=CC=CC=C2N=C1SCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020188994	0	43	-1.0	-45.12	372.03	6.78	-38.34
CCN1C2=CC=CC=C2N=C1SCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020188994	1	43	-1.0	-45.12	371.96	6.78	-38.34
O=C(C1=CC=C(N2CCCC2=O)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020188995	0	41	-1.0	-52.28	327.68	4.70	-47.58
O=C(C1=CC=C(N2CCCC2=O)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020188995	1	41	-1.0	-52.31	327.76	4.71	-47.60
CC1CCC2=C(C1)C1=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=CC=C1N2	REAL300020188996	0	47	-1.0	-45.14	365.74	6.64	-38.50
CC1CCC2=C(C1)C1=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=CC=C1N2	REAL300020188996	1	47	-1.0	-45.15	365.81	6.64	-38.51
CC(C)COC1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020188997	0	43	-1.0	-42.89	342.99	5.27	-37.62
CC(C)COC1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020188997	1	43	-1.0	-42.86	343.06	5.28	-37.58
O=C(C1=CC=C(C2CCCCC2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020188998	0	46	-1.0	-42.96	351.68	7.36	-35.60
O=C(C1=CC=C(C2CCCCC2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020188998	1	46	-1.0	-43.00	351.75	7.37	-35.63
CC(C)OCC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020188999	0	43	-1.0	-44.23	347.10	5.02	-39.21
CC(C)OCC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020188999	1	43	-1.0	-44.26	347.17	5.04	-39.22
CN1C(=O)NC(=O)C2=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=CN=C21	REAL300020189000	0	38	-1.0	-41.68	319.56	1.02	-40.66
CN1C(=O)NC(=O)C2=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=CN=C21	REAL300020189000	1	38	-1.0	-41.74	319.64	1.02	-40.72
O=C(C1=CC=C(N2CCCC2)C([N+](=O)[O-])=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189001	0	44	-1.0	-48.97	353.52	5.82	-43.15
O=C(C1=CC=C(N2CCCC2)C([N+](=O)[O-])=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189001	1	44	-1.0	-49.03	353.59	5.83	-43.20
CC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C(C)N1C1=CC=CC=C1	REAL300020189002	0	44	-1.0	-45.53	353.09	7.54	-37.99
CC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C(C)N1C1=CC=CC=C1	REAL300020189002	1	44	-1.0	-45.53	353.16	7.54	-37.99
CC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C(C)N1C1=CC=C(F)C=C1	REAL300020189003	0	44	-1.0	-44.43	362.76	7.73	-36.70
CC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C(C)N1C1=CC=C(F)C=C1	REAL300020189003	1	44	-1.0	-44.46	362.83	7.73	-36.73
O=C(C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189004	0	36	-1.0	-39.76	327.79	5.56	-34.20
O=C(C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189004	1	36	-1.0	-39.75	327.87	5.57	-34.18
O=C(C1=CC=C(OC(F)(F)F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189005	0	34	-1.0	-41.12	295.93	3.35	-37.77
O=C(C1=CC=C(OC(F)(F)F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189005	1	34	-1.0	-41.12	296.01	3.36	-37.76
O=C(C1=CC(C2=CC=CN=C2)=NC2=CC=CC=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020189006	0	44	-1.0	-44.77	364.37	5.99	-38.78
O=C(C1=CC(C2=CC=CN=C2)=NC2=CC=CC=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020189006	1	44	-1.0	-44.79	364.29	5.97	-38.82
O=C(C1=CC(C2=CC=CS2)=NC2=CC=CC=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020189007	0	42	-1.0	-43.10	362.16	6.82	-36.28
O=C(C1=CC(C2=CC=CS2)=NC2=CC=CC=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020189007	1	42	-1.0	-43.10	362.08	6.81	-36.29
CC1=NN(C2=CC=CC=C2)C2=C1C=C(C(=O)N1CCC(C3=N[N-]N=N3)C1)S2	REAL300020189008	0	43	-1.0	-44.28	371.29	6.83	-37.45
CC1=NN(C2=CC=CC=C2)C2=C1C=C(C(=O)N1CCC(C3=NN=N[N-]3)C1)S2	REAL300020189008	1	43	-1.0	-44.32	371.36	6.84	-37.48
O=C(C1=CC=C(S(=O)(=O)N2CCCC2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189009	0	45	-1.0	-46.95	371.93	2.70	-44.25
O=C(C1=CC=C(S(=O)(=O)N2CCCC2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189009	1	45	-1.0	-46.99	372.01	2.71	-44.28
O=C(C1=CC(C2=CC=C(F)C=C2)=NC2=CC=CC=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020189010	0	45	-1.0	-42.86	375.80	7.84	-35.02
O=C(C1=CC(C2=CC=C(F)C=C2)=NC2=CC=CC=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020189010	1	45	-1.0	-42.84	375.73	7.82	-35.02
O=C(CCC(=O)N1CC(=O)NC2=CC=CC=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020189011	0	45	-1.0	-47.06	371.33	3.26	-43.80
O=C(CCC(=O)N1CC(=O)NC2=CC=CC=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020189011	1	45	-1.0	-47.08	371.40	3.27	-43.81
CC(=O)NC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020189012	0	37	-1.0	-48.65	306.41	2.46	-46.19
CC(=O)NC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020189012	1	37	-1.0	-48.67	306.49	2.47	-46.20
O=C(CCCC1=CNC2=CC=CC=C12)N1CCC(C2=N[N-]N=N2)C1	REAL300020189013	0	43	-1.0	-48.63	355.54	6.41	-42.22
O=C(CCCC1=CNC2=CC=CC=C12)N1CCC(C2=NN=N[N-]2)C1	REAL300020189013	1	43	-1.0	-48.65	355.62	6.42	-42.23
O=C(C1=CC=CC(Br)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189014	0	30	-1.0	-41.30	271.35	4.18	-37.12
O=C(C1=CC=CC(Br)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189014	1	30	-1.0	-41.31	271.42	4.19	-37.12
O=C(CNC(=O)C1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189015	0	37	-1.0	-43.29	315.08	2.54	-40.75
O=C(CNC(=O)C1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189015	1	37	-1.0	-43.34	315.15	2.56	-40.78
O=C(C1=CC=C(Br)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189016	0	30	-1.0	-41.63	271.20	4.18	-37.45
O=C(C1=CC=C(Br)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189016	1	30	-1.0	-41.62	271.28	4.20	-37.42
CN(C)S(=O)(=O)C1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020189017	0	41	-1.0	-46.53	344.78	1.59	-44.94
CN(C)S(=O)(=O)C1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020189017	1	41	-1.0	-46.55	344.85	1.61	-44.94
O=C(CCNS(=O)(=O)C1=CC=CC=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020189018	0	41	-1.0	-52.33	355.20	0.87	-51.46
O=C(CCNS(=O)(=O)C1=CC=CC=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020189018	1	41	-1.0	-52.35	355.27	0.87	-51.48
CCCCCC1=CC=C(C(=O)CCC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020189019	0	53	-1.0	-42.45	429.73	9.17	-33.28
CCCCCC1=CC=C(C(=O)CCC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020189019	1	53	-1.0	-42.44	429.81	9.18	-33.26
CCOC(=O)C1=C(C)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C(C)N1	REAL300020189020	0	43	-1.0	-45.98	362.55	4.42	-41.56
CCOC(=O)C1=C(C)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C(C)N1	REAL300020189020	1	43	-1.0	-45.98	362.62	4.42	-41.56
COC1=CC(C=CC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1OC(F)F	REAL300020189021	0	42	-1.0	-47.02	358.26	4.74	-42.28
COC1=CC(C=CC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1OC(F)F	REAL300020189021	1	42	-1.0	-47.07	358.34	4.75	-42.32
CC(C)C(NC(=O)C1=C(F)C=CC=C1F)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189022	0	46	-1.0	-45.77	377.32	4.49	-41.28
CC(C)C(NC(=O)C1=C(F)C=CC=C1F)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189022	1	46	-1.0	-45.78	377.39	4.50	-41.28
CC(=O)C1=CC=C(OCCCC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020189023	0	45	-1.0	-52.10	374.69	5.66	-46.44
CC(=O)C1=CC=C(OCCCC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020189023	1	45	-1.0	-52.11	374.77	5.68	-46.43
O=C(C1=CC=CC(N2C(=O)C3=CC=CC=C3C2=O)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189024	0	44	-1.0	-46.74	363.06	6.22	-40.52
O=C(C1=CC=CC(N2C(=O)C3=CC=CC=C3C2=O)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189024	1	44	-1.0	-46.77	363.14	6.23	-40.54
COC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1OC(C)C	REAL300020189025	0	44	-1.0	-43.89	348.32	4.30	-39.59
COC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1OC(C)C	REAL300020189025	1	44	-1.0	-43.92	348.39	4.31	-39.61
COC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1OCCC(C)C	REAL300020189026	0	50	-1.0	-43.39	391.07	5.79	-37.60
COC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1OCCC(C)C	REAL300020189026	1	50	-1.0	-43.41	391.15	5.80	-37.61
CCCCCCOC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1OC	REAL300020189027	0	53	-1.0	-45.12	416.51	6.83	-38.29
CCCCCCOC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020189027	1	53	-1.0	-45.13	416.58	6.83	-38.30
COC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1OCC1=CC=CC=C1	REAL300020189028	0	48	-1.0	-45.02	390.42	6.75	-38.27
COC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1OCC1=CC=CC=C1	REAL300020189028	1	48	-1.0	-45.09	390.49	6.76	-38.33
O=C(CN1C(=O)COC2=CC=CC=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020189029	0	39	-1.0	-50.70	327.20	3.50	-47.20
O=C(CN1C(=O)COC2=CC=CC=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020189029	1	39	-1.0	-50.71	327.28	3.51	-47.20
O=C(CCNS(=O)(=O)C1=CC=CC=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020189030	0	41	-1.0	-50.55	358.60	1.17	-49.38
O=C(CCNS(=O)(=O)C1=CC=CC=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020189030	1	41	-1.0	-50.50	358.68	1.18	-49.32
CC1=CC(C)=C(S(=O)(=O)NCCC(=O)N2CCC(C3=N[N-]N=N3)C2)C(C)=C1	REAL300020189031	0	50	-1.0	-48.16	400.97	3.14	-45.02
CC1=CC(C)=C(S(=O)(=O)NCCC(=O)N2CCC(C3=NN=N[N-]3)C2)C(C)=C1	REAL300020189031	1	50	-1.0	-48.18	401.04	3.15	-45.03
O=C(C=CC1=CC=CC=C1)N1CCC(C(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020189032	0	51	-1.0	-49.53	406.36	7.25	-42.28
O=C(C=CC1=CC=CC=C1)N1CCC(C(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020189032	1	51	-1.0	-49.60	406.43	7.27	-42.33
O=C(CCCNS(=O)(=O)C1=CC=C(F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189033	0	44	-1.0	-50.32	384.77	1.98	-48.34
O=C(CCCNS(=O)(=O)C1=CC=C(F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189033	1	44	-1.0	-50.28	384.85	2.00	-48.28
CCC1=CC=CC=C1OCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189034	0	40	-1.0	-46.64	331.33	6.14	-40.50
CCC1=CC=CC=C1OCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189034	1	40	-1.0	-46.62	331.41	6.15	-40.47
O=C(COC1=CC=CC=C1CC1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189035	0	47	-1.0	-47.95	389.07	9.16	-38.79
O=C(COC1=CC=CC=C1CC1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189035	1	47	-1.0	-47.97	389.15	9.18	-38.79
COC1=CC(C=CC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1OC(C)C	REAL300020189036	0	48	-1.0	-46.48	388.27	6.00	-40.48
COC1=CC(C=CC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1OC(C)C	REAL300020189036	1	48	-1.0	-46.46	388.34	6.01	-40.45
O=C(C1CC(=O)N(CC2=CC=CC=C2Cl)C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189037	0	44	-1.0	-45.14	370.46	5.68	-39.46
O=C(C1CC(=O)N(CC2=CC=CC=C2Cl)C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189037	1	44	-1.0	-45.12	370.53	5.69	-39.43
CCC1=CC=CC=C1N1CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)CC1=O	REAL300020189038	0	47	-1.0	-54.12	377.50	6.83	-47.29
CCC1=CC=CC=C1N1CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)CC1=O	REAL300020189038	1	47	-1.0	-54.13	377.57	6.83	-47.30
CC1=CC(NC(=O)CSCC(=O)N2CCC(C3=N[N-]N=N3)C2)=NO1	REAL300020189039	0	40	-1.0	-54.48	354.83	3.60	-50.88
CC1=CC(NC(=O)CSCC(=O)N2CCC(C3=NN=N[N-]3)C2)=NO1	REAL300020189039	1	40	-1.0	-54.44	354.90	3.61	-50.83
CC(=O)C1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020189040	0	46	-1.0	-51.81	391.96	1.30	-50.51
CC(=O)C1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020189040	1	46	-1.0	-51.83	392.03	1.30	-50.53
CS(=O)(=O)C1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1Cl	REAL300020189041	0	36	-1.0	-45.66	320.46	1.49	-44.17
CS(=O)(=O)C1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1Cl	REAL300020189041	1	36	-1.0	-45.66	320.54	1.51	-44.15
CC1=CC=C(S(C)(=O)=O)C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189042	0	39	-1.0	-48.64	333.01	1.86	-46.78
CC1=CC=C(S(C)(=O)=O)C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189042	1	39	-1.0	-48.67	333.09	1.88	-46.79
COC1=CC=C(S(N)(=O)=O)C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189043	0	39	-1.0	-50.94	336.76	-1.22	-52.16
COC1=CC=C(S(N)(=O)=O)C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189043	1	39	-1.0	-50.97	336.84	-1.22	-52.19
CC(=O)C1=CC=CC(S(=O)(=O)NCC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020189044	0	43	-1.0	-56.39	375.31	0.84	-55.55
CC(=O)C1=CC=CC(S(=O)(=O)NCC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020189044	1	43	-1.0	-56.41	375.38	0.84	-55.57
N#CCCNS(=O)(=O)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020189045	0	42	-1.0	-54.32	368.50	1.08	-53.24
N#CCCNS(=O)(=O)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020189045	1	42	-1.0	-54.34	368.57	1.09	-53.25
CCN1N=NC2=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=CC=C21	REAL300020189046	0	38	-1.0	-44.65	315.71	2.87	-41.78
CCN1N=NC2=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=CC=C21	REAL300020189046	1	38	-1.0	-44.62	315.64	2.87	-41.75
CC(SC1=CC=CC=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189047	0	37	-1.0	-43.83	314.99	5.57	-38.26
CC(SC1=CC=CC=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189047	1	37	-1.0	-43.86	315.06	5.59	-38.27
COC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC(Cl)=C1OCC(C)C	REAL300020189048	0	47	-1.0	-42.19	392.10	5.83	-36.36
COC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC(Cl)=C1OCC(C)C	REAL300020189048	1	47	-1.0	-42.20	392.17	5.84	-36.36
CN(C)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1[N+](=O)[O-]	REAL300020189049	0	40	-1.0	-49.00	330.28	4.81	-44.19
CN(C)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1[N+](=O)[O-]	REAL300020189049	1	40	-1.0	-48.97	330.35	4.83	-44.14
CC1=CC=C(NC(=O)CSCC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020189050	0	44	-1.0	-55.85	380.18	5.10	-50.75
CC1=CC=C(NC(=O)CSCC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020189050	1	44	-1.0	-55.82	380.25	5.10	-50.72
O=C(CCC(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=C2OCCCOC2=C1	REAL300020189051	0	47	-1.0	-45.62	385.11	5.36	-40.26
O=C(CCC(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=C2OCCCOC2=C1	REAL300020189051	1	47	-1.0	-45.60	385.19	5.37	-40.23
CCOC1=CC(C=CC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1OC(F)F	REAL300020189052	0	45	-1.0	-46.82	380.12	5.66	-41.16
CCOC1=CC(C=CC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1OC(F)F	REAL300020189052	1	45	-1.0	-46.82	380.19	5.67	-41.15
CC(SCC(=O)NC1=CC=C(F)C=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189053	0	44	-1.0	-55.52	379.40	4.88	-50.64
CC(SCC(=O)NC1=CC=C(F)C=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189053	1	44	-1.0	-55.51	379.47	4.90	-50.61
O=C(C1=CC=C(COC2=CC=CC=C2)O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189054	0	41	-1.0	-43.45	349.12	5.50	-37.95
O=C(C1=CC=C(COC2=CC=CC=C2)O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189054	1	41	-1.0	-43.42	349.19	5.52	-37.90
CCCCOC1=C(Cl)C=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1OC	REAL300020189055	0	47	-1.0	-42.09	393.49	5.94	-36.15
CCCCOC1=C(Cl)C=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020189055	1	47	-1.0	-42.03	393.57	5.95	-36.08
CC1=CC(NC(=O)C(C)SCC(=O)N2CCC(C3=N[N-]N=N3)C2)=NO1	REAL300020189056	0	43	-1.0	-53.65	373.27	4.17	-49.48
CC1=CC(NC(=O)C(C)SCC(=O)N2CCC(C3=NN=N[N-]3)C2)=NO1	REAL300020189056	1	43	-1.0	-53.66	373.35	4.18	-49.48
CC1=CC=C(NC(=O)CSC(C)C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020189057	0	47	-1.0	-55.27	394.38	5.49	-49.78
CC1=CC=C(NC(=O)CSC(C)C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020189057	1	47	-1.0	-55.27	394.46	5.51	-49.76
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189058	0	37	-2.0	-93.03	323.17	0.65	-92.38
CS(=O)(=O)[N-]C1=CC=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189058	1	37	-2.0	-93.03	323.24	0.66	-92.37
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O=C(C1=CC=C(CS(=O)(=O)C2=CC=CC=C2)O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189059	1	43	-1.0	-51.22	379.97	3.68	-47.54
O=C(CNS(=O)(=O)C1=CC=C(F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189060	0	38	-1.0	-48.26	341.24	0.50	-47.76
O=C(CNS(=O)(=O)C1=CC=C(F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189060	1	38	-1.0	-48.24	341.31	0.52	-47.72
O=C(CCNS(=O)(=O)C1=CC=C(F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189061	0	41	-1.0	-48.65	363.28	1.18	-47.47
O=C(CCNS(=O)(=O)C1=CC=C(F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189061	1	41	-1.0	-48.71	363.36	1.19	-47.52
CC1=CC=CC=C1C(=O)NC(C(=O)N1CCC(C2=N[N-]N=N2)C1)C(C)C	REAL300020189062	0	49	-1.0	-41.00	379.82	5.34	-35.66
CC1=CC=CC=C1C(=O)NC(C(=O)N1CCC(C2=NN=N[N-]2)C1)C(C)C	REAL300020189062	1	49	-1.0	-41.01	379.89	5.35	-35.66
CC(C)[C@H](NS(=O)(=O)C1=CC=CC=C1F)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189063	0	47	-1.0	-48.76	386.11	2.52	-46.24
CC(C)[C@H](NS(=O)(=O)C1=CC=CC=C1F)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189063	1	47	-1.0	-48.75	386.19	2.53	-46.22
CC1=CC(C)=C(C)C(S(=O)(=O)NCC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1C	REAL300020189064	0	50	-1.0	-47.26	391.89	2.87	-44.39
CC1=CC(C)=C(C)C(S(=O)(=O)NCC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1C	REAL300020189064	1	50	-1.0	-47.22	391.97	2.88	-44.34
O=C(CNS(=O)(=O)C1=CC=CC=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020189065	0	38	-1.0	-47.73	333.15	0.20	-47.53
O=C(CNS(=O)(=O)C1=CC=CC=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020189065	1	38	-1.0	-47.71	333.22	0.21	-47.50
C[C@H](NS(=O)(=O)C1=CC=CC=C1F)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189066	0	41	-1.0	-41.08	358.56	1.00	-40.08
C[C@H](NS(=O)(=O)C1=CC=CC=C1F)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189066	1	41	-1.0	-41.10	358.64	1.00	-40.10
CCCOC1=CC=C(C=CC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1OCC	REAL300020189067	0	51	-1.0	-46.10	413.72	7.10	-39.00
CCCOC1=CC=C(C=CC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1OCC	REAL300020189067	1	51	-1.0	-46.15	413.79	7.11	-39.04
O=C(CN1C2=CC=CC=C2N=C1C(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020189068	0	39	-1.0	-48.82	345.63	5.84	-42.98
O=C(CN1C2=CC=CC=C2N=C1C(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020189068	1	39	-1.0	-48.82	345.55	5.83	-42.99
CCC1=CC=C(C(=O)CCC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020189069	0	44	-1.0	-42.60	365.24	6.83	-35.77
CCC1=CC=C(C(=O)CCC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020189069	1	44	-1.0	-42.59	365.31	6.84	-35.75
CCOC1=CC=C(C(=O)CCC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1OCC	REAL300020189070	0	52	-1.0	-45.20	424.63	6.46	-38.74
CCOC1=CC=C(C(=O)CCC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1OCC	REAL300020189070	1	52	-1.0	-45.21	424.70	6.46	-38.75
CC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1[N+](=O)[O-]	REAL300020189071	0	35	-1.0	-48.75	294.09	4.76	-43.99
CC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1[N+](=O)[O-]	REAL300020189071	1	35	-1.0	-48.75	294.16	4.77	-43.98
COC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC(OC)=C1C	REAL300020189072	0	41	-1.0	-41.69	331.62	3.15	-38.54
COC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC(OC)=C1C	REAL300020189072	1	41	-1.0	-41.69	331.69	3.15	-38.54
O=C(CCNC(=O)C1=CC=C([N+](=O)[O-])C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189073	0	42	-1.0	-54.19	365.39	3.88	-50.31
O=C(CCNC(=O)C1=CC=C([N+](=O)[O-])C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189073	1	42	-1.0	-54.18	365.46	3.89	-50.29
CC(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189074	0	47	-1.0	-54.59	372.43	4.70	-49.89
CC(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189074	1	47	-1.0	-54.65	372.51	4.71	-49.94
COC1=CC=C(CCC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1OC	REAL300020189075	0	44	-1.0	-45.85	360.87	4.78	-41.07
COC1=CC=C(CCC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020189075	1	44	-1.0	-45.89	360.94	4.78	-41.11
O=C(CCNC(=O)C12CC3CC(CC(C3)C1)C2)N1CCC(C2=N[N-]N=N2)C1	REAL300020189076	0	54	-1.0	-51.81	402.01	5.14	-46.67
O=C(CCNC(=O)C12CC3CC(CC(C3)C1)C2)N1CCC(C2=NN=N[N-]2)C1	REAL300020189076	1	54	-1.0	-51.85	402.09	5.15	-46.70
O=C(CCNS(=O)(=O)C1=CC=CS1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189077	0	38	-1.0	-50.15	348.80	0.13	-50.02
O=C(CCNS(=O)(=O)C1=CC=CS1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189077	1	38	-1.0	-50.16	348.87	0.13	-50.03
O=C(C1=CC=C(NS(=O)(=O)C2=CC=CC=C2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189078	0	45	-1.0	-47.59	385.00	3.37	-44.22
O=C(C1=CC=C(NS(=O)(=O)C2=CC=CC=C2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189078	1	45	-1.0	-47.67	385.07	3.39	-44.28
O=C(C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189078	1	44	-2.0	-90.18	378.27	3.51	-86.67
O=C(C1=CC=C([N-]S(=O)(=O)C2=CC=CC=C2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189078	1	44	-2.0	-90.16	378.34	3.53	-86.63
O=C(CNS(=O)(=O)C1=CC2=CC=CC=C2C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189079	0	44	-1.0	-49.21	380.77	2.73	-46.48
O=C(CNS(=O)(=O)C1=CC2=CC=CC=C2C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189079	1	44	-1.0	-49.18	380.85	2.73	-46.45
CC1CCCCC12NC(=O)N(CC(=O)N1CCC(C3=N[N-]N=N3)C1)C2=O	REAL300020189080	0	48	-1.0	-49.68	378.40	3.56	-46.12
CC1CCCCC12NC(=O)N(CC(=O)N1CCC(C3=NN=N[N-]3)C1)C2=O	REAL300020189080	1	48	-1.0	-49.66	378.48	3.58	-46.08
O=C(C[N-]S(=O)(=O)C1=C(F)C=CC=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020189081	0	37	-2.0	-102.20	342.11	0.33	-101.87
O=C(C[N-]S(=O)(=O)C1=C(F)C=CC=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020189081	1	37	-2.0	-102.19	342.19	0.34	-101.85
O=C(CNS(=O)(=O)C1=C(F)C=CC=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020189081	1	38	-1.0	-51.24	343.32	0.72	-50.52
O=C(CNS(=O)(=O)C1=C(F)C=CC=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020189081	1	38	-1.0	-51.23	343.40	0.74	-50.49
O=C(C1=CC=CC(NS(=O)(=O)C2=CC=CC=C2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189082	0	45	-1.0	-46.62	381.06	3.51	-43.11
O=C(C1=CC=CC(NS(=O)(=O)C2=CC=CC=C2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189082	1	45	-1.0	-46.63	381.13	3.52	-43.11
O=C(C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189082	1	44	-2.0	-89.12	378.59	3.51	-85.61
O=C(C1=CC=CC([N-]S(=O)(=O)C2=CC=CC=C2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189082	1	44	-2.0	-89.16	378.66	3.53	-85.63
CC1=CC=C(OC(C)C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020189083	0	40	-1.0	-38.26	324.52	5.74	-32.52
CC1=CC=C(OC(C)C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020189083	1	40	-1.0	-38.26	324.59	5.75	-32.51
CC1=CC=CC(OC(C)C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020189084	0	40	-1.0	-46.12	324.80	5.75	-40.37
CC1=CC=CC(OC(C)C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020189084	1	40	-1.0	-46.16	324.87	5.76	-40.40
NC(=O)C1=CC=C(SCC(=O)N2CCC(C3=N[N-]N=N3)C2)C([N+](=O)[O-])=C1	REAL300020189085	0	40	-1.0	-60.52	357.14	2.55	-57.97
NC(=O)C1=CC=C(SCC(=O)N2CCC(C3=NN=N[N-]3)C2)C([N+](=O)[O-])=C1	REAL300020189085	1	40	-1.0	-60.57	357.21	2.56	-58.01
CC(C)CN1N=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C2=CC=CC=C2C1=O	REAL300020189086	0	47	-1.0	-41.17	374.54	6.03	-35.14
CC(C)CN1N=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C2=CC=CC=C2C1=O	REAL300020189086	1	47	-1.0	-41.16	374.62	6.04	-35.12
CCCCCN1N=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C2=CC=CC=C2C1=O	REAL300020189087	0	50	-1.0	-41.16	402.88	6.86	-34.30
CCCCCN1N=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C2=CC=CC=C2C1=O	REAL300020189087	1	50	-1.0	-41.19	402.95	6.87	-34.32
O=C(C1CC(=O)N(C2=CC=C3OCCOC3=C2)C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189088	0	47	-1.0	-49.81	376.55	4.02	-45.79
O=C(C1CC(=O)N(C2=CC=C3OCCOC3=C2)C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189088	1	47	-1.0	-49.79	376.62	4.03	-45.76
CCOC1=CC=CC=C1N1CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)CC1=O	REAL300020189089	0	48	-1.0	-54.83	394.15	5.56	-49.27
CCOC1=CC=CC=C1N1CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)CC1=O	REAL300020189089	1	48	-1.0	-54.88	394.22	5.57	-49.31
CNC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1[N+](=O)[O-]	REAL300020189090	0	37	-1.0	-49.31	307.60	3.24	-46.07
CNC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1[N+](=O)[O-]	REAL300020189090	1	37	-1.0	-49.31	307.67	3.24	-46.07
CC(C)C1=CC=C(C=CC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020189091	0	43	-1.0	-43.27	350.03	7.15	-36.12
CC(C)C1=CC=C(C=CC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020189091	1	43	-1.0	-43.34	350.10	7.16	-36.18
O=C(CCC(=O)N1CCC(C2=CC=CC=C2)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189092	0	47	-1.0	-47.79	393.37	5.88	-41.91
O=C(CCC(=O)N1CCC(C2=CC=CC=C2)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189092	1	47	-1.0	-47.83	393.45	5.88	-41.95
O=C(NC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1)C1CC1	REAL300020189093	0	41	-1.0	-50.63	336.84	4.04	-46.59
O=C(NC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1)C1CC1	REAL300020189093	1	41	-1.0	-50.69	336.91	4.05	-46.64
CC1=CC=C(S(N)(=O)=O)C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189094	0	38	-1.0	-48.82	326.57	-0.73	-49.55
CC1=CC=C(S(N)(=O)=O)C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189094	1	38	-1.0	-48.86	326.65	-0.71	-49.57
NS(=O)(=O)C1=CC=C(F)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020189095	0	35	-1.0	-49.16	313.95	-1.26	-50.42
NS(=O)(=O)C1=CC=C(F)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020189095	1	35	-1.0	-49.19	314.02	-1.25	-50.44
CC1=CC=C(S(=O)(=O)NCCCC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1C	REAL300020189096	0	50	-1.0	-50.82	416.80	3.13	-47.69
CC1=CC=C(S(=O)(=O)NCCCC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1C	REAL300020189096	1	50	-1.0	-50.86	416.87	3.14	-47.72
O=C(C=CC1=CC=C(Cl)C(C(F)(F)F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189097	0	37	-1.0	-44.84	341.70	6.66	-38.18
O=C(C=CC1=CC=C(Cl)C(C(F)(F)F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189097	1	37	-1.0	-44.82	341.78	6.66	-38.16
CCOC1=C(Cl)C=C(C=CC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1OC	REAL300020189098	0	45	-1.0	-44.38	390.36	6.06	-38.32
CCOC1=C(Cl)C=C(C=CC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020189098	1	45	-1.0	-44.41	390.43	6.06	-38.35
CCCOC1=C(Cl)C=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1OC	REAL300020189099	0	44	-1.0	-42.23	371.99	5.16	-37.07
CCCOC1=C(Cl)C=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020189099	1	44	-1.0	-42.26	372.07	5.17	-37.09
COC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC(Cl)=C1OCCC(C)C	REAL300020189100	0	50	-1.0	-41.98	411.06	6.45	-35.53
COC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC(Cl)=C1OCCC(C)C	REAL300020189100	1	50	-1.0	-42.02	411.13	6.47	-35.55
CCCCOC1=C(Cl)C=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1OCC	REAL300020189101	0	50	-1.0	-40.67	415.19	6.86	-33.81
CCCCOC1=C(Cl)C=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1OCC	REAL300020189101	1	50	-1.0	-40.72	415.26	6.87	-33.85
CC(=O)C1=CC=C(S(=O)(=O)NCC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020189102	0	43	-1.0	-53.53	377.58	0.92	-52.61
CC(=O)C1=CC=C(S(=O)(=O)NCC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020189102	1	43	-1.0	-53.56	377.65	0.94	-52.62
O=C(C=CC1=CC=C(Br)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189103	0	31	-1.0	-41.84	301.67	5.05	-36.79
O=C(C=CC1=CC=C(Br)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189103	1	31	-1.0	-41.85	301.74	5.06	-36.79
O=C(CNS(=O)(=O)C1=CC=CC(F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189104	0	38	-1.0	-49.75	341.22	0.52	-49.23
O=C(CNS(=O)(=O)C1=CC=CC(F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189104	1	38	-1.0	-49.79	341.29	0.53	-49.26
O=C(CN1C=CC(C(F)(F)F)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189105	0	33	-1.0	-53.96	302.18	3.13	-50.83
O=C(CN1C=CC(C(F)(F)F)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189105	1	33	-1.0	-53.98	302.11	3.13	-50.85
CC1=CC=C(C)N1C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020189106	0	44	-1.0	-42.79	357.87	7.60	-35.19
CC1=CC=C(C)N1C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020189106	1	44	-1.0	-42.86	357.94	7.62	-35.24
COC1=CC=CC=C1CCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189107	0	40	-1.0	-44.60	330.44	4.94	-39.66
COC1=CC=CC=C1CCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189107	1	40	-1.0	-44.61	330.51	4.94	-39.67
CCC1=CC=C(N2CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)CC2=O)C=C1	REAL300020189108	0	47	-1.0	-53.61	377.52	6.40	-47.21
CCC1=CC=C(N2CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)CC2=O)C=C1	REAL300020189108	1	47	-1.0	-53.61	377.59	6.42	-47.19
O=C(COC(C1=CC=CC=C1)C1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189109	0	47	-1.0	-48.99	393.58	9.00	-39.99
O=C(COC(C1=CC=CC=C1)C1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189109	1	47	-1.0	-48.96	393.66	9.00	-39.96
O=C(CSCC1=CC=CS1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189110	0	34	-1.0	-45.84	315.39	5.25	-40.59
O=C(CSCC1=CC=CS1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189110	1	34	-1.0	-45.84	315.46	5.25	-40.59
O=C(CCNC(=O)NC12CC3CC(CC(C3)C1)C2)N1CCC(C2=N[N-]N=N2)C1	REAL300020189111	0	56	-1.0	-53.04	413.44	3.82	-49.22
O=C(CCNC(=O)NC12CC3CC(CC(C3)C1)C2)N1CCC(C2=NN=N[N-]2)C1	REAL300020189111	1	56	-1.0	-53.08	413.52	3.83	-49.25
CC1=CC=CC(N2N=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)CCC2=O)=C1	REAL300020189112	0	44	-1.0	-41.70	363.25	5.50	-36.20
CC1=CC=CC(N2N=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)CCC2=O)=C1	REAL300020189112	1	44	-1.0	-41.72	363.32	5.51	-36.21
O=C(C=CC1=CC=C(Br)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189113	0	34	-1.0	-43.00	311.17	5.85	-37.15
O=C(C=CC1=CC=C(Br)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189113	1	34	-1.0	-43.00	311.25	5.87	-37.13
O=C(CCSC1=CC=C(F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189114	0	37	-1.0	-42.56	327.32	6.10	-36.46
O=C(CCSC1=CC=C(F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189114	1	37	-1.0	-42.56	327.40	6.11	-36.45
O=C(CN1C(=O)NC2(CCC3=CC=CC=C32)C1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189115	0	46	-1.0	-53.91	384.97	3.97	-49.94
O=C(CN1C(=O)NC2(CCC3=CC=CC=C32)C1=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189115	1	46	-1.0	-53.95	385.04	3.98	-49.97
CC1=CC=C(SCC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020189116	0	37	-1.0	-44.57	320.66	5.92	-38.65
CC1=CC=C(SCC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020189116	1	37	-1.0	-44.58	320.73	5.94	-38.64
CC1=CC=C(SCC(=O)N2CCC(C3=N[N-]N=N3)C2)C(C)=C1	REAL300020189117	0	40	-1.0	-44.42	339.16	6.49	-37.93
CC1=CC=C(SCC(=O)N2CCC(C3=NN=N[N-]3)C2)C(C)=C1	REAL300020189117	1	40	-1.0	-44.43	339.23	6.50	-37.93
O=C(C1=CC2=C(CCCC2=O)NC1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189118	0	39	-1.0	-59.39	329.97	2.43	-56.96
O=C(C1=CC2=C(CCCC2=O)NC1=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189118	1	39	-1.0	-59.41	330.04	2.44	-56.97
NS(=O)(=O)C1=CC=C2C(=C1)OC(=O)N2CC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189119	0	41	-1.0	-55.57	368.32	-0.42	-55.99
NS(=O)(=O)C1=CC=C2C(=C1)OC(=O)N2CC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189119	1	41	-1.0	-55.56	368.39	-0.41	-55.97
CC1=CC=C2C(=O)N(CC(=O)N3CCC(C4=N[N-]N=N4)C3)C(=O)C2=C1	REAL300020189120	0	40	-1.0	-51.72	347.32	4.58	-47.14
CC1=CC=C2C(=O)N(CC(=O)N3CCC(C4=NN=N[N-]4)C3)C(=O)C2=C1	REAL300020189120	1	40	-1.0	-51.73	347.39	4.60	-47.13
O=C(C1=C(N2C=NN=N2)C=CS1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189121	0	32	-1.0	-56.39	284.16	3.28	-53.11
O=C(C1=C(N2C=NN=N2)C=CS1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189121	1	32	-1.0	-56.40	284.08	3.28	-53.12
CC1=CC=C(S(=O)(=O)N(C)C)C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189122	0	44	-1.0	-46.98	367.81	2.31	-44.67
CC1=CC=C(S(=O)(=O)N(C)C)C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189122	1	44	-1.0	-46.96	367.89	2.31	-44.65
COC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1S(=O)(=O)N(C)C	REAL300020189123	0	45	-1.0	-52.76	368.52	1.45	-51.31
COC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1S(=O)(=O)N(C)C	REAL300020189123	1	45	-1.0	-52.76	368.59	1.45	-51.31
C=CCNS(=O)(=O)C1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020189124	0	42	-1.0	-46.41	360.49	1.12	-45.29
C=CCNS(=O)(=O)C1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020189124	1	42	-1.0	-46.40	360.56	1.13	-45.27
NS(=O)(=O)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020189125	0	35	-1.0	-48.51	304.10	-1.48	-49.99
NS(=O)(=O)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020189125	1	35	-1.0	-48.49	304.17	-1.46	-49.95
CNS(=O)(=O)C1=CC=C(Cl)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020189126	0	38	-1.0	-46.88	344.99	0.38	-46.50
CNS(=O)(=O)C1=CC=C(Cl)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020189126	1	38	-1.0	-46.88	345.06	0.39	-46.49
CN(C)S(=O)(=O)C1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1Cl	REAL300020189127	0	41	-1.0	-43.56	350.10	1.81	-41.75
CN(C)S(=O)(=O)C1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1Cl	REAL300020189127	1	41	-1.0	-43.57	350.17	1.82	-41.75
CC(C)(C)NS(=O)(=O)C1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020189128	0	47	-1.0	-49.73	373.77	1.54	-48.19
CC(C)(C)NS(=O)(=O)C1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020189128	1	47	-1.0	-49.74	373.84	1.55	-48.19
CCNS(=O)(=O)C1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020189129	0	41	-1.0	-46.57	347.68	0.57	-46.00
CCNS(=O)(=O)C1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020189129	1	41	-1.0	-46.59	347.75	0.59	-46.00
CC(C)NS(=O)(=O)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020189130	0	44	-1.0	-47.19	364.87	1.15	-46.04
CC(C)NS(=O)(=O)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020189130	1	44	-1.0	-47.16	364.94	1.16	-46.00
CC(C)(C)NS(=O)(=O)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020189131	0	47	-1.0	-46.40	372.30	1.60	-44.80
CC(C)(C)NS(=O)(=O)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020189131	1	47	-1.0	-46.42	372.38	1.62	-44.80
COC1=CC=C(S(=O)(=O)CCC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020189132	0	43	-1.0	-48.66	370.88	1.89	-46.77
COC1=CC=C(S(=O)(=O)CCC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020189132	1	43	-1.0	-48.68	370.96	1.91	-46.77
O=C(CCS(=O)(=O)C1=CC=C2OCCOC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189133	0	45	-1.0	-50.58	385.89	1.75	-48.83
O=C(CCS(=O)(=O)C1=CC=C2OCCOC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189133	1	45	-1.0	-50.58	385.97	1.76	-48.82
CC(OC1=CC=C(C#N)C=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189134	0	38	-1.0	-39.04	323.90	5.47	-33.57
CC(OC1=CC=C(C#N)C=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189134	1	38	-1.0	-39.09	323.98	5.48	-33.61
CCOC(=O)C1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC([N+](=O)[O-])=C1	REAL300020189135	0	41	-1.0	-42.00	354.70	5.81	-36.19
CCOC(=O)C1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC([N+](=O)[O-])=C1	REAL300020189135	1	41	-1.0	-41.99	354.77	5.82	-36.17
CNS(=O)(=O)C1=CC(C=CC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1OC	REAL300020189136	0	46	-1.0	-52.79	394.38	1.24	-51.55
CNS(=O)(=O)C1=CC(C=CC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1OC	REAL300020189136	1	46	-1.0	-52.78	394.45	1.26	-51.52
O=C(CCC(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=C2CCCCC2=C1	REAL300020189137	0	48	-1.0	-42.92	385.08	7.88	-35.04
O=C(CCC(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=C2CCCCC2=C1	REAL300020189137	1	48	-1.0	-42.92	385.16	7.89	-35.03
CN1C=NC2=C1C(=O)N(CC(=O)N1CCC(C3=N[N-]N=N3)C1)C(=O)N2C	REAL300020189138	0	42	-1.0	-55.12	354.60	5.08	-50.04
CN1C=NC2=C1C(=O)N(CC(=O)N1CCC(C3=NN=N[N-]3)C1)C(=O)N2C	REAL300020189138	1	42	-1.0	-55.17	354.68	5.08	-50.09
CC(OC1=CC=C(F)C=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189139	0	37	-1.0	-37.21	309.52	5.13	-32.08
CC(OC1=CC=C(F)C=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189139	1	37	-1.0	-37.19	309.60	5.14	-32.05
O=C(CCNS(=O)(=O)C1=CC=C(F)C(F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189140	0	41	-1.0	-48.68	369.58	1.23	-47.45
O=C(CCNS(=O)(=O)C1=CC=C(F)C(F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189140	1	41	-1.0	-48.72	369.65	1.25	-47.47
O=C(CCC(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=C2CCCC2=C1	REAL300020189141	0	45	-1.0	-43.25	367.93	7.29	-35.96
O=C(CCC(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=C2CCCC2=C1	REAL300020189141	1	45	-1.0	-43.27	368.00	7.31	-35.96
O=C(C1=NN(C2CCS(=O)(=O)C2)C(=O)CC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189142	0	44	-1.0	-48.21	367.88	0.31	-47.90
O=C(C1=NN(C2CCS(=O)(=O)C2)C(=O)CC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189142	1	44	-1.0	-48.23	367.96	0.32	-47.91
O=C(C=CC1=CC=C(C(F)(F)F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189143	0	37	-1.0	-43.53	328.58	6.23	-37.30
O=C(C=CC1=CC=C(C(F)(F)F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189143	1	37	-1.0	-43.55	328.65	6.25	-37.30
CC(C)(C)C1=CC(CCC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC(C(C)(C)C)=C1O	REAL300020189144	0	61	-1.0	-42.68	452.67	8.27	-34.41
CC(C)(C)C1=CC(CCC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC(C(C)(C)C)=C1O	REAL300020189144	1	61	-1.0	-42.73	452.74	8.29	-34.44
CCC1(CC)NC(=O)N(CC(=O)N2CCC(C3=N[N-]N=N3)C2)C1=O	REAL300020189145	0	44	-1.0	-50.72	357.75	2.45	-48.27
CCC1(CC)NC(=O)N(CC(=O)N2CCC(C3=NN=N[N-]3)C2)C1=O	REAL300020189145	1	44	-1.0	-50.71	357.82	2.46	-48.25
CCOC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC(Cl)=C1O	REAL300020189146	0	38	-1.0	-41.84	328.08	2.16	-39.68
CCOC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC(Cl)=C1O	REAL300020189146	1	38	-1.0	-41.87	328.15	2.17	-39.70
CCOC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC(Cl)=C1[O-]	REAL300020189146	1	37	-2.0	-86.15	324.51	3.08	-83.07
CCOC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC(Cl)=C1[O-]	REAL300020189146	1	37	-2.0	-86.17	324.58	3.10	-83.07
CC1=CC=C(C)C(N2N=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)CCC2=O)=C1	REAL300020189147	0	47	-1.0	-42.06	376.21	6.27	-35.79
CC1=CC=C(C)C(N2N=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)CCC2=O)=C1	REAL300020189147	1	47	-1.0	-42.12	376.28	6.28	-35.84
CCN1C(SCC(=O)N2CCC(C3=N[N-]N=N3)C2)=NN=C1C1=CC=CO1	REAL300020189148	0	43	-1.0	-46.70	379.63	6.27	-40.43
CCN1C(SCC(=O)N2CCC(C3=NN=N[N-]3)C2)=NN=C1C1=CC=CO1	REAL300020189148	1	43	-1.0	-46.70	379.70	6.27	-40.43
CCN1C(SCC(=O)N2CCC(C3=N[N-]N=N3)C2)=NN=C1C1=CC=CS1	REAL300020189149	0	43	-1.0	-46.02	386.14	7.00	-39.02
CCN1C(SCC(=O)N2CCC(C3=NN=N[N-]3)C2)=NN=C1C1=CC=CS1	REAL300020189149	1	43	-1.0	-46.04	386.22	7.01	-39.03
CSCCC(NC(=O)C1=CC=CO1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189150	0	44	-1.0	-43.23	376.82	3.06	-40.17
CSCCC(NC(=O)C1=CC=CO1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189150	1	44	-1.0	-43.24	376.90	3.07	-40.17
O=C(C1=CC=C2C(=O)N(CC3=CC=CO3)C(=O)C2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189151	0	44	-1.0	-44.72	378.38	4.97	-39.75
O=C(C1=CC=C2C(=O)N(CC3=CC=CO3)C(=O)C2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189151	1	44	-1.0	-44.74	378.46	4.98	-39.76
O=C(CSCC(=O)N1CCOCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189152	0	42	-1.0	-55.03	353.55	2.31	-52.72
O=C(CSCC(=O)N1CCOCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189152	1	42	-1.0	-55.05	353.63	2.32	-52.73
O=C(CCNS(=O)(=O)C1=CC=CC(Cl)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189153	0	41	-1.0	-48.12	373.63	1.62	-46.50
O=C(CCNS(=O)(=O)C1=CC=CC(Cl)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189153	1	41	-1.0	-48.18	373.70	1.64	-46.54
CC(OC1=CC=C(C(C)(C)C)C=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189154	0	49	-1.0	-37.88	378.73	7.35	-30.53
CC(OC1=CC=C(C(C)(C)C)C=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189154	1	49	-1.0	-37.89	378.81	7.36	-30.53
O=C(NCC1=CC=CC=C1)NC1(C(=O)N2CCC(C3=N[N-]N=N3)C2)CCCC1	REAL300020189155	0	52	-1.0	-52.73	407.85	4.50	-48.23
O=C(NCC1=CC=CC=C1)NC1(C(=O)N2CCC(C3=NN=N[N-]3)C2)CCCC1	REAL300020189155	1	52	-1.0	-52.78	407.92	4.53	-48.25
CC1=NN=C(SCC(=O)N2CCC(C3=N[N-]N=N3)C2)N1CC1=CC=CC=C1	REAL300020189156	0	46	-1.0	-47.67	396.02	8.03	-39.64
CC1=NN=C(SCC(=O)N2CCC(C3=NN=N[N-]3)C2)N1CC1=CC=CC=C1	REAL300020189156	1	46	-1.0	-47.69	396.10	8.04	-39.65
CC(NC(=O)C1=CC=CC([N+](=O)[O-])=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189157	0	42	-1.0	-46.08	361.34	3.82	-42.26
CC(NC(=O)C1=CC=CC([N+](=O)[O-])=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189157	1	42	-1.0	-46.07	361.41	3.83	-42.24
CC1=CC=CC(C(=O)NC(C)C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020189158	0	43	-1.0	-43.08	354.55	3.83	-39.25
CC1=CC=CC(C(=O)NC(C)C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020189158	1	43	-1.0	-43.02	354.62	3.83	-39.19
CC(OC1=CC=C(Br)C=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189159	0	37	-1.0	-36.83	324.41	5.68	-31.15
CC(OC1=CC=C(Br)C=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189159	1	37	-1.0	-36.83	324.48	5.70	-31.13
O=C(CC12CC3CC(CC(C3)C1)C2)NCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189160	0	54	-1.0	-41.13	394.63	5.14	-35.99
O=C(CC12CC3CC(CC(C3)C1)C2)NCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189160	1	54	-1.0	-41.16	394.70	5.14	-36.02
CC1CC2(CC(C)(C)C1)NC(=O)N(CC(=O)N1CCC(C3=N[N-]N=N3)C1)C2=O	REAL300020189161	0	54	-1.0	-49.40	411.34	4.88	-44.52
CC1CC2(CC(C)(C)C1)NC(=O)N(CC(=O)N1CCC(C3=NN=N[N-]3)C1)C2=O	REAL300020189161	1	54	-1.0	-49.40	411.42	4.88	-44.52
CC1=NN(C2=CC=C(F)C=C2)C(C)=C1C=CC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189162	0	47	-1.0	-45.50	393.71	7.47	-38.03
CC1=NN(C2=CC=C(F)C=C2)C(C)=C1C=CC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189162	1	47	-1.0	-45.48	393.78	7.49	-37.99
CC1=CC=C(C)C(OCCC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020189163	0	43	-1.0	-43.55	352.07	5.82	-37.73
CC1=CC=C(C)C(OCCC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020189163	1	43	-1.0	-43.54	352.15	5.83	-37.71
COC1=CC=C(OCCC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020189164	0	41	-1.0	-43.53	340.10	3.68	-39.85
COC1=CC=C(OCCC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020189164	1	41	-1.0	-43.53	340.17	3.69	-39.84
CC1=CC=CC=C1OCCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189165	0	40	-1.0	-43.31	330.67	5.16	-38.15
CC1=CC=CC=C1OCCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189165	1	40	-1.0	-43.32	330.75	5.16	-38.16
O=C(COC1=CC=C(Br)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189166	0	34	-1.0	-45.81	310.93	5.30	-40.51
O=C(COC1=CC=C(Br)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189166	1	34	-1.0	-45.81	311.01	5.32	-40.49
O=C(COC1=CC=C(C2=CC=CC=C2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189167	0	44	-1.0	-47.84	363.80	8.09	-39.75
O=C(COC1=CC=C(C2=CC=CC=C2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189167	1	44	-1.0	-47.87	363.88	8.10	-39.77
CCNS(=O)(=O)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020189168	0	41	-1.0	-47.45	347.65	0.58	-46.87
CCNS(=O)(=O)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020189168	1	41	-1.0	-47.48	347.72	0.60	-46.88
C=CCNS(=O)(=O)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020189169	0	42	-1.0	-47.31	360.45	1.13	-46.18
C=CCNS(=O)(=O)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020189169	1	42	-1.0	-47.31	360.53	1.14	-46.17
O=C(CC1=CC2=CC=CC=C2C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189170	0	39	-1.0	-46.22	326.85	7.02	-39.20
O=C(CC1=CC2=CC=CC=C2C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189170	1	39	-1.0	-46.23	326.92	7.03	-39.20
CSC1=CC=C(C(=O)CCC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020189171	0	42	-1.0	-43.04	361.25	6.37	-36.67
CSC1=CC=C(C(=O)CCC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020189171	1	42	-1.0	-42.99	361.33	6.38	-36.61
CCCOC1=C(Cl)C=C(C=CC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1OC	REAL300020189172	0	48	-1.0	-44.23	411.85	6.86	-37.37
CCCOC1=C(Cl)C=C(C=CC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020189172	1	48	-1.0	-44.22	411.93	6.86	-37.36
O=C(C=CC1=CC=C(F)C(Cl)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189173	0	34	-1.0	-43.27	312.46	5.81	-37.46
O=C(C=CC1=CC=C(F)C(Cl)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189173	1	34	-1.0	-43.29	312.54	5.81	-37.48
O=C(C=CC1=CC=C(Br)C(Cl)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189174	0	34	-1.0	-42.61	325.98	6.32	-36.29
O=C(C=CC1=CC=C(Br)C(Cl)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189174	1	34	-1.0	-42.64	326.05	6.32	-36.32
CC(OC1=CC=CC(Cl)=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189175	0	37	-1.0	-37.74	319.85	5.58	-32.16
CC(OC1=CC=CC(Cl)=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189175	1	37	-1.0	-37.72	319.92	5.59	-32.13
O=C(C=CC1=CC=CC=C1Br)N1CCC(C2=N[N-]N=N2)C1	REAL300020189176	0	34	-1.0	-45.78	308.17	5.76	-40.02
O=C(C=CC1=CC=CC=C1Br)N1CCC(C2=NN=N[N-]2)C1	REAL300020189176	1	34	-1.0	-45.80	308.24	5.76	-40.04
O=C(C=CC1=C(Cl)C=CC=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020189177	0	34	-1.0	-43.93	320.72	6.14	-37.79
O=C(C=CC1=C(Cl)C=CC=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020189177	1	34	-1.0	-43.96	320.79	6.16	-37.80
CC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C(C)N1C(C)C	REAL300020189178	0	43	-1.0	-45.73	326.94	5.44	-40.29
CC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C(C)N1C(C)C	REAL300020189178	1	43	-1.0	-45.71	327.02	5.45	-40.26
CCOC(=O)N1CCC(C(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020189179	0	44	-1.0	-39.68	350.84	3.76	-35.92
CCOC(=O)N1CCC(C(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020189179	1	44	-1.0	-39.68	350.91	3.77	-35.91
O=C(COC1=CC=C(Br)C=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020189180	0	34	-1.0	-49.49	317.17	5.38	-44.11
O=C(COC1=CC=C(Br)C=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020189180	1	34	-1.0	-49.50	317.24	5.38	-44.12
CC(C)C1=CC=CC=C1OCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189181	0	43	-1.0	-46.94	348.25	6.65	-40.29
CC(C)C1=CC=CC=C1OCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189181	1	43	-1.0	-46.91	348.33	6.66	-40.25
CCCCOC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1OCC	REAL300020189182	0	50	-1.0	-45.21	395.37	6.19	-39.02
CCCCOC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1OCC	REAL300020189182	1	50	-1.0	-45.19	395.44	6.19	-39.00
CCCCOC1=CC=C(C=CC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1OCC	REAL300020189183	0	54	-1.0	-46.07	435.22	7.89	-38.18
CCCCOC1=CC=C(C=CC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1OCC	REAL300020189183	1	54	-1.0	-46.09	435.29	7.89	-38.20
O=C(C=CC1=NC2=CC=CC=C2S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189184	0	36	-1.0	-44.04	324.81	4.96	-39.08
O=C(C=CC1=NC2=CC=CC=C2S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189184	1	36	-1.0	-44.00	324.88	4.97	-39.03
O=C(C=CC1=NC2=CC=CC=C2C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189185	0	39	-1.0	-45.49	333.67	5.85	-39.64
O=C(C=CC1=NC2=CC=CC=C2C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189185	1	39	-1.0	-45.53	333.74	5.86	-39.67
CC1=CC=C(C2=NC3=CC=CC=C3C(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C2)C(C)=C1	REAL300020189186	0	51	-1.0	-43.24	405.28	9.63	-33.61
CC1=CC=C(C2=NC3=CC=CC=C3C(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C2)C(C)=C1	REAL300020189186	1	51	-1.0	-43.22	405.36	9.65	-33.57
CC1=CC=CC(C)=C1OCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189187	0	40	-1.0	-45.66	331.41	6.15	-39.51
CC1=CC=CC(C)=C1OCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189187	1	40	-1.0	-45.67	331.48	6.16	-39.51
CCC(C)C1=CC=CC=C1N1CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)CC1=O	REAL300020189188	0	53	-1.0	-54.12	419.33	8.32	-45.80
CCC(C)C1=CC=CC=C1N1CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)CC1=O	REAL300020189188	1	53	-1.0	-54.14	419.40	8.33	-45.81
O=C(CCNC(=O)C1=CC=CO1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189189	0	37	-1.0	-51.63	321.43	1.23	-50.40
O=C(CCNC(=O)C1=CC=CO1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189189	1	37	-1.0	-51.61	321.50	1.24	-50.37
O=C(CC1=CC=CC2=CC=CC=C21)NCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189190	0	46	-1.0	-45.19	382.38	5.35	-39.84
O=C(CC1=CC=CC2=CC=CC=C21)NCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189190	1	46	-1.0	-45.25	382.46	5.36	-39.89
O=C(CCNC(=O)C1=CC=C(Br)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189191	0	40	-1.0	-51.87	358.49	3.83	-48.04
O=C(CCNC(=O)C1=CC=C(Br)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189191	1	40	-1.0	-51.84	358.57	3.85	-47.99
O=C(CCNS(=O)(=O)C1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189192	0	41	-1.0	-49.86	356.87	1.11	-48.75
O=C(CCNS(=O)(=O)C1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189192	1	41	-1.0	-49.85	356.95	1.12	-48.73
COC1=CC=C(C=CC(=O)NC(C)C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020189193	0	48	-1.0	-43.91	397.85	3.68	-40.23
COC1=CC=C(C=CC(=O)NC(C)C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020189193	1	48	-1.0	-43.90	397.93	3.70	-40.20
O=C(COC1=C(Cl)C=CC=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020189194	0	34	-1.0	-47.04	325.65	5.89	-41.15
O=C(COC1=C(Cl)C=CC=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020189194	1	34	-1.0	-47.03	325.72	5.90	-41.13
CC1=C(C)C2=C(SCC(=O)N3CCC(C4=N[N-]N=N4)C3)N=C(C)N=C2S1	REAL300020189195	0	44	-1.0	-44.59	383.45	5.71	-38.88
CC1=C(C)C2=C(SCC(=O)N3CCC(C4=NN=N[N-]4)C3)N=C(C)N=C2S1	REAL300020189195	1	44	-1.0	-44.63	383.52	5.72	-38.91
CCCOC1=CC=C(C=CC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1OC	REAL300020189196	0	48	-1.0	-46.28	391.86	6.18	-40.10
CCCOC1=CC=C(C=CC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020189196	1	48	-1.0	-46.26	391.94	6.19	-40.07
O=C(CCC1=CC=CC=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020189197	0	36	-1.0	-43.07	315.89	5.98	-37.09
O=C(CCC1=CC=CC=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020189197	1	36	-1.0	-43.11	315.97	5.99	-37.12
O=C(CCC1=CC=CC(Br)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189198	0	36	-1.0	-42.71	323.41	6.20	-36.51
O=C(CCC1=CC=CC(Br)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189198	1	36	-1.0	-42.70	323.48	6.20	-36.50
COC1=CC(C(=O)NCC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1OC(F)F	REAL300020189199	0	45	-1.0	-45.94	383.44	2.03	-43.91
COC1=CC(C(=O)NCC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1OC(F)F	REAL300020189199	1	45	-1.0	-45.95	383.52	2.04	-43.91
COC1=CC(C=CC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC(Cl)=C1OC	REAL300020189200	0	42	-1.0	-44.52	368.50	5.10	-39.42
COC1=CC(C=CC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC(Cl)=C1OC	REAL300020189200	1	42	-1.0	-44.53	368.57	5.11	-39.42
CCN1C(SCC(=O)N2CCC(C3=N[N-]N=N3)C2)=NN=C1C1=CC=CC=C1C	REAL300020189201	0	49	-1.0	-46.43	415.14	8.37	-38.06
CCN1C(SCC(=O)N2CCC(C3=NN=N[N-]3)C2)=NN=C1C1=CC=CC=C1C	REAL300020189201	1	49	-1.0	-46.45	415.21	8.38	-38.07
O=C(C1=CC=C(C2SCCS2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189202	0	39	-1.0	-44.61	336.91	6.55	-38.06
O=C(C1=CC=C(C2SCCS2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189202	1	39	-1.0	-44.60	336.98	6.56	-38.04
CS(=O)(=O)CC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020189203	0	39	-1.0	-55.69	335.07	1.75	-53.94
CS(=O)(=O)CC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020189203	1	39	-1.0	-55.64	335.14	1.77	-53.87
O=C(C1=CC=CC(N2C=NN=N2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189204	0	35	-1.0	-50.59	298.43	3.74	-46.85
O=C(C1=CC=CC(N2C=NN=N2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189204	1	35	-1.0	-50.60	298.36	3.73	-46.87
CCN1C(=O)C(=O)NC2=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=CC=C21	REAL300020189205	0	42	-1.0	-50.70	344.52	3.15	-47.55
CCN1C(=O)C(=O)NC2=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=CC=C21	REAL300020189205	1	42	-1.0	-50.76	344.59	3.17	-47.59
CCOC1=CC=C(C=CC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1OCC	REAL300020189206	0	48	-1.0	-46.48	392.22	6.30	-40.18
CCOC1=CC=C(C=CC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1OCC	REAL300020189206	1	48	-1.0	-46.49	392.29	6.31	-40.18
COC1=CC(C=O)=CC=C1OCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189207	0	40	-1.0	-56.07	342.05	4.18	-51.89
COC1=CC(C=O)=CC=C1OCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189207	1	40	-1.0	-56.12	342.12	4.18	-51.94
CC(C)N(C)S(=O)(=O)C1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020189208	0	47	-1.0	-46.01	383.18	2.96	-43.05
CC(C)N(C)S(=O)(=O)C1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020189208	1	47	-1.0	-46.02	383.26	2.98	-43.04
CC(C)NS(=O)(=O)C1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020189209	0	44	-1.0	-46.23	366.08	1.19	-45.04
CC(C)NS(=O)(=O)C1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020189209	1	44	-1.0	-46.24	366.15	1.21	-45.03
CC1=NOC(C)=C1COC1=CC=C(CC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020189210	0	49	-1.0	-48.23	409.27	6.84	-41.39
CC1=NOC(C)=C1COC1=CC=C(CC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020189210	1	49	-1.0	-48.26	409.34	6.85	-41.41
O=C(CSCC1=CC=CC(Cl)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189211	0	37	-1.0	-46.15	341.88	6.66	-39.49
O=C(CSCC1=CC=CC(Cl)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189211	1	37	-1.0	-46.15	341.96	6.67	-39.48
O=C(CSCC1=CC=C(Cl)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189212	0	37	-1.0	-45.85	341.89	6.68	-39.17
O=C(CSCC1=CC=C(Cl)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189212	1	37	-1.0	-45.82	341.96	6.68	-39.14
O=C(C1=CC=C(CSC2=CC=CC=C2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189213	0	44	-1.0	-45.09	371.51	8.47	-36.62
O=C(C1=CC=C(CSC2=CC=CC=C2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189213	1	44	-1.0	-45.11	371.58	8.49	-36.62
CC1=CC=C(SCC2=CC=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C2)C(C)=C1	REAL300020189214	0	50	-1.0	-44.56	411.55	9.69	-34.87
CC1=CC=C(SCC2=CC=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C2)C(C)=C1	REAL300020189214	1	50	-1.0	-44.49	411.63	9.71	-34.78
COC1=CC(C=CC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1OCC(C)C	REAL300020189215	0	51	-1.0	-46.15	411.97	6.86	-39.29
COC1=CC(C=CC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1OCC(C)C	REAL300020189215	1	51	-1.0	-46.14	412.04	6.87	-39.27
CC1=CC(C(=O)CCC(=O)N2CCC(C3=N[N-]N=N3)C2)=C(C)S1	REAL300020189216	0	41	-1.0	-42.35	353.77	5.99	-36.36
CC1=CC(C(=O)CCC(=O)N2CCC(C3=NN=N[N-]3)C2)=C(C)S1	REAL300020189216	1	41	-1.0	-42.34	353.85	6.00	-36.34
O=C(CCCN1C(=O)OC2=CC=CC=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020189217	0	42	-1.0	-54.05	356.72	5.85	-48.20
O=C(CCCN1C(=O)OC2=CC=CC=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020189217	1	42	-1.0	-54.05	356.80	5.87	-48.18
O=C(CN1C(=O)OC2=CC=CC=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020189218	0	36	-1.0	-53.80	314.18	4.64	-49.16
O=C(CN1C(=O)OC2=CC=CC=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020189218	1	36	-1.0	-53.78	314.25	4.64	-49.14
O=C(C1=CC=C(NC2CC2)C([N+](=O)[O-])=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189219	0	41	-1.0	-48.93	338.52	4.86	-44.07
O=C(C1=CC=C(NC2CC2)C([N+](=O)[O-])=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189219	1	41	-1.0	-49.00	338.59	4.87	-44.13
CC(C)CCSC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1[N+](=O)[O-]	REAL300020189220	0	48	-1.0	-48.17	395.62	8.02	-40.15
CC(C)CCSC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1[N+](=O)[O-]	REAL300020189220	1	48	-1.0	-48.21	395.70	8.03	-40.18
O=C(CCCN1C(=O)C2=CC=CC=C2C1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189221	0	43	-1.0	-52.71	368.47	5.17	-47.54
O=C(CCCN1C(=O)C2=CC=CC=C2C1=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189221	1	43	-1.0	-52.71	368.54	5.18	-47.53
COC1=CC=C(C(=O)NCC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1[N+](=O)[O-]	REAL300020189222	0	43	-1.0	-48.35	370.47	3.29	-45.06
COC1=CC=C(C(=O)NCC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1[N+](=O)[O-]	REAL300020189222	1	43	-1.0	-48.31	370.55	3.31	-45.00
O=C(CNC(=O)C1=CC=C(Br)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189223	0	37	-1.0	-41.58	336.36	3.17	-38.41
O=C(CNC(=O)C1=CC=C(Br)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189223	1	37	-1.0	-41.61	336.44	3.18	-38.43
O=C(CNC(=O)C1=CC=CC(Cl)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189224	0	37	-1.0	-42.69	331.80	3.06	-39.63
O=C(CNC(=O)C1=CC=CC(Cl)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189224	1	37	-1.0	-42.68	331.88	3.07	-39.61
CCN(CC)S(=O)(=O)C1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1C	REAL300020189225	0	50	-1.0	-53.05	394.51	3.70	-49.35
CCN(CC)S(=O)(=O)C1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1C	REAL300020189225	1	50	-1.0	-53.04	394.59	3.72	-49.32
CC(SC1=CC=C(Cl)C=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189226	0	37	-1.0	-43.15	331.76	6.11	-37.04
CC(SC1=CC=C(Cl)C=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189226	1	37	-1.0	-43.18	331.83	6.12	-37.06
O=C(CN1C(=O)NC2(CCCC2)C1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189227	0	42	-1.0	-49.85	346.83	1.82	-48.03
O=C(CN1C(=O)NC2(CCCC2)C1=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189227	1	42	-1.0	-49.85	346.91	1.82	-48.03
O=C(CSC1=CC=C(F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189228	0	34	-1.0	-44.07	305.64	5.32	-38.75
O=C(CSC1=CC=C(F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189228	1	34	-1.0	-44.09	305.72	5.33	-38.76
O=C(C1COC2=CC=CC=C2O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189229	0	36	-1.0	-45.33	298.73	3.98	-41.35
O=C(C1COC2=CC=CC=C2O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189229	1	36	-1.0	-45.32	298.80	4.00	-41.32
O=C(CNC(=O)C1=CC=CC([N+](=O)[O-])=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189230	0	39	-1.0	-46.39	343.26	3.21	-43.18
O=C(CNC(=O)C1=CC=CC([N+](=O)[O-])=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189230	1	39	-1.0	-46.36	343.34	3.22	-43.14
CN(C)S(=O)(=O)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020189231	0	41	-1.0	-47.06	345.46	1.57	-45.49
CN(C)S(=O)(=O)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020189231	1	41	-1.0	-47.08	345.54	1.58	-45.50
CCOC1=CC=CC=C1OCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189232	0	41	-1.0	-51.19	340.75	5.36	-45.83
CCOC1=CC=CC=C1OCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189232	1	41	-1.0	-51.20	340.83	5.37	-45.83
CCC1=CC=C(OCC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020189233	0	40	-1.0	-46.51	332.53	6.12	-40.39
CCC1=CC=C(OCC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020189233	1	40	-1.0	-46.49	332.61	6.13	-40.36
CC1=CC(OCC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1Cl	REAL300020189234	0	37	-1.0	-45.94	325.10	5.79	-40.15
CC1=CC(OCC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1Cl	REAL300020189234	1	37	-1.0	-45.96	325.18	5.80	-40.16
CC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1NC(=O)C1=CC=CO1	REAL300020189235	0	44	-1.0	-56.41	363.78	4.43	-51.98
CC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1NC(=O)C1=CC=CO1	REAL300020189235	1	44	-1.0	-56.41	363.86	4.44	-51.97
COC1=CC=CC2=C1OC(=O)C(C(=O)N1CCC(C3=N[N-]N=N3)C1)=C2	REAL300020189236	0	39	-1.0	-55.10	337.72	5.01	-50.09
COC1=CC=CC2=C1OC(=O)C(C(=O)N1CCC(C3=NN=N[N-]3)C1)=C2	REAL300020189236	1	39	-1.0	-55.07	337.80	5.03	-50.04
O=C(CC12CC3CC(CC(Br)(C3)C1)C2)N1CCC(C2=N[N-]N=N2)C1	REAL300020189237	0	47	-1.0	-40.70	356.13	7.24	-33.46
O=C(CC12CC3CC(CC(Br)(C3)C1)C2)N1CCC(C2=NN=N[N-]2)C1	REAL300020189237	1	47	-1.0	-40.71	356.21	7.24	-33.47
CNS(=O)(=O)C1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020189238	0	38	-1.0	-47.16	326.64	-0.29	-47.45
CNS(=O)(=O)C1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020189238	1	38	-1.0	-47.18	326.71	-0.27	-47.45
CC1=CC=C(C)C(S(=O)(=O)NCCC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020189239	0	47	-1.0	-50.12	393.03	2.68	-47.44
CC1=CC=C(C)C(S(=O)(=O)NCCC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020189239	1	47	-1.0	-50.11	393.11	2.69	-47.42
CC1=CC2=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=C(C3=CC=CC=C3)N=C2C=C1	REAL300020189240	0	48	-1.0	-44.68	390.53	8.40	-36.28
CC1=CC2=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=C(C3=CC=CC=C3)N=C2C=C1	REAL300020189240	1	48	-1.0	-44.67	390.45	8.40	-36.27
NC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189241	0	42	-1.0	-52.95	340.82	1.94	-51.01
NC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189241	1	42	-1.0	-52.98	340.89	1.96	-51.02
O=C(COC1=CC=CC(Cl)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189242	0	34	-1.0	-47.61	306.38	5.21	-42.40
O=C(COC1=CC=CC(Cl)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189242	1	34	-1.0	-47.61	306.46	5.21	-42.40
C=CCC1=CC=C(OCC(=O)N2CCC(C3=N[N-]N=N3)C2)C(OC)=C1	REAL300020189243	0	45	-1.0	-50.64	374.60	6.44	-44.20
C=CCC1=CC=C(OCC(=O)N2CCC(C3=NN=N[N-]3)C2)C(OC)=C1	REAL300020189243	1	45	-1.0	-50.65	374.67	6.44	-44.21
COC1=CC(C=CC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC(Cl)=C1OC(C)C	REAL300020189244	0	48	-1.0	-44.17	406.69	6.86	-37.31
COC1=CC(C=CC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC(Cl)=C1OC(C)C	REAL300020189244	1	48	-1.0	-44.19	406.77	6.87	-37.32
COC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1S(=O)(=O)NC(C)C	REAL300020189245	0	48	-1.0	-53.46	381.45	1.02	-52.44
COC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1S(=O)(=O)NC(C)C	REAL300020189245	1	48	-1.0	-53.48	381.52	1.02	-52.46
CCN(CC)S(=O)(=O)C1=CC=C(C)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020189246	0	50	-1.0	-45.41	409.06	4.04	-41.37
CCN(CC)S(=O)(=O)C1=CC=C(C)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020189246	1	50	-1.0	-45.41	409.14	4.06	-41.35
CC1=CC=C(S(=O)(=O)NC(C)(C)C)C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189247	0	50	-1.0	-45.27	396.62	2.35	-42.92
CC1=CC=C(S(=O)(=O)NC(C)(C)C)C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189247	1	50	-1.0	-45.20	396.70	2.36	-42.84
CC(SCC(=O)N1CCC(C2=N[N-]N=N2)C1)C1=NC2=CC=CC=C2N1	REAL300020189248	0	43	-1.0	-53.10	369.65	5.28	-47.82
CC(SCC(=O)N1CCC(C2=NN=N[N-]2)C1)C1=NC2=CC=CC=C2N1	REAL300020189248	1	43	-1.0	-53.14	369.72	5.28	-47.86
N#CCCN1C=C(C=CC(=O)N2CCC(C3=N[N-]N=N3)C2)C2=CC=CC=C21	REAL300020189249	0	45	-1.0	-54.05	387.47	8.40	-45.65
N#CCCN1C=C(C=CC(=O)N2CCC(C3=NN=N[N-]3)C2)C2=CC=CC=C21	REAL300020189249	1	45	-1.0	-54.04	387.55	8.42	-45.62
CC(=O)C1=CC=C(S(=O)(=O)NCCC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020189250	0	46	-1.0	-51.55	398.11	1.52	-50.03
CC(=O)C1=CC=C(S(=O)(=O)NCCC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020189250	1	46	-1.0	-51.55	398.19	1.54	-50.01
CS(=O)(=O)C1=CC=C(Cl)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020189251	0	36	-1.0	-48.93	329.08	1.76	-47.17
CS(=O)(=O)C1=CC=C(Cl)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020189251	1	36	-1.0	-48.94	329.15	1.76	-47.18
COC1=CC(OC)=C(OC)C=C1C=CC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189252	0	46	-1.0	-48.91	376.06	3.82	-45.09
COC1=CC(OC)=C(OC)C=C1C=CC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189252	1	46	-1.0	-48.95	376.13	3.84	-45.11
CCNS(=O)(=O)C1=CC=C(C)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020189253	0	44	-1.0	-47.34	369.87	1.34	-46.00
CCNS(=O)(=O)C1=CC=C(C)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020189253	1	44	-1.0	-47.36	369.95	1.34	-46.02
O=C(C1CCN(C2=CC=CC=C2[N+](=O)[O-])CC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189254	0	47	-1.0	-53.39	380.17	7.06	-46.33
O=C(C1CCN(C2=CC=CC=C2[N+](=O)[O-])CC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189254	1	47	-1.0	-53.43	380.24	7.06	-46.37
CC(C(=O)N1CCC(C2=N[N-]N=N2)C1)N1C(=O)C2CCCCC2C1=O	REAL300020189255	0	46	-1.0	-48.66	358.57	5.46	-43.20
CC(C(=O)N1CCC(C2=NN=N[N-]2)C1)N1C(=O)C2CCCCC2C1=O	REAL300020189255	1	46	-1.0	-48.73	358.65	5.47	-43.26
CSCCC(NC(=O)C1=CC=CC(C)=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189256	0	50	-1.0	-42.01	414.00	5.71	-36.30
CSCCC(NC(=O)C1=CC=CC(C)=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189256	1	50	-1.0	-42.00	414.07	5.72	-36.28
COCCNS(=O)(=O)C1=CC=C(C)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020189257	0	48	-1.0	-46.12	403.33	0.46	-45.66
COCCNS(=O)(=O)C1=CC=C(C)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020189257	1	48	-1.0	-46.09	403.40	0.47	-45.62
O=C(CSC1=NC2=CC=CC=C2S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189258	0	36	-1.0	-44.10	334.52	4.93	-39.17
O=C(CSC1=NC2=CC=CC=C2S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189258	1	36	-1.0	-44.11	334.44	4.92	-39.19
O=C(NC1=CC=CC=C1)N1CCC(C(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020189259	0	49	-1.0	-51.33	385.18	5.63	-45.70
O=C(NC1=CC=CC=C1)N1CCC(C(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020189259	1	49	-1.0	-51.34	385.25	5.65	-45.69
CC1=C(C(C)C)C=C2C(CC(=O)N3CCC(C4=N[N-]N=N4)C3)=COC2=C1	REAL300020189260	0	48	-1.0	-47.98	386.15	7.59	-40.39
CC1=C(C(C)C)C=C2C(CC(=O)N3CCC(C4=NN=N[N-]4)C3)=COC2=C1	REAL300020189260	1	48	-1.0	-47.95	386.23	7.60	-40.35
CC1=CC=C2C(CC(=O)N3CCC(C4=N[N-]N=N4)C3)=COC2=C1	REAL300020189261	0	39	-1.0	-47.93	330.02	5.81	-42.12
CC1=CC=C2C(CC(=O)N3CCC(C4=NN=N[N-]4)C3)=COC2=C1	REAL300020189261	1	39	-1.0	-47.96	330.09	5.82	-42.14
CCC1=CC=C2C(CC(=O)N3CCC(C4=N[N-]N=N4)C3)=COC2=C1	REAL300020189262	0	42	-1.0	-47.54	351.50	6.58	-40.96
CCC1=CC=C2C(CC(=O)N3CCC(C4=NN=N[N-]4)C3)=COC2=C1	REAL300020189262	1	42	-1.0	-47.57	351.57	6.58	-40.99
O=C(CC1=COC2=C1C1=C(C=CC=C1)C=C2)N1CCC(C2=N[N-]N=N2)C1	REAL300020189263	0	42	-1.0	-49.77	350.04	7.22	-42.55
O=C(CC1=COC2=C1C1=C(C=CC=C1)C=C2)N1CCC(C2=NN=N[N-]2)C1	REAL300020189263	1	42	-1.0	-49.73	350.12	7.23	-42.50
O=C(CC1=COC2=CC3=C(C=C12)CCC3)N1CCC(C2=N[N-]N=N2)C1	REAL300020189264	0	43	-1.0	-48.45	354.16	7.04	-41.41
O=C(CC1=COC2=CC3=C(C=C12)CCC3)N1CCC(C2=NN=N[N-]2)C1	REAL300020189264	1	43	-1.0	-48.42	354.24	7.05	-41.37
O=C(COC1=CC=C(Cl)C=C1Br)N1CCC(C2=N[N-]N=N2)C1	REAL300020189265	0	34	-1.0	-47.81	326.80	5.85	-41.96
O=C(COC1=CC=C(Cl)C=C1Br)N1CCC(C2=NN=N[N-]2)C1	REAL300020189265	1	34	-1.0	-47.82	326.87	5.85	-41.97
O=C(COC1=CC=C(F)C=C1Br)N1CCC(C2=N[N-]N=N2)C1	REAL300020189266	0	34	-1.0	-48.24	316.47	5.40	-42.84
O=C(COC1=CC=C(F)C=C1Br)N1CCC(C2=NN=N[N-]2)C1	REAL300020189266	1	34	-1.0	-48.22	316.55	5.40	-42.82
O=C(COC1=CC=C(I)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189267	0	34	-1.0	-45.55	317.42	5.78	-39.77
O=C(COC1=CC=C(I)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189267	1	34	-1.0	-45.54	317.49	5.79	-39.75
CC(=O)C1=CC=CC(OCC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020189268	0	39	-1.0	-55.77	330.92	5.10	-50.67
CC(=O)C1=CC=CC(OCC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020189268	1	39	-1.0	-55.78	330.99	5.10	-50.68
O=C(CSC1=CC=C(Br)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189269	0	34	-1.0	-43.56	320.53	5.87	-37.69
O=C(CSC1=CC=C(Br)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189269	1	34	-1.0	-43.64	320.61	5.89	-37.75
O=C(COC1=CC=C([N+](=O)[O-])C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189270	0	36	-1.0	-48.83	317.84	5.35	-43.48
O=C(COC1=CC=C([N+](=O)[O-])C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189270	1	36	-1.0	-48.87	317.92	5.36	-43.51
O=C(CNC(=O)C1=CC=CC=C1OC(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020189271	0	41	-1.0	-46.07	352.16	3.37	-42.70
O=C(CNC(=O)C1=CC=CC=C1OC(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020189271	1	41	-1.0	-46.10	352.24	3.39	-42.71
CC(NC(=O)NC1=CC=CC=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189272	0	42	-1.0	-43.88	347.66	2.41	-41.47
CC(NC(=O)NC1=CC=CC=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189272	1	42	-1.0	-43.86	347.74	2.41	-41.45
CC1=CC=C2C(CC(=O)N3CCC(C4=N[N-]N=N4)C3)=COC2=C1C	REAL300020189273	0	42	-1.0	-48.37	347.67	6.36	-42.01
CC1=CC=C2C(CC(=O)N3CCC(C4=NN=N[N-]4)C3)=COC2=C1C	REAL300020189273	1	42	-1.0	-48.37	347.74	6.37	-42.00
O=C(C1=CC=C(COC2=CC3=CC=CC=C3C=C2)O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189274	0	47	-1.0	-44.86	395.10	7.78	-37.08
O=C(C1=CC=C(COC2=CC3=CC=CC=C3C=C2)O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189274	1	47	-1.0	-44.89	395.18	7.79	-37.10
O=C(C=CC1=CC=C2OCCOC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189275	0	40	-1.0	-46.66	334.37	4.38	-42.28
O=C(C=CC1=CC=C2OCCOC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189275	1	40	-1.0	-46.69	334.44	4.40	-42.29
O=C(CCNC1=NS(=O)(=O)C2=CC=CC=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020189276	0	42	-1.0	-64.70	366.91	1.09	-63.61
O=C(CCNC1=NS(=O)(=O)C2=CC=CC=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020189276	1	42	-1.0	-64.68	366.98	1.09	-63.59
CCOC1=CC=C(C=CC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1OC	REAL300020189277	0	45	-1.0	-46.65	370.37	5.38	-41.27
CCOC1=CC=C(C=CC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020189277	1	45	-1.0	-46.65	370.44	5.39	-41.26
CCOC1=C(Cl)C=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1OC	REAL300020189278	0	41	-1.0	-42.49	350.50	4.36	-38.13
CCOC1=C(Cl)C=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020189278	1	41	-1.0	-42.48	350.57	4.37	-38.11
CCOC1=CC(C=CC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC(Cl)=C1OC	REAL300020189279	0	45	-1.0	-44.24	390.36	6.03	-38.21
CCOC1=CC(C=CC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC(Cl)=C1OC	REAL300020189279	1	45	-1.0	-44.23	390.43	6.04	-38.19
CSC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1[N+](=O)[O-]	REAL300020189280	0	36	-1.0	-49.24	313.59	5.08	-44.16
CSC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1[N+](=O)[O-]	REAL300020189280	1	36	-1.0	-49.25	313.67	5.08	-44.17
CC1=CN2C(=O)C(C(=O)N3CCC(C4=NN=N[N-]4)C3)=CN=C2C=C1	REAL300020189281	0	38	-1.0	-57.58	326.29	4.48	-53.10
CC1=CN2C(=O)C(C(=O)N3CCC(C4=N[N-]N=N4)C3)=CN=C2C=C1	REAL300020189281	1	38	-1.0	-57.57	326.22	4.46	-53.11
O=C(CNC(=O)C1=CC=C(OC2=CC=CC=C2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189282	0	48	-1.0	-43.49	403.70	5.40	-38.09
O=C(CNC(=O)C1=CC=C(OC2=CC=CC=C2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189282	1	48	-1.0	-43.55	403.77	5.42	-38.13
CC1=CC=C(C(=O)NCC(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020189283	0	37	-1.0	-43.03	329.01	2.35	-40.68
CC1=CC=C(C(=O)NCC(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020189283	1	37	-1.0	-43.06	329.08	2.35	-40.71
O=C(C1=CC=C(CSC2=CC=C(Cl)C=C2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189284	0	44	-1.0	-44.78	388.36	8.98	-35.80
O=C(C1=CC=C(CSC2=CC=C(Cl)C=C2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189284	1	44	-1.0	-44.79	388.44	9.00	-35.79
O=C(C1=CC=C(C2=CC=CC=C2F)O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189285	0	37	-1.0	-44.52	325.27	5.94	-38.58
O=C(C1=CC=C(C2=CC=CC=C2F)O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189285	1	37	-1.0	-44.55	325.34	5.95	-38.60
O=C(C1=CN=CN1C1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189286	0	37	-1.0	-44.45	308.30	6.10	-38.35
O=C(C1=CN=CN1C1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189286	1	37	-1.0	-44.47	308.23	6.08	-38.39
CC1(C)NC(=O)N(CC(=O)N2CCC(C3=N[N-]N=N3)C2)C1=O	REAL300020189287	0	38	-1.0	-50.75	323.03	0.64	-50.11
CC1(C)NC(=O)N(CC(=O)N2CCC(C3=NN=N[N-]3)C2)C1=O	REAL300020189287	1	38	-1.0	-50.75	323.10	0.65	-50.10
CC1=CC=C(S(=O)(=O)N[C@H](C(=O)N2CCC(C3=N[N-]N=N3)C2)C(C)C)C=C1	REAL300020189288	0	50	-1.0	-45.10	409.24	3.05	-42.05
CC1=CC=C(S(=O)(=O)N[C@H](C(=O)N2CCC(C3=NN=N[N-]3)C2)C(C)C)C=C1	REAL300020189288	1	50	-1.0	-45.14	409.31	3.07	-42.07
COC1=CC=C(OCCCC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020189289	0	44	-1.0	-47.80	361.60	4.44	-43.36
COC1=CC=C(OCCCC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020189289	1	44	-1.0	-47.82	361.67	4.46	-43.36
CC(C)(C)C1=CC=C(OCCCC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020189290	0	52	-1.0	-46.40	408.27	7.48	-38.92
CC(C)(C)C1=CC=C(OCCCC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020189290	1	52	-1.0	-46.43	408.35	7.50	-38.93
CC1=CC=C(OCCCC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020189291	0	43	-1.0	-46.86	353.51	5.84	-41.02
CC1=CC=C(OCCCC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020189291	1	43	-1.0	-46.83	353.58	5.85	-40.98
CC1=CC=CC(OCCCC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020189292	0	43	-1.0	-47.01	353.51	5.83	-41.18
CC1=CC=CC(OCCCC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020189292	1	43	-1.0	-47.02	353.58	5.85	-41.17
CC1=CC=CC=C1C(=O)NC(CC(C)C)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189293	0	52	-1.0	-41.66	397.90	6.16	-35.50
CC1=CC=CC=C1C(=O)NC(CC(C)C)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189293	1	52	-1.0	-41.69	397.97	6.17	-35.52
CC(NC(=O)C1=CC=CO1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189294	0	37	-1.0	-44.00	318.13	1.19	-42.81
CC(NC(=O)C1=CC=CO1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189294	1	37	-1.0	-44.00	318.20	1.21	-42.79
O=C(C1=NN(C2=CC=CC=C2)C(=O)CC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189295	0	41	-1.0	-41.82	341.85	4.83	-36.99
O=C(C1=NN(C2=CC=CC=C2)C(=O)CC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189295	1	41	-1.0	-41.83	341.92	4.85	-36.98
CCCCCCN1N=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C2=CC=CC=C2C1=O	REAL300020189296	0	53	-1.0	-41.12	424.36	7.65	-33.47
CCCCCCN1N=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C2=CC=CC=C2C1=O	REAL300020189296	1	53	-1.0	-41.10	424.43	7.66	-33.44
CCN(CC)S(=O)(=O)C1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020189297	0	47	-1.0	-46.23	386.78	3.26	-42.97
CCN(CC)S(=O)(=O)C1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020189297	1	47	-1.0	-46.21	386.85	3.27	-42.94
O=C(COC1=CC=CC(Br)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189298	0	34	-1.0	-47.57	310.95	5.31	-42.26
O=C(COC1=CC=CC(Br)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189298	1	34	-1.0	-47.57	311.02	5.32	-42.25
O=C(CC12CC3CC(CC(C3)C1)C2)N1CCC(C2=N[N-]N=N2)C1	REAL300020189299	0	47	-1.0	-42.47	335.66	6.68	-35.79
O=C(CC12CC3CC(CC(C3)C1)C2)N1CCC(C2=NN=N[N-]2)C1	REAL300020189299	1	47	-1.0	-42.49	335.73	6.68	-35.81
O=C(CN1C(=O)C2C3C=CC(C3)C2C1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189300	0	42	-1.0	-49.63	339.07	4.44	-45.19
O=C(CN1C(=O)C2C3C=CC(C3)C2C1=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189300	1	42	-1.0	-49.63	339.15	4.46	-45.17
CC(=O)C1=CC=CC(S(=O)(=O)NCCC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020189301	0	46	-1.0	-53.70	399.67	1.59	-52.11
CC(=O)C1=CC=CC(S(=O)(=O)NCCC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020189301	1	46	-1.0	-53.69	399.74	1.61	-52.08
CCOC1=CC=C(S(=O)(=O)NCCC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020189302	0	48	-1.0	-49.27	408.24	1.34	-47.93
CCOC1=CC=C(S(=O)(=O)NCCC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020189302	1	48	-1.0	-49.29	408.31	1.35	-47.94
O=C(C1=CC=C(NCC2=CC=CC=C2)C([N+](=O)[O-])=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189303	0	47	-1.0	-49.84	388.99	7.05	-42.79
O=C(C1=CC=C(NCC2=CC=CC=C2)C([N+](=O)[O-])=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189303	1	47	-1.0	-49.85	389.06	7.06	-42.79
CCC1=CC=CC(OCC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020189304	0	40	-1.0	-47.01	332.53	6.12	-40.89
CCC1=CC=CC(OCC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020189304	1	40	-1.0	-47.00	332.61	6.13	-40.87
O=C(C1=CC=C(Cl)C=C1)N1CCC(C(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020189305	0	47	-1.0	-47.01	386.83	6.20	-40.81
O=C(C1=CC=C(Cl)C=C1)N1CCC(C(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020189305	1	47	-1.0	-47.01	386.90	6.21	-40.80
O=C(CC1=CC=C2OCCOC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189306	0	39	-1.0	-48.32	325.23	3.93	-44.39
O=C(CC1=CC=C2OCCOC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189306	1	39	-1.0	-48.35	325.30	3.94	-44.41
O=C(C=CC1=CC=C(OCC2=CC=CC=C2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189307	0	48	-1.0	-45.48	401.06	8.51	-36.97
O=C(C=CC1=CC=C(OCC2=CC=CC=C2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189307	1	48	-1.0	-45.48	401.14	8.53	-36.95
CC1=CC=C(C)C(S(=O)(=O)NCC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020189308	0	44	-1.0	-47.27	370.97	2.02	-45.25
CC1=CC=C(C)C(S(=O)(=O)NCC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020189308	1	44	-1.0	-47.24	371.05	2.03	-45.21
CC(C)C(NC(=O)C1=CC=CC=C1Cl)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189309	0	46	-1.0	-42.10	373.32	5.02	-37.08
CC(C)C(NC(=O)C1=CC=CC=C1Cl)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189309	1	46	-1.0	-42.11	373.39	5.04	-37.07
CC1=CC(C)=C(OCC(=O)N2CCC(C3=N[N-]N=N3)C2)C(C)=C1	REAL300020189310	0	43	-1.0	-45.57	352.85	6.80	-38.77
CC1=CC(C)=C(OCC(=O)N2CCC(C3=NN=N[N-]3)C2)C(C)=C1	REAL300020189310	1	43	-1.0	-45.56	352.93	6.82	-38.74
O=C(CNS(=O)(=O)C1=CC=C(Cl)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189311	0	38	-1.0	-47.88	351.56	0.96	-46.92
O=C(CNS(=O)(=O)C1=CC=C(Cl)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189311	1	38	-1.0	-47.84	351.64	0.97	-46.87
COC1=CC=CC=C1C(=O)NCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189312	0	41	-1.0	-46.30	342.41	3.10	-43.20
COC1=CC=CC=C1C(=O)NCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189312	1	41	-1.0	-46.30	342.48	3.12	-43.18
O=C(CNS(=O)(=O)C1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189313	0	38	-1.0	-48.97	334.84	0.44	-48.53
O=C(CNS(=O)(=O)C1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189313	1	38	-1.0	-48.98	334.92	0.45	-48.53
O=C(CC1=CC=CC=C1)NCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189314	0	40	-1.0	-43.60	339.68	3.24	-40.36
O=C(CC1=CC=CC=C1)NCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189314	1	40	-1.0	-43.63	339.76	3.24	-40.39
CC(=O)NC1=CC=C(S(=O)(=O)NCC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020189315	0	45	-1.0	-55.87	390.90	-0.67	-56.54
CC(=O)NC1=CC=C(S(=O)(=O)NCC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020189315	1	45	-1.0	-55.86	390.97	-0.66	-56.52
O=C(CCNC(=O)C1=CC=C(Cl)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189316	0	40	-1.0	-51.94	353.93	3.73	-48.21
O=C(CCNC(=O)C1=CC=C(Cl)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189316	1	40	-1.0	-51.93	354.00	3.74	-48.19
O=C(CCNS(=O)(=O)C=CC1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189317	0	45	-1.0	-50.57	388.78	2.30	-48.27
O=C(CCNS(=O)(=O)C=CC1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189317	1	45	-1.0	-50.59	388.85	2.31	-48.28
C[C@H](NS(=O)(=O)C1=CC=C(Cl)C=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189318	0	41	-1.0	-45.71	368.24	1.41	-44.30
C[C@H](NS(=O)(=O)C1=CC=C(Cl)C=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189318	1	41	-1.0	-45.68	368.31	1.42	-44.26
COC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020189319	0	45	-1.0	-47.24	381.00	0.20	-47.04
COC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020189319	1	45	-1.0	-47.32	381.07	0.21	-47.11
CC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020189320	0	44	-1.0	-46.16	372.96	1.57	-44.59
CC1=CC=C(S(=O)(=O)N[C@@H](C)C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020189320	1	44	-1.0	-46.20	373.03	1.58	-44.62
CC1=CC=C(CN2CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)CC2=O)C=C1	REAL300020189321	0	47	-1.0	-44.62	382.04	6.15	-38.47
CC1=CC=C(CN2CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)CC2=O)C=C1	REAL300020189321	1	47	-1.0	-44.63	382.11	6.17	-38.46
CCOC1=CC=C(N2CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)CC2=O)C=C1	REAL300020189322	0	48	-1.0	-54.37	385.99	5.17	-49.20
CCOC1=CC=C(N2CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)CC2=O)C=C1	REAL300020189322	1	48	-1.0	-54.37	386.06	5.18	-49.19
O=C(C1=CC=C(OCC2CCCO2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189323	0	45	-1.0	-46.50	358.26	4.16	-42.34
O=C(C1=CC=C(OCC2CCCO2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189323	1	45	-1.0	-46.51	358.34	4.18	-42.33
COC(=O)C1=CC=C(C=CC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020189324	0	40	-1.0	-46.43	344.63	5.89	-40.54
COC(=O)C1=CC=C(C=CC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020189324	1	40	-1.0	-46.40	344.71	5.91	-40.49
CC1=CC(OCC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1C(C)C	REAL300020189325	0	46	-1.0	-46.68	367.28	7.14	-39.54
CC1=CC(OCC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1C(C)C	REAL300020189325	1	46	-1.0	-46.69	367.35	7.15	-39.54
O=C(COC1=CC=CC2=CC=CC=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020189326	0	40	-1.0	-49.02	334.68	6.98	-42.04
O=C(COC1=CC=CC2=CC=CC=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020189326	1	40	-1.0	-48.95	334.75	7.00	-41.95
CC1=CC=C(C2=NC3=CC=CC=C3C(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C2)O1	REAL300020189327	0	45	-1.0	-44.13	376.27	6.71	-37.42
CC1=CC=C(C2=NC3=CC=CC=C3C(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C2)O1	REAL300020189327	1	45	-1.0	-44.13	376.20	6.70	-37.43
CS(=O)(=O)NC1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020189328	0	38	-1.0	-48.54	323.42	0.29	-48.25
CS(=O)(=O)NC1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020189328	1	38	-1.0	-48.59	323.49	0.30	-48.29
O=C(CN1C(=O)C2=CC=CC([N+](=O)[O-])=C2C1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189329	0	39	-1.0	-58.32	349.07	5.48	-52.84
O=C(CN1C(=O)C2=CC=CC([N+](=O)[O-])=C2C1=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189329	1	39	-1.0	-58.32	349.15	5.49	-52.83
O=C(CCN1C(=O)C2=CC=CC=C2C1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189330	0	40	-1.0	-48.66	346.99	4.35	-44.31
O=C(CCN1C(=O)C2=CC=CC=C2C1=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189330	1	40	-1.0	-48.60	347.06	4.36	-44.24
CC1=CC=CC(C(=O)NC(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(C)C)=C1	REAL300020189331	0	49	-1.0	-42.12	384.15	5.32	-36.80
CC1=CC=CC(C(=O)NC(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(C)C)=C1	REAL300020189331	1	49	-1.0	-42.09	384.22	5.33	-36.76
COC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(OC)=C1OC	REAL300020189332	0	42	-1.0	-48.05	349.10	3.56	-44.49
COC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(OC)=C1OC	REAL300020189332	1	42	-1.0	-48.04	349.18	3.56	-44.48
CC(C)CCOC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020189333	0	46	-1.0	-43.44	361.86	5.88	-37.56
CC(C)CCOC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020189333	1	46	-1.0	-43.40	361.94	5.90	-37.50
CCCCCCOC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020189334	0	49	-1.0	-43.43	387.29	6.92	-36.51
CCCCCCOC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020189334	1	49	-1.0	-43.46	387.37	6.94	-36.52
CC(C)OC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020189335	0	40	-1.0	-43.54	319.17	4.42	-39.12
CC(C)OC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020189335	1	40	-1.0	-43.55	319.24	4.44	-39.11
COC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1OCC(C)C	REAL300020189336	0	47	-1.0	-43.61	372.11	5.16	-38.45
COC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1OCC(C)C	REAL300020189336	1	47	-1.0	-43.60	372.18	5.18	-38.42
CCC(C)C(NC(=O)C1=CC=CC=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189337	0	49	-1.0	-41.80	382.30	5.24	-36.56
CCC(C)C(NC(=O)C1=CC=CC=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189337	1	49	-1.0	-41.81	382.37	5.24	-36.57
O=C(C1=CC=CC=C1)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020189338	0	42	-1.0	-46.56	347.00	6.81	-39.75
O=C(C1=CC=CC=C1)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020189338	1	42	-1.0	-46.58	347.07	6.82	-39.76
O=C(C1=CC=C(Br)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189339	0	27	-1.0	-39.47	263.99	3.47	-36.00
O=C(C1=CC=C(Br)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189339	1	27	-1.0	-39.46	264.07	3.47	-35.99
O=C(C1=CC=C(N2C(=O)CCC2=O)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189340	0	40	-1.0	-51.65	335.07	4.09	-47.56
O=C(C1=CC=C(N2C(=O)CCC2=O)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189340	1	40	-1.0	-51.65	335.15	4.10	-47.55
O=C(C1=CC=CC(N2C(=O)CCC2=O)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189341	0	40	-1.0	-55.63	336.45	4.13	-51.50
O=C(C1=CC=CC(N2C(=O)CCC2=O)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189341	1	40	-1.0	-55.61	336.53	4.14	-51.47
O=C(C1CC(=O)N(CC2=CC=CC=C2)C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189342	0	44	-1.0	-45.98	361.49	5.50	-40.48
O=C(C1CC(=O)N(CC2=CC=CC=C2)C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189342	1	44	-1.0	-46.01	361.57	5.51	-40.50
O=C(CCCOC1=CC=CC(Br)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189343	0	40	-1.0	-47.45	353.39	5.78	-41.67
O=C(CCCOC1=CC=CC(Br)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189343	1	40	-1.0	-47.43	353.47	5.80	-41.63
CC1=C(C)C2=C(SCC(=O)N3CCC(C4=N[N-]N=N4)C3)N=CN=C2S1	REAL300020189344	0	41	-1.0	-44.20	361.62	5.75	-38.45
CC1=C(C)C2=C(SCC(=O)N3CCC(C4=NN=N[N-]4)C3)N=CN=C2S1	REAL300020189344	1	41	-1.0	-44.22	361.69	5.76	-38.46
CC1=CC=C(C)C(C(=O)CCC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020189345	0	44	-1.0	-42.55	359.67	6.73	-35.82
CC1=CC=C(C)C(C(=O)CCC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020189345	1	44	-1.0	-42.58	359.74	6.75	-35.83
COC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1OC(F)F	REAL300020189346	0	38	-1.0	-45.29	318.40	3.05	-42.24
COC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1OC(F)F	REAL300020189346	1	38	-1.0	-45.32	318.48	3.06	-42.26
NS(=O)(=O)C1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020189347	0	35	-1.0	-48.21	304.21	-1.49	-49.70
NS(=O)(=O)C1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020189347	1	35	-1.0	-48.21	304.28	-1.47	-49.68
O=C(C1=CC=C(OCC2=CC=CC=C2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189348	0	44	-1.0	-45.09	361.21	6.84	-38.25
O=C(C1=CC=C(OCC2=CC=CC=C2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189348	1	44	-1.0	-45.13	361.28	6.86	-38.27
CCCCCOC1=CC=C(C(=O)CCC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020189349	0	54	-1.0	-42.80	438.00	7.99	-34.81
CCCCCOC1=CC=C(C(=O)CCC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020189349	1	54	-1.0	-42.76	438.07	8.00	-34.76
O=C(CCC1=NC(=O)C2=CC=CC=C2N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189350	0	41	-1.0	-52.58	346.64	3.58	-49.00
O=C(CCC1=NC(=O)C2=CC=CC=C2N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189350	1	41	-1.0	-52.56	346.72	3.59	-48.97
CCCC1=CC=C(C(=O)CCC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020189351	0	47	-1.0	-42.42	386.74	7.61	-34.81
CCCC1=CC=C(C(=O)CCC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020189351	1	47	-1.0	-42.46	386.81	7.62	-34.84
CC[C@H](C)[C@H](NC(=O)OCC1=CC=CC=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189352	0	53	-1.0	-41.17	418.94	5.62	-35.55
CC[C@H](C)[C@H](NC(=O)OCC1=CC=CC=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189352	1	53	-1.0	-41.17	419.01	5.63	-35.54
O=C(C=CC1=CC=CC=C1OC(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020189353	0	38	-1.0	-47.50	328.00	4.87	-42.63
O=C(C=CC1=CC=CC=C1OC(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020189353	1	38	-1.0	-47.57	328.08	4.88	-42.69
O=C(C1=CC(Br)=CC=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020189354	0	30	-1.0	-41.38	289.73	4.83	-36.55
O=C(C1=CC(Br)=CC=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020189354	1	30	-1.0	-41.38	289.80	4.83	-36.55
O=C(CC1=CC=C(Cl)C=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020189355	0	33	-1.0	-44.18	311.41	5.69	-38.49
O=C(CC1=CC=C(Cl)C=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020189355	1	33	-1.0	-44.21	311.48	5.71	-38.50
O=C(CN1C(=O)C2=CC=CC=C2C1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189356	0	37	-1.0	-52.51	325.93	3.93	-48.58
O=C(CN1C(=O)C2=CC=CC=C2C1=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189356	1	37	-1.0	-52.55	326.01	3.93	-48.62
O=C(CCC(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=C(F)C=C1	REAL300020189357	0	38	-1.0	-42.21	328.75	5.45	-36.76
O=C(CCC(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=C(F)C=C1	REAL300020189357	1	38	-1.0	-42.21	328.82	5.47	-36.74
O=C(C1=CC=CC(S(=O)(=O)N2CCOCC2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189358	0	46	-1.0	-50.61	377.55	1.15	-49.46
O=C(C1=CC=CC(S(=O)(=O)N2CCOCC2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189358	1	46	-1.0	-50.63	377.62	1.15	-49.48
O=C(C1=CC=CC=C1I)N1CCC(C2=N[N-]N=N2)C1	REAL300020189359	0	30	-1.0	-42.98	278.66	4.77	-38.21
O=C(C1=CC=CC=C1I)N1CCC(C2=NN=N[N-]2)C1	REAL300020189359	1	30	-1.0	-43.00	278.73	4.78	-38.22
O=C(C1=CC=CC(S(=O)(=O)N2CCCCC2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189360	0	48	-1.0	-46.96	391.06	3.70	-43.26
O=C(C1=CC=CC(S(=O)(=O)N2CCCCC2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189360	1	48	-1.0	-46.96	391.14	3.70	-43.26
O=C(C1=CC=CC(OC2=CC=CC=C2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189361	0	41	-1.0	-47.26	339.58	6.44	-40.82
O=C(C1=CC=CC(OC2=CC=CC=C2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189361	1	41	-1.0	-47.27	339.65	6.45	-40.82
O=C(CCC(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=CS1	REAL300020189362	0	35	-1.0	-42.88	313.24	4.47	-38.41
O=C(CCC(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=CS1	REAL300020189362	1	35	-1.0	-42.87	313.31	4.49	-38.38
NC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1[N+](=O)[O-]	REAL300020189363	0	34	-1.0	-43.54	290.51	2.29	-41.25
NC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1[N+](=O)[O-]	REAL300020189363	1	34	-1.0	-43.55	290.59	2.31	-41.24
O=C(C1=CC=C(OC2=CC=CC=C2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189364	0	41	-1.0	-43.31	338.75	6.41	-36.90
O=C(C1=CC=C(OC2=CC=CC=C2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189364	1	41	-1.0	-43.33	338.82	6.43	-36.90
O=C(C1=CC=CC(C(F)(F)F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189365	0	33	-1.0	-45.00	289.09	4.59	-40.41
O=C(C1=CC=CC(C(F)(F)F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189365	1	33	-1.0	-45.00	289.16	4.59	-40.41
O=C(C1=CC=C(Cl)C=C1[N+](=O)[O-])N1CCC(C2=N[N-]N=N2)C1	REAL300020189366	0	32	-1.0	-48.32	295.92	5.79	-42.53
O=C(C1=CC=C(Cl)C=C1[N+](=O)[O-])N1CCC(C2=NN=N[N-]2)C1	REAL300020189366	1	32	-1.0	-48.29	295.99	5.80	-42.49
CCOC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC(OCC)=C1OCC	REAL300020189367	0	51	-1.0	-43.15	407.25	5.49	-37.66
CCOC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC(OCC)=C1OCC	REAL300020189367	1	51	-1.0	-43.15	407.32	5.49	-37.66
O=C(C1=CC=C(I)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189368	0	30	-1.0	-41.44	277.68	4.66	-36.78
O=C(C1=CC=C(I)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189368	1	30	-1.0	-41.42	277.76	4.67	-36.75
O=C(C=CC1=CC=C([N+](=O)[O-])C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189369	0	36	-1.0	-46.17	318.06	5.90	-40.27
O=C(C=CC1=CC=C([N+](=O)[O-])C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189369	1	36	-1.0	-46.12	318.13	5.91	-40.21
O=C(CCCOC1=CC=C(Cl)C=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020189370	0	40	-1.0	-47.84	364.86	6.23	-41.61
O=C(CCCOC1=CC=C(Cl)C=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020189370	1	40	-1.0	-47.86	364.93	6.24	-41.62
CC(OC1=CC=C(Cl)C=C1Cl)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189371	0	37	-1.0	-46.96	336.15	6.16	-40.80
CC(OC1=CC=C(Cl)C=C1Cl)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189371	1	37	-1.0	-46.94	336.22	6.16	-40.78
O=C(C1=CC=C(Cl)C=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020189372	0	30	-1.0	-41.42	285.13	4.72	-36.70
O=C(C1=CC=C(Cl)C=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020189372	1	30	-1.0	-41.42	285.20	4.73	-36.69
COC1=CC=C(CC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1OC	REAL300020189373	0	41	-1.0	-48.18	339.48	3.96	-44.22
COC1=CC=C(CC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020189373	1	41	-1.0	-48.19	339.55	3.97	-44.22
COC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1OC	REAL300020189374	0	38	-1.0	-44.24	308.65	2.77	-41.47
COC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020189374	1	38	-1.0	-44.28	308.73	2.79	-41.49
CSC1=CC=C(Cl)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020189375	0	34	-1.0	-43.53	308.57	5.24	-38.29
CSC1=CC=C(Cl)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020189375	1	34	-1.0	-43.54	308.64	5.24	-38.30
O=C(CC1=C(Cl)C=CC=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020189376	0	33	-1.0	-43.38	308.83	5.60	-37.78
O=C(CC1=C(Cl)C=CC=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020189376	1	33	-1.0	-43.43	308.90	5.62	-37.81
O=C(CC1=CC=CC(C(F)(F)F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189377	0	36	-1.0	-45.33	319.79	5.77	-39.56
O=C(CC1=CC=CC(C(F)(F)F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189377	1	36	-1.0	-45.31	319.86	5.79	-39.52
COC1=CC(CCC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC(OC)=C1OC	REAL300020189378	0	48	-1.0	-46.36	394.04	4.69	-41.67
COC1=CC(CCC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC(OC)=C1OC	REAL300020189378	1	48	-1.0	-46.39	394.11	4.70	-41.69
COC(=O)C1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC([N+](=O)[O-])=C1	REAL300020189379	0	38	-1.0	-42.46	332.83	4.88	-37.58
COC(=O)C1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC([N+](=O)[O-])=C1	REAL300020189379	1	38	-1.0	-42.47	332.91	4.90	-37.57
CC1=CC(Cl)=CC=C1OCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189380	0	37	-1.0	-45.71	326.45	5.90	-39.81
CC1=CC(Cl)=CC=C1OCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189380	1	37	-1.0	-45.73	326.52	5.92	-39.81
O=C(C=CC1=CC=CC(Cl)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189381	0	34	-1.0	-44.03	306.63	5.76	-38.27
O=C(C=CC1=CC=CC(Cl)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189381	1	34	-1.0	-44.05	306.70	5.76	-38.29
COC1=CC=C(C=CC(=O)N2CCC(C3=N[N-]N=N3)C2)C(OC)=C1	REAL300020189382	0	42	-1.0	-47.81	346.90	3.90	-43.91
COC1=CC=C(C=CC(=O)N2CCC(C3=NN=N[N-]3)C2)C(OC)=C1	REAL300020189382	1	42	-1.0	-47.85	346.97	3.91	-43.94
O=C(C=CC1=CC=CC=C1[N+](=O)[O-])N1CCC(C2=N[N-]N=N2)C1	REAL300020189383	0	36	-1.0	-53.74	312.91	5.72	-48.02
O=C(C=CC1=CC=CC=C1[N+](=O)[O-])N1CCC(C2=NN=N[N-]2)C1	REAL300020189383	1	36	-1.0	-53.74	312.98	5.74	-48.00
COC1=CC(C=CC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC(OC)=C1OC	REAL300020189384	0	46	-1.0	-46.95	381.69	4.38	-42.57
COC1=CC(C=CC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC(OC)=C1OC	REAL300020189384	1	46	-1.0	-46.95	381.76	4.40	-42.55
CC1=NC(COC2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2)=NO1	REAL300020189385	0	42	-1.0	-49.16	352.66	2.37	-46.79
CC1=NC(COC2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2)=NO1	REAL300020189385	1	42	-1.0	-49.13	352.73	2.38	-46.75
O=C(C1=CC=C(S(=O)(=O)NC2=CC=CC=C2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189386	0	45	-1.0	-47.12	381.19	3.49	-43.63
O=C(C1=CC=C(S(=O)(=O)NC2=CC=CC=C2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189386	1	45	-1.0	-47.13	381.27	3.50	-43.63
O=C(C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189386	1	44	-2.0	-86.88	378.58	3.51	-83.37
O=C(C1=CC=C(S(=O)(=O)[N-]C2=CC=CC=C2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189386	1	44	-2.0	-86.94	378.66	3.53	-83.41
O=C(C1=CC=CC(OC(F)F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189387	0	34	-1.0	-43.83	289.28	3.15	-40.68
O=C(C1=CC=CC(OC(F)F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189387	1	34	-1.0	-43.84	289.35	3.16	-40.68
O=C(CSC1=CC(Cl)=CC=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020189388	0	34	-1.0	-44.17	331.00	6.23	-37.94
O=C(CSC1=CC(Cl)=CC=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020189388	1	34	-1.0	-44.16	331.07	6.23	-37.93
O=C(CSC1=CC=CC2=CC=CC(Cl)=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020189389	0	40	-1.0	-48.05	353.10	7.73	-40.32
O=C(CSC1=CC=CC2=CC=CC(Cl)=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020189389	1	40	-1.0	-48.07	353.17	7.73	-40.34
O=C(CC1=CC=C(C2=CC=CC=C2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189390	0	43	-1.0	-46.07	354.94	8.19	-37.88
O=C(CC1=CC=C(C2=CC=CC=C2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189390	1	43	-1.0	-46.03	355.01	8.20	-37.83
O=C(C1=CC=CC(I)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189391	0	30	-1.0	-40.89	277.83	4.66	-36.23
O=C(C1=CC=CC(I)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189391	1	30	-1.0	-40.92	277.90	4.67	-36.25
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=NN1C1=NNC(=O)C=C1	REAL300020189392	0	39	-1.0	-45.70	326.61	1.99	-43.71
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=NN1C1=NNC(=O)C=C1	REAL300020189392	1	39	-1.0	-45.72	326.69	1.99	-43.73
O=C(CSC1=CC2=CC=CC=C2C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189393	0	40	-1.0	-46.04	345.33	7.51	-38.53
O=C(CSC1=CC2=CC=CC=C2C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189393	1	40	-1.0	-46.06	345.41	7.52	-38.54
CN1C2=C(C(=O)N(C)C1=O)N(CC(=O)N1CCC(C3=N[N-]N=N3)C1)C=N2	REAL300020189394	0	42	-1.0	-53.25	354.96	4.85	-48.40
CN1C2=C(C(=O)N(C)C1=O)N(CC(=O)N1CCC(C3=NN=N[N-]3)C1)C=N2	REAL300020189394	1	42	-1.0	-53.29	355.03	4.86	-48.43
O=C(C1=CC(C2=CC=CC=C2)=NC2=CC=CC=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020189395	0	45	-1.0	-43.90	369.48	7.76	-36.14
O=C(C1=CC(C2=CC=CC=C2)=NC2=CC=CC=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020189395	1	45	-1.0	-43.90	369.41	7.75	-36.15
O=C(CC1=CC=CC2=CC=CC=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020189396	0	39	-1.0	-46.10	323.40	6.90	-39.20
O=C(CC1=CC=CC2=CC=CC=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020189396	1	39	-1.0	-46.13	323.47	6.90	-39.23
CC1=NN(C2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2)C(C)=C1	REAL300020189397	0	43	-1.0	-47.55	349.20	5.74	-41.81
CC1=NN(C2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2)C(C)=C1	REAL300020189397	1	43	-1.0	-47.53	349.28	5.75	-41.78
O=C(CCCOC1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189398	0	40	-1.0	-46.98	332.10	5.16	-41.82
O=C(CCCOC1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189398	1	40	-1.0	-46.95	332.17	5.17	-41.78
O=C(C1=CC=C2N=CSC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189399	0	32	-1.0	-43.54	281.23	2.95	-40.59
O=C(C1=CC=C2N=CSC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189399	1	32	-1.0	-43.53	281.16	2.94	-40.59
CSCCC(NC(=O)C1=CC=CC=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189400	0	47	-1.0	-42.30	391.99	5.01	-37.29
CSCCC(NC(=O)C1=CC=CC=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189400	1	47	-1.0	-42.26	392.07	5.03	-37.23
CC1=CC=C(C(=O)NC(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(C)C)C=C1	REAL300020189401	0	49	-1.0	-41.68	382.42	5.21	-36.47
CC1=CC=C(C(=O)NC(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(C)C)C=C1	REAL300020189401	1	49	-1.0	-41.63	382.49	5.22	-36.41
CC(C)C(NC(=O)C1=CC=C(C(C)(C)C)C=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189402	0	58	-1.0	-41.04	437.12	6.86	-34.18
CC(C)C(NC(=O)C1=CC=C(C(C)(C)C)C=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189402	1	58	-1.0	-41.07	437.20	6.86	-34.21
CCOC1=CC=C(OCCCC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020189403	0	47	-1.0	-47.57	383.45	5.37	-42.20
CCOC1=CC=C(OCCCC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020189403	1	47	-1.0	-47.56	383.53	5.38	-42.18
CC(=O)C1=C(C)NC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1C	REAL300020189404	0	39	-1.0	-46.75	322.64	3.73	-43.02
CC(=O)C1=C(C)NC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1C	REAL300020189404	1	39	-1.0	-46.75	322.71	3.74	-43.01
O=C(C1=CC=C(Br)O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189405	0	27	-1.0	-38.84	259.02	2.78	-36.06
O=C(C1=CC=C(Br)O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189405	1	27	-1.0	-38.86	259.09	2.79	-36.07
CCCCCOC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020189406	0	46	-1.0	-43.44	365.80	6.14	-37.30
CCCCCOC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020189406	1	46	-1.0	-43.43	365.87	6.16	-37.27
O=C(C1=CN=CC(Br)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189407	0	29	-1.0	-40.16	266.39	2.42	-37.74
O=C(C1=CN=CC(Br)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189407	1	29	-1.0	-40.17	266.32	2.41	-37.76
O=C(CC1=C(F)C=CC=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020189408	0	33	-1.0	-44.39	300.07	5.22	-39.17
O=C(CC1=C(F)C=CC=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020189408	1	33	-1.0	-44.41	300.14	5.22	-39.19
O=C(C1=CC=CC(Cl)=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020189409	0	30	-1.0	-44.28	283.61	4.67	-39.61
O=C(C1=CC=CC(Cl)=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020189409	1	30	-1.0	-44.30	283.68	4.68	-39.62
O=C(C1=CC(Cl)=CC=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020189410	0	30	-1.0	-41.56	285.16	4.73	-36.83
O=C(C1=CC(Cl)=CC=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020189410	1	30	-1.0	-41.60	285.23	4.74	-36.86
O=C(C1=CC(Cl)=CC(Cl)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189411	0	30	-1.0	-39.92	283.51	4.58	-35.34
O=C(C1=CC(Cl)=CC(Cl)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189411	1	30	-1.0	-39.89	283.58	4.59	-35.30
O=C(CC1=CC=C(Cl)C(Cl)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189412	0	33	-1.0	-44.42	312.65	5.73	-38.69
O=C(CC1=CC=C(Cl)C(Cl)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189412	1	33	-1.0	-44.44	312.72	5.75	-38.69
CCN(CC)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020189413	0	44	-1.0	-44.94	344.81	5.86	-39.08
CCN(CC)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020189413	1	44	-1.0	-44.99	344.88	5.87	-39.12
COC1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1OC	REAL300020189414	0	38	-1.0	-48.07	315.82	3.74	-44.33
COC1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1OC	REAL300020189414	1	38	-1.0	-48.06	315.89	3.74	-44.32
COC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(OC)=C1	REAL300020189415	0	38	-1.0	-46.57	312.02	3.15	-43.42
COC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(OC)=C1	REAL300020189415	1	38	-1.0	-46.61	312.10	3.15	-43.46
COC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC(OC)=C1	REAL300020189416	0	38	-1.0	-45.01	308.99	2.17	-42.84
COC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC(OC)=C1	REAL300020189416	1	38	-1.0	-45.02	309.06	2.18	-42.84
O=C(C1=CC=C(C2=CC=CC=C2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189417	0	40	-1.0	-44.48	323.98	6.96	-37.52
O=C(C1=CC=C(C2=CC=CC=C2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189417	1	40	-1.0	-44.51	324.05	6.97	-37.54
O=C(C(C1=CC=CC=C1)C1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189418	0	43	-1.0	-45.09	347.14	7.71	-37.38
O=C(C(C1=CC=CC=C1)C1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189418	1	43	-1.0	-45.08	347.22	7.72	-37.36
O=C(COC1=CC=C(Cl)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189419	0	34	-1.0	-45.84	306.37	5.20	-40.64
O=C(COC1=CC=C(Cl)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189419	1	34	-1.0	-45.86	306.44	5.21	-40.65
O=C(CCC(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=C(Cl)C=C1	REAL300020189420	0	38	-1.0	-41.90	339.07	5.90	-36.00
O=C(CCC(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=C(Cl)C=C1	REAL300020189420	1	38	-1.0	-41.87	339.15	5.92	-35.95
CC(C)C(NC(=O)C1=CC=C(Cl)C=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189421	0	46	-1.0	-40.26	377.74	5.06	-35.20
CC(C)C(NC(=O)C1=CC=C(Cl)C=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189421	1	46	-1.0	-40.29	377.81	5.06	-35.23
CC(C)CC(NC(=O)C1=CC=C(Cl)C=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189422	0	49	-1.0	-39.70	399.13	5.56	-34.14
CC(C)CC(NC(=O)C1=CC=C(Cl)C=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189422	1	49	-1.0	-39.79	399.21	5.58	-34.21
O=C(CCC1=NC2=CC=CC=C2N1C1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189423	0	49	-1.0	-46.00	408.05	9.25	-36.75
O=C(CCC1=NC2=CC=CC=C2N1C1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189423	1	49	-1.0	-46.00	408.12	9.26	-36.74
CN1N=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C2=CC=CC=C2C1=O	REAL300020189424	0	38	-1.0	-41.70	316.58	3.64	-38.06
CN1N=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C2=CC=CC=C2C1=O	REAL300020189424	1	38	-1.0	-41.78	316.65	3.65	-38.13
O=C(COC1=CC=CC=C1)NCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189425	0	41	-1.0	-45.55	348.62	3.11	-42.44
O=C(COC1=CC=CC=C1)NCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189425	1	41	-1.0	-45.58	348.69	3.12	-42.46
CCOC1=CC=C(C(=O)NC(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(C)C)C=C1	REAL300020189426	0	53	-1.0	-41.84	414.67	5.14	-36.70
CCOC1=CC=C(C(=O)NC(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(C)C)C=C1	REAL300020189426	1	53	-1.0	-41.85	414.74	5.14	-36.71
CC(C)C(C(=O)N1CCC(C2=N[N-]N=N2)C1)N1C(=O)C2=CC=CC=C2C1=O	REAL300020189427	0	46	-1.0	-51.37	370.40	7.24	-44.13
CC(C)C(C(=O)N1CCC(C2=NN=N[N-]2)C1)N1C(=O)C2=CC=CC=C2C1=O	REAL300020189427	1	46	-1.0	-51.39	370.48	7.26	-44.13
COC1=CC=C(C(=O)NC(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(C)C)C=C1	REAL300020189428	0	50	-1.0	-41.93	390.42	3.85	-38.08
COC1=CC=C(C(=O)NC(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(C)C)C=C1	REAL300020189428	1	50	-1.0	-41.94	390.49	3.85	-38.09
CCOC1=CC=CC=C1C(=O)NC(C(=O)N1CCC(C2=N[N-]N=N2)C1)C(C)C	REAL300020189429	0	53	-1.0	-44.59	412.42	6.32	-38.27
CCOC1=CC=CC=C1C(=O)NC(C(=O)N1CCC(C2=NN=N[N-]2)C1)C(C)C	REAL300020189429	1	53	-1.0	-44.59	412.49	6.34	-38.25
CC1=CC=C(C(=O)CCC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020189430	0	41	-1.0	-42.85	343.75	6.07	-36.78
CC1=CC=C(C(=O)CCC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020189430	1	41	-1.0	-42.89	343.82	6.08	-36.81
O=C(CCC1=CNC2=CC=CC=C12)N1CCC(C2=N[N-]N=N2)C1	REAL300020189431	0	40	-1.0	-45.65	334.04	5.63	-40.02
O=C(CCC1=CNC2=CC=CC=C12)N1CCC(C2=NN=N[N-]2)C1	REAL300020189431	1	40	-1.0	-45.68	334.11	5.64	-40.04
CC1=CC(C)=NC(SCC(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020189432	0	38	-1.0	-46.84	334.95	4.02	-42.82
CC1=CC(C)=NC(SCC(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020189432	1	38	-1.0	-46.89	335.03	4.04	-42.85
O=C(CNC(=O)C1=C(Cl)C2=CC=CC=C2S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189433	0	40	-1.0	-44.55	366.82	4.46	-40.09
O=C(CNC(=O)C1=C(Cl)C2=CC=CC=C2S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189433	1	40	-1.0	-44.57	366.89	4.47	-40.10
CN(CC(=O)N1CCC(C2=N[N-]N=N2)C1)S(=O)(=O)C1=CC=C(Cl)C=C1	REAL300020189434	0	41	-1.0	-45.86	370.98	2.98	-42.88
CN(CC(=O)N1CCC(C2=NN=N[N-]2)C1)S(=O)(=O)C1=CC=C(Cl)C=C1	REAL300020189434	1	41	-1.0	-45.86	371.05	3.00	-42.86
CC1(C2=CC=C(F)C=C2)NC(=O)N(CC(=O)N2CCC(C3=N[N-]N=N3)C2)C1=O	REAL300020189435	0	45	-1.0	-49.66	382.23	3.85	-45.81
CC1(C2=CC=C(F)C=C2)NC(=O)N(CC(=O)N2CCC(C3=NN=N[N-]3)C2)C1=O	REAL300020189435	1	45	-1.0	-49.64	382.31	3.87	-45.77
CC1=CC=C(C)C(SCC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020189436	0	40	-1.0	-44.32	339.15	6.49	-37.83
CC1=CC=C(C)C(SCC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020189436	1	40	-1.0	-44.31	339.22	6.50	-37.81
CC1=CC(SCC(=O)N2CCC(C3=N[N-]N=N3)C2)=C(C)C=C1Br	REAL300020189437	0	40	-1.0	-43.39	357.20	6.99	-36.40
CC1=CC(SCC(=O)N2CCC(C3=NN=N[N-]3)C2)=C(C)C=C1Br	REAL300020189437	1	40	-1.0	-43.44	357.28	7.01	-36.43
O=C(COC1=CC=CC=C1[N+](=O)[O-])N1CCC(C2=N[N-]N=N2)C1	REAL300020189438	0	36	-1.0	-59.75	315.66	5.84	-53.91
O=C(COC1=CC=CC=C1[N+](=O)[O-])N1CCC(C2=NN=N[N-]2)C1	REAL300020189438	1	36	-1.0	-59.75	315.74	5.85	-53.90
O=C(C=CC1=CC(Cl)=C2OCOC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189439	0	37	-1.0	-44.87	332.65	4.41	-40.46
O=C(C=CC1=CC(Cl)=C2OCOC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189439	1	37	-1.0	-44.85	332.73	4.42	-40.43
O=C(CCN1NC(=O)C2=CC=CC=C2C1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189440	0	42	-1.0	-47.28	357.33	2.67	-44.61
O=C(CCN1NC(=O)C2=CC=CC=C2C1=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189440	1	42	-1.0	-47.29	357.41	2.68	-44.61
CC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C(C)N1CC1=CC=CO1	REAL300020189441	0	44	-1.0	-47.15	354.00	6.16	-40.99
CC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C(C)N1CC1=CC=CO1	REAL300020189441	1	44	-1.0	-47.18	354.07	6.18	-41.00
CC(C)C(NC(=O)C1=CC=CS1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189442	0	43	-1.0	-41.24	355.39	3.86	-37.38
CC(C)C(NC(=O)C1=CC=CS1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189442	1	43	-1.0	-41.21	355.47	3.88	-37.33
CC1=NC2=NC=NN2C(C)=C1CCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189443	0	43	-1.0	-49.16	353.09	7.47	-41.69
CC1=NC2=NC=NN2C(C)=C1CCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189443	1	43	-1.0	-49.16	353.17	7.47	-41.69
C[C@H](NC(=O)OCC1=CC=CC=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189444	0	44	-1.0	-41.95	371.07	3.51	-38.44
C[C@H](NC(=O)OCC1=CC=CC=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189444	1	44	-1.0	-41.95	371.14	3.53	-38.42
O=C(CSC1=CC=C2CCCC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189445	0	41	-1.0	-44.95	344.81	7.16	-37.79
O=C(CSC1=CC=C2CCCC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189445	1	41	-1.0	-44.96	344.88	7.17	-37.79
O=C(COC1=CC=C(F)C=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020189446	0	34	-1.0	-48.46	312.09	5.29	-43.17
O=C(COC1=CC=C(F)C=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020189446	1	34	-1.0	-48.44	312.16	5.29	-43.15
O=C(NC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1)C1=CC=CS1	REAL300020189447	0	41	-1.0	-47.18	353.84	4.58	-42.60
O=C(NC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1)C1=CC=CS1	REAL300020189447	1	41	-1.0	-47.23	353.91	4.59	-42.64
O=C(CCNC(=O)C1=CSC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189448	0	37	-1.0	-53.23	328.55	2.12	-51.11
O=C(CCNC(=O)C1=CSC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189448	1	37	-1.0	-53.25	328.63	2.14	-51.11
O=C(CCCNC(=O)C1=CSC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189449	0	40	-1.0	-47.60	350.04	2.94	-44.66
O=C(CCCNC(=O)C1=CSC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189449	1	40	-1.0	-47.60	350.11	2.94	-44.66
CC(CC(=O)N1CCC(C2=N[N-]N=N2)C1)NC(=O)C1=CC=CC=C1	REAL300020189450	0	43	-1.0	-52.07	356.56	4.36	-47.71
CC(CC(=O)N1CCC(C2=NN=N[N-]2)C1)NC(=O)C1=CC=CC=C1	REAL300020189450	1	43	-1.0	-52.07	356.63	4.37	-47.70
CC(=O)NC(CC(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=C(Cl)C=C1	REAL300020189451	0	43	-1.0	-42.63	366.56	4.61	-38.02
CC(=O)NC(CC(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=C(Cl)C=C1	REAL300020189451	1	43	-1.0	-42.63	366.64	4.62	-38.01
CC(=O)NC(CC(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=C(C)C=C1	REAL300020189452	0	46	-1.0	-43.13	370.92	4.78	-38.35
CC(=O)NC(CC(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=C(C)C=C1	REAL300020189452	1	46	-1.0	-43.15	370.99	4.79	-38.36
CC(SC1=CC=C([N+](=O)[O-])C=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189453	0	39	-1.0	-46.29	343.23	6.26	-40.03
CC(SC1=CC=C([N+](=O)[O-])C=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189453	1	39	-1.0	-46.31	343.30	6.27	-40.04
O=C(C1=CC=C2OCCCOC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189454	0	39	-1.0	-43.07	312.83	3.52	-39.55
O=C(C1=CC=C2OCCCOC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189454	1	39	-1.0	-43.11	312.91	3.52	-39.59
O=C(CCCN1C(=O)CNC1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189455	0	38	-1.0	-52.98	323.62	0.49	-52.49
O=C(CCCN1C(=O)CNC1=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189455	1	38	-1.0	-52.94	323.70	0.51	-52.43
O=C(C1=CC=C(C2SCCCS2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189456	0	42	-1.0	-44.11	354.69	7.13	-36.98
O=C(C1=CC=C(C2SCCCS2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189456	1	42	-1.0	-44.13	354.76	7.13	-37.00
COC1=CC=C(SCC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020189457	0	38	-1.0	-45.40	328.72	4.54	-40.86
COC1=CC=C(SCC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020189457	1	38	-1.0	-45.36	328.79	4.55	-40.81
O=C(C=CC1=NC2=CC=CC=C2O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189458	0	36	-1.0	-46.15	315.14	2.32	-43.83
O=C(C=CC1=NC2=CC=CC=C2O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189458	1	36	-1.0	-46.14	315.22	2.33	-43.81
O=C(C1=CC=C2OCC(=O)NC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189459	0	36	-1.0	-44.96	300.74	0.78	-44.18
O=C(C1=CC=C2OCC(=O)NC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189459	1	36	-1.0	-44.99	300.81	0.80	-44.19
CC1=CC=C(C(=O)CCC(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020189460	0	38	-1.0	-42.87	335.02	5.30	-37.57
CC1=CC=C(C(=O)CCC(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020189460	1	38	-1.0	-42.91	335.10	5.31	-37.60
O=C(C1=CC(Cl)=C2OCOC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189461	0	33	-1.0	-41.98	292.80	2.74	-39.24
O=C(C1=CC(Cl)=C2OCOC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189461	1	33	-1.0	-42.00	292.87	2.76	-39.24
O=C(C1=CC=C2SCCC(=O)NC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189462	0	39	-1.0	-44.66	326.53	2.95	-41.71
O=C(C1=CC=C2SCCC(=O)NC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189462	1	39	-1.0	-44.66	326.61	2.96	-41.70
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189463	0	37	-2.0	-87.33	329.77	0.69	-86.64
CS(=O)(=O)[N-]C1=CC=C(F)C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189463	1	37	-2.0	-87.40	329.84	0.71	-86.69
O=C(C=CC1=CC(Cl)=C2OCCOC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189464	0	40	-1.0	-45.49	350.30	4.93	-40.56
O=C(C=CC1=CC(Cl)=C2OCCOC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189464	1	40	-1.0	-45.50	350.37	4.94	-40.56
CC1=CC=C(NC(=O)C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020189465	0	37	-1.0	-38.88	311.91	2.96	-35.92
CC1=CC=C(NC(=O)C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020189465	1	37	-1.0	-38.89	311.99	2.98	-35.91
CCOC1=CC=C(SCC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020189466	0	41	-1.0	-45.16	350.57	5.47	-39.69
CCOC1=CC=C(SCC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020189466	1	41	-1.0	-45.19	350.65	5.48	-39.71
O=C(CCC1=NC2=CC=CC=C2O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189467	0	38	-1.0	-46.00	324.46	2.54	-43.46
O=C(CCC1=NC2=CC=CC=C2O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189467	1	38	-1.0	-45.98	324.54	2.55	-43.43
O=C(C1=CC(Cl)=C2OCCOC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189468	0	36	-1.0	-43.40	310.28	3.24	-40.16
O=C(C1=CC(Cl)=C2OCCOC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189468	1	36	-1.0	-43.40	310.35	3.24	-40.16
O=C(CSC1=CC=C(C(F)(F)F)C=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189469	0	36	-1.0	-42.39	336.54	4.66	-37.73
O=C(CSC1=CC=C(C(F)(F)F)C=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189469	1	36	-1.0	-42.36	336.46	4.66	-37.70
O=C(C1=CC=C(CN2CCCC2=O)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189470	0	44	-1.0	-48.39	357.36	5.33	-43.06
O=C(C1=CC=C(CN2CCCC2=O)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189470	1	44	-1.0	-48.40	357.44	5.34	-43.06
O=C(CCN1C(=O)NC2(CCCC2)C1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189471	0	45	-1.0	-46.80	367.86	2.24	-44.56
O=C(CCN1C(=O)NC2(CCCC2)C1=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189471	1	45	-1.0	-46.75	367.94	2.24	-44.51
NS(=O)(=O)C1=CC=C(CCC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020189472	0	41	-1.0	-48.98	356.37	0.53	-48.45
NS(=O)(=O)C1=CC=C(CCC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020189472	1	41	-1.0	-48.99	356.44	0.54	-48.45
CNS(=O)(=O)C1=CC=C(CCC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020189473	0	44	-1.0	-48.32	378.74	1.74	-46.58
CNS(=O)(=O)C1=CC=C(CCC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020189473	1	44	-1.0	-48.30	378.81	1.76	-46.54
O=C(CN1C=C(C(F)(F)F)C=CC1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189474	0	36	-1.0	-49.68	323.65	4.31	-45.37
O=C(CN1C=C(C(F)(F)F)C=CC1=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189474	1	36	-1.0	-49.70	323.73	4.31	-45.39
COC1=CC=C(CCC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1Br	REAL300020189475	0	40	-1.0	-44.53	352.04	5.55	-38.98
COC1=CC=C(CCC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1Br	REAL300020189475	1	40	-1.0	-44.50	352.12	5.55	-38.95
CC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC(S(=O)(=O)N(C)C)=C1C	REAL300020189476	0	47	-1.0	-52.07	369.95	2.58	-49.49
CC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC(S(=O)(=O)N(C)C)=C1C	REAL300020189476	1	47	-1.0	-52.06	370.02	2.58	-49.48
O=C(C=CC1=CC=C(N2C=CN=C2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189477	0	41	-1.0	-47.55	345.70	7.63	-39.92
O=C(C=CC1=CC=C(N2C=CN=C2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189477	1	41	-1.0	-47.56	345.77	7.63	-39.93
O=C(C1=CC=C(S(=O)(=O)NC2CC2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189478	0	42	-1.0	-47.46	359.00	1.40	-46.06
O=C(C1=CC=C(S(=O)(=O)NC2CC2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189478	1	42	-1.0	-47.48	359.08	1.42	-46.06
CC1=CC(N2C=CN=C2SCC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC(C)=C1	REAL300020189479	0	47	-1.0	-45.20	403.96	8.49	-36.71
CC1=CC(N2C=CN=C2SCC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC(C)=C1	REAL300020189479	1	47	-1.0	-45.19	403.88	8.49	-36.70
CC1=CC=CC=C1N1C=CN=C1SCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189480	0	44	-1.0	-44.89	377.53	7.54	-37.35
CC1=CC=CC=C1N1C=CN=C1SCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189480	1	44	-1.0	-44.89	377.46	7.53	-37.36
CC1=CC=CC(N2C=CN=C2SCC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1C	REAL300020189481	0	47	-1.0	-44.82	394.63	8.07	-36.75
CC1=CC=CC(N2C=CN=C2SCC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1C	REAL300020189481	1	47	-1.0	-44.84	394.55	8.07	-36.77
CC1=CC=C(C)C(N2C=CN=C2SCC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020189482	0	47	-1.0	-44.77	399.52	8.44	-36.33
CC1=CC=C(C)C(N2C=CN=C2SCC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020189482	1	47	-1.0	-44.78	399.45	8.42	-36.36
O=C(CCC1=NC2=CC=CC=C2C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189483	0	41	-1.0	-45.21	342.58	5.95	-39.26
O=C(CCC1=NC2=CC=CC=C2C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189483	1	41	-1.0	-45.22	342.65	5.96	-39.26
CSC1=NC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)N1C1=CC=CC=C1	REAL300020189484	0	41	-1.0	-45.08	353.53	6.43	-38.65
CSC1=NC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)N1C1=CC=CC=C1	REAL300020189484	1	41	-1.0	-45.06	353.46	6.43	-38.63
CC1=NN(C2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2)C(C)=C1Cl	REAL300020189485	0	43	-1.0	-45.80	364.85	6.23	-39.57
CC1=NN(C2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2)C(C)=C1Cl	REAL300020189485	1	43	-1.0	-45.84	364.93	6.24	-39.60
O=C(C1=CC=C2NC(=O)COC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189486	0	36	-1.0	-47.20	300.71	0.80	-46.40
O=C(C1=CC=C2NC(=O)COC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189486	1	36	-1.0	-47.21	300.78	0.81	-46.40
COC1=CC=C(N2C=CN=C2SCC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020189487	0	45	-1.0	-45.37	390.68	6.46	-38.91
COC1=CC=C(N2C=CN=C2SCC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020189487	1	45	-1.0	-45.34	390.60	6.46	-38.88
O=C(C1=CC=C(Cl)C=C1)N1CCCC(C(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020189488	0	47	-1.0	-45.34	389.20	6.23	-39.11
O=C(C1=CC=C(Cl)C=C1)N1CCCC(C(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020189488	1	47	-1.0	-45.35	389.27	6.24	-39.11
O=C(C1=CC=C(N2C=CC=N2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189489	0	37	-1.0	-47.89	308.43	4.78	-43.11
O=C(C1=CC=C(N2C=CC=N2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189489	1	37	-1.0	-47.83	308.35	4.76	-43.07
CC1=CC=C(OCC(=O)N2CCC(C3=N[N-]N=N3)C2)C(Br)=C1	REAL300020189490	0	37	-1.0	-48.72	331.47	5.99	-42.73
CC1=CC=C(OCC(=O)N2CCC(C3=NN=N[N-]3)C2)C(Br)=C1	REAL300020189490	1	37	-1.0	-48.74	331.55	6.01	-42.73
CON(C)S(=O)(=O)C1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020189491	0	42	-1.0	-46.84	357.18	1.53	-45.31
CON(C)S(=O)(=O)C1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020189491	1	42	-1.0	-46.86	357.26	1.55	-45.31
O=C(COCC1=NC2=CC=CC=C2S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189492	0	39	-1.0	-53.18	346.88	4.61	-48.57
O=C(COCC1=NC2=CC=CC=C2S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189492	1	39	-1.0	-53.20	346.95	4.62	-48.58
O=C(C1=CC(Cl)=C2OCCCOC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189493	0	39	-1.0	-42.78	328.68	4.04	-38.74
O=C(C1=CC(Cl)=C2OCCCOC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189493	1	39	-1.0	-42.72	328.75	4.05	-38.67
O=C(C1CCN(C2=CC=C(C(F)(F)F)C=N2)CC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189494	0	47	-1.0	-37.47	385.89	5.42	-32.05
O=C(C1CCN(C2=CC=C(C(F)(F)F)C=N2)CC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189494	1	47	-1.0	-37.53	385.96	5.43	-32.10
CC(C)(C)OC(=O)N1CCC(C(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020189495	0	50	-1.0	-39.23	383.86	4.84	-34.39
CC(C)(C)OC(=O)N1CCC(C(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020189495	1	50	-1.0	-39.27	383.93	4.86	-34.41
O=C(C1=CC2=CC=C(F)C=C2S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189496	0	33	-1.0	-40.75	295.63	5.23	-35.52
O=C(C1=CC2=CC=C(F)C=C2S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189496	1	33	-1.0	-40.78	295.71	5.23	-35.55
O=C(C=CC1=CC(Cl)=C2OCCCOC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189497	0	43	-1.0	-45.11	368.71	5.74	-39.37
O=C(C=CC1=CC(Cl)=C2OCCCOC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189497	1	43	-1.0	-45.16	368.78	5.74	-39.42
COC1=CC=CC(C=CC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1OC(F)F	REAL300020189498	0	42	-1.0	-50.12	359.18	4.83	-45.29
COC1=CC=CC(C=CC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1OC(F)F	REAL300020189498	1	42	-1.0	-50.09	359.25	4.84	-45.25
CN1CC(=O)N(CCCC(=O)N2CCC(C3=N[N-]N=N3)C2)C1=O	REAL300020189499	0	41	-1.0	-53.31	346.04	2.89	-50.42
CN1CC(=O)N(CCCC(=O)N2CCC(C3=NN=N[N-]3)C2)C1=O	REAL300020189499	1	41	-1.0	-53.32	346.11	2.90	-50.42
O=C(CC1=CC=C(OC(F)F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189500	0	37	-1.0	-47.58	319.98	4.36	-43.22
O=C(CC1=CC=C(OC(F)F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189500	1	37	-1.0	-47.54	320.05	4.36	-43.18
O=C(C1=CC=C(F)C=C1Br)N1CCC(C2=N[N-]N=N2)C1	REAL300020189501	0	30	-1.0	-41.19	279.01	4.39	-36.80
O=C(C1=CC=C(F)C=C1Br)N1CCC(C2=NN=N[N-]2)C1	REAL300020189501	1	30	-1.0	-41.20	279.08	4.40	-36.80
O=C(C1=C2NC3=C(CCCC3)C2=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189502	0	44	-1.0	-44.07	349.20	6.21	-37.86
O=C(C1=C2NC3=C(CCCC3)C2=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189502	1	44	-1.0	-44.07	349.29	6.22	-37.85
CS(=O)(=O)N1CCC2=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=CC=C21	REAL300020189503	0	42	-1.0	-52.23	348.10	2.27	-49.96
CS(=O)(=O)N1CCC2=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=CC=C21	REAL300020189503	1	42	-1.0	-52.28	348.17	2.28	-50.00
COC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC2=C1OCCO2	REAL300020189504	0	40	-1.0	-44.73	323.49	2.58	-42.15
COC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC2=C1OCCO2	REAL300020189504	1	40	-1.0	-44.72	323.56	2.58	-42.14
COC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1Br	REAL300020189505	0	34	-1.0	-42.25	299.84	3.53	-38.72
COC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1Br	REAL300020189505	1	34	-1.0	-42.26	299.92	3.54	-38.72
CC1CC2=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=CC=C2N1S(C)(=O)=O	REAL300020189506	0	45	-1.0	-51.63	363.81	3.09	-48.54
CC1CC2=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=CC=C2N1S(C)(=O)=O	REAL300020189506	1	45	-1.0	-51.62	363.88	3.10	-48.52
O=C(CC1=CC2=C(C=C1Br)OCCO2)N1CCC(C2=N[N-]N=N2)C1	REAL300020189507	0	39	-1.0	-46.82	342.91	4.39	-42.43
O=C(CC1=CC2=C(C=C1Br)OCCO2)N1CCC(C2=NN=N[N-]2)C1	REAL300020189507	1	39	-1.0	-46.86	342.98	4.40	-42.46
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=NN1C1=CC=CC=C1F	REAL300020189508	0	40	-1.0	-47.75	334.12	5.39	-42.36
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=NN1C1=CC=CC=C1F	REAL300020189508	1	40	-1.0	-47.73	334.19	5.40	-42.33
CN(CC(=O)N1CCC(C2=N[N-]N=N2)C1)C1=NS(=O)(=O)C2=CC=CC=C21	REAL300020189509	0	42	-1.0	-64.17	358.87	2.15	-62.02
CN(CC(=O)N1CCC(C2=NN=N[N-]2)C1)C1=NS(=O)(=O)C2=CC=CC=C21	REAL300020189509	1	42	-1.0	-64.14	358.94	2.17	-61.97
O=C(C=CC1=C(Cl)C2=CC=CC=C2S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189510	0	37	-1.0	-44.41	341.68	7.18	-37.23
O=C(C=CC1=C(Cl)C2=CC=CC=C2S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189510	1	37	-1.0	-44.46	341.76	7.19	-37.27
COC(=O)C1=CN(CC(=O)N2CCC(C3=N[N-]N=N3)C2)C2=CC=CC=C12	REAL300020189511	0	43	-1.0	-53.13	369.05	6.80	-46.33
COC(=O)C1=CN(CC(=O)N2CCC(C3=NN=N[N-]3)C2)C2=CC=CC=C12	REAL300020189511	1	43	-1.0	-53.13	369.12	6.81	-46.32
O=C(CCN1C(=O)COC2=CC=CC=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020189512	0	42	-1.0	-45.47	348.21	4.01	-41.46
O=C(CCN1C(=O)COC2=CC=CC=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020189512	1	42	-1.0	-45.49	348.29	4.01	-41.48
O=C(C1=CC=CC(N2C=CC=C2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189513	0	38	-1.0	-43.48	310.91	6.34	-37.14
O=C(C1=CC=CC(N2C=CC=C2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189513	1	38	-1.0	-43.47	310.98	6.36	-37.11
CS(=O)(=O)CC1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020189514	0	39	-1.0	-57.34	335.07	1.75	-55.59
CS(=O)(=O)CC1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020189514	1	39	-1.0	-57.33	335.15	1.76	-55.57
CC1=NN(CC2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2)C(C)=C1[N+](=O)[O-]	REAL300020189515	0	48	-1.0	-49.97	405.87	7.00	-42.97
CC1=NN(CC2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2)C(C)=C1[N+](=O)[O-]	REAL300020189515	1	48	-1.0	-49.99	405.95	7.02	-42.97
O=C(COC1=CC=C(C2SCCCS2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189516	0	46	-1.0	-47.61	394.32	8.24	-39.37
O=C(COC1=CC=C(C2SCCCS2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189516	1	46	-1.0	-47.60	394.39	8.26	-39.34
CS(=O)(=O)N1CCCC2=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=CC=C21	REAL300020189517	0	45	-1.0	-50.36	359.95	2.86	-47.50
CS(=O)(=O)N1CCCC2=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=CC=C21	REAL300020189517	1	45	-1.0	-50.38	360.02	2.88	-47.50
COC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1S(=O)(=O)NC1CC1	REAL300020189518	0	46	-1.0	-46.95	387.14	1.20	-45.75
COC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1S(=O)(=O)NC1CC1	REAL300020189518	1	46	-1.0	-46.97	387.21	1.20	-45.77
CC(=O)NC1=CC=C(CC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020189519	0	40	-1.0	-50.23	336.81	3.67	-46.56
CC(=O)NC1=CC=C(CC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020189519	1	40	-1.0	-50.24	336.88	3.67	-46.57
CC(=O)NCC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020189520	0	40	-1.0	-47.85	331.80	2.59	-45.26
CC(=O)NCC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020189520	1	40	-1.0	-47.89	331.88	2.60	-45.29
O=C(C1=CC(C2=CC=CC=C2)=CS1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189521	0	37	-1.0	-43.64	318.21	6.22	-37.42
O=C(C1=CC(C2=CC=CC=C2)=CS1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189521	1	37	-1.0	-43.64	318.28	6.22	-37.42
O=C(C1=CC=C(F)C=C1F)N1CCC(C(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020189522	0	47	-1.0	-54.27	385.78	5.87	-48.40
O=C(C1=CC=C(F)C=C1F)N1CCC(C(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020189522	1	47	-1.0	-54.26	385.86	5.89	-48.37
O=C(CCCNC(=O)C1=CC=C(F)C=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020189523	0	43	-1.0	-49.17	369.65	4.16	-45.01
O=C(CCCNC(=O)C1=CC=C(F)C=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020189523	1	43	-1.0	-49.14	369.73	4.17	-44.97
O=C(C1=CC=C(N2C=NN=N2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020189524	0	35	-1.0	-50.77	298.30	3.75	-47.02
O=C(C1=CC=C(N2C=NN=N2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020189524	1	35	-1.0	-50.78	298.22	3.74	-47.04
CCOC1=CC=CC=C1CCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189525	0	43	-1.0	-44.54	352.29	5.87	-38.67
CCOC1=CC=CC=C1CCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189525	1	43	-1.0	-44.54	352.36	5.87	-38.67
O=C(NC1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1)C1=CC=CS1	REAL300020189526	0	41	-1.0	-46.35	353.89	4.58	-41.77
O=C(NC1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1)C1=CC=CS1	REAL300020189526	1	41	-1.0	-46.34	353.97	4.59	-41.75
CC1=CSC(=O)N1CCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020189527	0	36	-1.0	-46.57	314.60	3.27	-43.30
CC1=CSC(=O)N1CCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020189527	1	36	-1.0	-46.57	314.67	3.29	-43.28
CC(C)C1=CC=C(OCC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020189528	0	43	-1.0	-46.30	349.84	6.61	-39.69
CC(C)C1=CC=C(OCC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020189528	1	43	-1.0	-46.27	349.92	6.62	-39.65
CC1(CN2C=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)N=N2)COC1	REAL300020193302	0	40	-1.0	-45.43	329.10	1.26	-44.17
CC1(CN2C=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)N=N2)COC1	REAL300020193302	1	40	-1.0	-45.45	329.02	1.25	-44.20
COC1=CC2=C(C=C1C(=O)N1CCC(C3=N[N-]N=N3)C1)OCO2	REAL300020193303	0	37	-1.0	-45.12	308.71	2.48	-42.64
COC1=CC2=C(C=C1C(=O)N1CCC(C3=NN=N[N-]3)C1)OCO2	REAL300020193303	1	37	-1.0	-45.16	308.79	2.49	-42.67
COC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1N1C=NN=N1	REAL300020193304	0	39	-1.0	-48.57	325.44	3.29	-45.28
COC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1N1C=NN=N1	REAL300020193304	1	39	-1.0	-48.55	325.36	3.28	-45.27
CN1CCC2=NC3=CC=CC=C3C(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C2C1	REAL300020193305	0	47	-1.0	-43.19	376.80	3.89	-39.30
CN1CCC2=NC3=CC=CC=C3C(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C2C1	REAL300020193305	1	47	-1.0	-43.23	376.87	3.90	-39.33
CC(C)(C)C(Br)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193306	0	35	-1.0	-40.07	290.00	3.90	-36.17
CC(C)(C)C(Br)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193306	1	35	-1.0	-40.09	290.07	3.91	-36.18
O=C(C1=CC=C([O-])C([N+](=O)[O-])=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193307	0	32	-2.0	-81.65	283.43	3.31	-78.34
O=C(C1=CC=C([O-])C([N+](=O)[O-])=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193307	1	32	-2.0	-81.64	283.50	3.32	-78.32
O=C(C1=CC(F)=C(F)C([O-])=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020193308	0	30	-2.0	-86.15	279.57	1.82	-84.33
O=C(C1=CC(F)=C(F)C([O-])=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020193308	1	30	-2.0	-86.15	279.64	1.83	-84.32
O=C(C1=CC=C(O)C(C2=CC=CC=C2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193309	0	41	-1.0	-46.74	338.50	4.55	-42.19
O=C(C1=CC=C(O)C(C2=CC=CC=C2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193309	1	41	-1.0	-46.74	338.58	4.55	-42.19
COC1=CC(C=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C2=CC=CC=C2)=CC=C1O	REAL300020193310	0	49	-1.0	-43.51	395.25	5.22	-38.29
COC1=CC(C=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C2=CC=CC=C2)=CC=C1O	REAL300020193310	1	49	-1.0	-43.54	395.32	5.24	-38.30
CCN1CCC2=NC3=CC=CC=C3C(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C2C1	REAL300020193311	0	50	-1.0	-43.40	388.87	4.10	-39.30
CCN1CCC2=NC3=CC=CC=C3C(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C2C1	REAL300020193311	1	50	-1.0	-43.39	388.94	4.12	-39.27
O=C(C1CCN(C2=NC3=C(O)C=CC=C3C=C2)CC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193312	0	51	-1.0	-48.07	404.84	3.87	-44.20
O=C(C1CCN(C2=NC3=C(O)C=CC=C3C=C2)CC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193312	1	51	-1.0	-48.05	404.91	3.87	-44.18
O=C(CC1=CC=C(O)C=C1)NCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193313	0	41	-1.0	-45.45	350.71	0.38	-45.07
O=C(CC1=CC=C(O)C=C1)NCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193313	1	41	-1.0	-45.44	350.79	0.39	-45.05
CC1=CC=C(C(=O)NCCC(=O)N2CCC(C3=N[N-]N=N3)C2)C(O)=C1	REAL300020193314	0	44	-1.0	-55.08	367.44	2.42	-52.66
CC1=CC=C(C(=O)NCCC(=O)N2CCC(C3=NN=N[N-]3)C2)C(O)=C1	REAL300020193314	1	44	-1.0	-55.08	367.52	2.43	-52.65
O=C(CCCC1=CC=C(O)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193315	0	40	-1.0	-47.17	334.66	3.50	-43.67
O=C(CCCC1=CC=C(O)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193315	1	40	-1.0	-47.21	334.73	3.51	-43.70
CCCCC(ON=C(C)C)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193316	0	45	-1.0	-45.89	360.48	6.00	-39.89
CCCCC(ON=C(C)C)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193316	1	45	-1.0	-45.85	360.55	6.02	-39.83
CN(C)C1=NC2=CC=CC=C2C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020193317	0	43	-1.0	-43.69	346.87	5.66	-38.03
CN(C)C1=NC2=CC=CC=C2C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020193317	1	43	-1.0	-43.69	346.80	5.65	-38.04
COC1=CC=CC(C2=NOC(SCC(=O)N3CCC(C4=NN=N[N-]4)C3)=N2)=C1	REAL300020193318	0	43	-1.0	-46.84	382.98	3.20	-43.64
COC1=CC=CC(C2=NOC(SCC(=O)N3CCC(C4=N[N-]N=N4)C3)=N2)=C1	REAL300020193318	1	43	-1.0	-46.82	382.91	3.19	-43.63
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=NN1C1CCCCC1	REAL300020193319	0	46	-1.0	-43.48	354.49	5.34	-38.14
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=NN1C1CCCCC1	REAL300020193319	1	46	-1.0	-43.48	354.56	5.34	-38.14
COC1=CC=C(CC(C)C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1OC	REAL300020193320	0	47	-1.0	-45.21	376.79	5.09	-40.12
COC1=CC=C(CC(C)C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020193320	1	47	-1.0	-45.21	376.86	5.10	-40.11
CCC1(C(=O)N2CCC(C3=N[N-]N=N3)C2)CCN(C(=O)C2=CC=CC=C2)CC1	REAL300020193321	0	53	-1.0	-48.88	388.14	6.08	-42.80
CCC1(C(=O)N2CCC(C3=NN=N[N-]3)C2)CCN(C(=O)C2=CC=CC=C2)CC1	REAL300020193321	1	53	-1.0	-48.91	388.22	6.08	-42.83
O=C(C1CC(C2=CC=CC=C2[N+](=O)[O-])=NO1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193322	0	40	-1.0	-59.77	338.19	5.36	-54.41
O=C(C1CC(C2=CC=CC=C2[N+](=O)[O-])=NO1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193322	1	40	-1.0	-59.73	338.27	5.38	-54.35
COC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC(OC)=C1C(C)C	REAL300020193323	0	47	-1.0	-42.88	362.47	4.57	-38.31
COC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC(OC)=C1C(C)C	REAL300020193323	1	47	-1.0	-42.88	362.54	4.57	-38.31
O=C(CCC1=CC=C([N+](=O)[O-])C=C1[N+](=O)[O-])N1CCC(C2=N[N-]N=N2)C1	REAL300020193324	0	40	-1.0	-49.19	349.84	6.63	-42.56
O=C(CCC1=CC=C([N+](=O)[O-])C=C1[N+](=O)[O-])N1CCC(C2=NN=N[N-]2)C1	REAL300020193324	1	40	-1.0	-49.17	349.91	6.64	-42.53
CN1C=NC(C2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2)=N1	REAL300020193325	0	39	-1.0	-49.21	328.18	5.67	-43.54
CN1C=NC(C2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2)=N1	REAL300020193325	1	39	-1.0	-49.17	328.11	5.66	-43.51
CC(O)(CC(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020193326	0	40	-1.0	-42.68	320.96	3.85	-38.83
CC(O)(CC(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020193326	1	40	-1.0	-42.66	321.04	3.87	-38.79
CN1N=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1Br	REAL300020193327	0	30	-1.0	-43.14	272.47	1.85	-41.29
CN1N=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1Br	REAL300020193327	1	30	-1.0	-43.13	272.39	1.84	-41.29
O=C(C1=C(Br)N(C2=CC=CC=C2)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193328	0	37	-1.0	-44.46	326.99	5.16	-39.30
O=C(C1=C(Br)N(C2=CC=CC=C2)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193328	1	37	-1.0	-44.40	326.91	5.14	-39.26
O=C(C1=CC2=C(C=N1)OCCC2)N1CCC(C2=N[N-]N=N2)C1	REAL300020193329	0	37	-1.0	-43.03	303.32	3.35	-39.68
O=C(C1=CC2=C(C=N1)OCCC2)N1CCC(C2=NN=N[N-]2)C1	REAL300020193329	1	37	-1.0	-42.98	303.40	3.35	-39.63
COC1=CC(Br)=CC=C1CCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193330	0	40	-1.0	-43.45	351.73	5.57	-37.88
COC1=CC(Br)=CC=C1CCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193330	1	40	-1.0	-43.43	351.80	5.57	-37.86
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020193331	0	52	0.0	-81.04	405.11	9.05	-71.99
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020193331	1	52	0.0	-71.04	405.02	9.06	-61.98
C[N@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020193331	1	52	0.0	-81.05	405.18	9.06	-71.99
C[N@@H+](CC1=CC=CC=C1)CC1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020193331	1	52	0.0	-71.06	405.09	9.07	-61.99
COC1=CC=C(C(=O)CCC(=O)N2CCC(C3=N[N-]N=N3)C2)C(OC)=C1OC	REAL300020193332	0	50	-1.0	-46.87	413.72	5.66	-41.21
COC1=CC=C(C(=O)CCC(=O)N2CCC(C3=NN=N[N-]3)C2)C(OC)=C1OC	REAL300020193332	1	50	-1.0	-46.88	413.80	5.68	-41.20
CC(C)(C)OC(=O)NC(CC(=O)N1CCC(C2=N[N-]N=N2)C1)C1CC1	REAL300020193333	0	50	-1.0	-49.42	391.55	4.14	-45.28
CC(C)(C)OC(=O)NC(CC(=O)N1CCC(C2=NN=N[N-]2)C1)C1CC1	REAL300020193333	1	50	-1.0	-49.38	391.62	4.15	-45.23
CN1C=C(C2=CC=C(F)C(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C2)C=N1	REAL300020193334	0	40	-1.0	-51.40	339.95	5.09	-46.31
CN1C=C(C2=CC=C(F)C(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C2)C=N1	REAL300020193334	1	40	-1.0	-51.37	339.88	5.09	-46.28
CN1C=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(C(F)(F)F)=C1	REAL300020193335	0	34	-1.0	-52.54	296.58	4.31	-48.23
CN1C=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(C(F)(F)F)=C1	REAL300020193335	1	34	-1.0	-52.51	296.65	4.33	-48.18
CC1=CC(Br)=C2OC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=CC2=C1	REAL300020193336	0	36	-1.0	-40.95	326.97	5.76	-35.19
CC1=CC(Br)=C2OC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=CC2=C1	REAL300020193336	1	36	-1.0	-40.95	327.04	5.77	-35.18
O=C(C1=CSC(C2=CC=C(F)C(F)=C2)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193337	0	36	-1.0	-45.25	332.69	5.39	-39.86
O=C(C1=CSC(C2=CC=C(F)C(F)=C2)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193337	1	36	-1.0	-45.23	332.61	5.37	-39.86
CC(C)(C)OC(=O)NCCCCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193338	0	49	-1.0	-49.16	390.23	3.10	-46.06
CC(C)(C)OC(=O)NCCCCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193338	1	49	-1.0	-49.16	390.30	3.12	-46.04
O=C(CC(O)C1=CC=C(OCC2=CC=CC=C2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193339	0	51	-1.0	-48.26	420.26	6.58	-41.68
O=C(CC(O)C1=CC=C(OCC2=CC=CC=C2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193339	1	51	-1.0	-48.28	420.33	6.58	-41.70
O=C(NC1=CC=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1)OCC1=CC=CC=C1	REAL300020193340	0	48	-1.0	-45.66	399.14	6.22	-39.44
O=C(NC1=CC=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1)OCC1=CC=CC=C1	REAL300020193340	1	48	-1.0	-45.65	399.21	6.23	-39.42
O=C(C1=C(C2=CC=CC(C(F)(F)F)=C2)OC=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193341	0	39	-1.0	-47.30	347.59	4.05	-43.25
O=C(C1=C(C2=CC=CC(C(F)(F)F)=C2)OC=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193341	1	39	-1.0	-47.28	347.52	4.05	-43.23
CC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(SC2=CC=CC=C2)=C1	REAL300020193342	0	44	-1.0	-46.68	372.95	8.42	-38.26
CC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(SC2=CC=CC=C2)=C1	REAL300020193342	1	44	-1.0	-46.63	373.02	8.43	-38.20
O=C(COCCNC(=O)C1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193343	0	44	-1.0	-52.58	371.72	3.66	-48.92
O=C(COCCNC(=O)C1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193343	1	44	-1.0	-52.59	371.79	3.67	-48.92
CCOC1=CC=C(C(C)(C)C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1OCC	REAL300020193344	0	53	-1.0	-44.04	404.58	6.60	-37.44
CCOC1=CC=C(C(C)(C)C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1OCC	REAL300020193344	1	53	-1.0	-44.07	404.65	6.60	-37.47
CCCC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=NN1C1=CC=CC(F)=C1	REAL300020193345	0	46	-1.0	-44.13	375.82	6.76	-37.37
CCCC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=NN1C1=CC=CC(F)=C1	REAL300020193345	1	46	-1.0	-44.04	375.87	6.78	-37.26
CC1=NN(C(C)(C)C)C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193346	0	42	-1.0	-45.50	332.96	4.01	-41.49
CC1=NN(C(C)(C)C)C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193346	1	42	-1.0	-45.47	333.04	4.01	-41.46
CC(C)OC1=CN=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=N1	REAL300020193347	0	38	-1.0	-40.40	318.71	1.22	-39.18
CC(C)OC1=CN=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=N1	REAL300020193347	1	38	-1.0	-40.36	318.63	1.22	-39.14
O=C(C1=CC=C(OC(F)F)C([N+](=O)[O-])=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193348	0	36	-1.0	-47.27	315.18	4.58	-42.69
O=C(C1=CC=C(OC(F)F)C([N+](=O)[O-])=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193348	1	36	-1.0	-47.29	315.25	4.59	-42.70
COCCN1C=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(C)=N1	REAL300020193349	0	40	-1.0	-45.59	328.32	1.92	-43.67
COCCN1C=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(C)=N1	REAL300020193349	1	40	-1.0	-45.60	328.39	1.93	-43.67
O=C(C1=CC=C(F)C(F)=C1)C1=CC=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193350	0	42	-1.0	-51.66	368.42	7.24	-44.42
O=C(C1=CC=C(F)C(F)=C1)C1=CC=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193350	1	42	-1.0	-51.64	368.49	7.26	-44.38
O=C(C1=CC=C([N+](=O)[O-])C=C1[O-])N1CCC(C2=N[N-]N=N2)C1	REAL300020193351	0	32	-2.0	-90.92	288.73	3.36	-87.56
O=C(C1=CC=C([N+](=O)[O-])C=C1[O-])N1CCC(C2=NN=N[N-]2)C1	REAL300020193351	1	32	-2.0	-90.90	288.80	3.37	-87.53
O=C(C1=CC=C(SC2=CC=C(Cl)C=C2)O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193352	0	38	-1.0	-40.85	357.03	6.89	-33.96
O=C(C1=CC=C(SC2=CC=C(Cl)C=C2)O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193352	1	38	-1.0	-40.84	357.10	6.90	-33.94
O=C(C1=CC=CC(Br)=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020193353	0	30	-1.0	-44.08	287.82	4.77	-39.31
O=C(C1=CC=CC(Br)=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020193353	1	30	-1.0	-44.09	287.90	4.78	-39.31
CCCC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=NN1C1=CC=C(F)C=C1	REAL300020193354	0	46	-1.0	-43.07	375.68	6.77	-36.30
CCCC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=NN1C1=CC=C(F)C=C1	REAL300020193354	1	46	-1.0	-43.11	375.75	6.77	-36.34
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(C)N2N=CN=C2N1C	REAL300020193355	0	42	-1.0	-43.11	333.04	6.85	-36.26
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(C)N2N=CN=C2N1C	REAL300020193355	1	42	-1.0	-43.14	332.97	6.84	-36.30
CC(C(=O)N1CCC(C2=N[N-]N=N2)C1)N(C)CC(F)(F)F	REAL300020193356	0	37	-1.0	-44.17	300.45	1.58	-42.59
CC(C(=O)N1CCC(C2=NN=N[N-]2)C1)N(C)CC(F)(F)F	REAL300020193356	1	37	-1.0	-44.14	300.53	1.60	-42.54
O=C(C1=CC(F)=CC2=NNN=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020193357	0	32	-1.0	-44.91	281.59	1.11	-43.80
O=C(C1=CC(F)=CC2=NNN=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020193357	1	32	-1.0	-44.90	281.67	1.11	-43.79
CCCCOC1=CC(OCCC)=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193358	0	53	-1.0	-45.86	420.23	7.39	-38.47
CCCCOC1=CC(OCCC)=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193358	1	53	-1.0	-45.85	420.31	7.39	-38.46
O=C(N1CCC(C2=N[N-]N=N2)C1)C12CC(C3=CC=CC=C3)(C1)C2	REAL300020193359	0	41	-1.0	-42.87	334.72	7.06	-35.81
O=C(N1CCC(C2=NN=N[N-]2)C1)C12CC(C3=CC=CC=C3)(C1)C2	REAL300020193359	1	41	-1.0	-42.88	334.80	7.08	-35.80
CC(O)(CN1C(=O)C(C)(C)C2=CC=CC=C21)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193360	0	51	-1.0	-45.03	401.41	4.07	-40.96
CC(O)(CN1C(=O)C(C)(C)C2=CC=CC=C21)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193360	1	51	-1.0	-45.01	401.48	4.09	-40.92
CCCC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=NN1C1=CC=C(C)C=C1	REAL300020193361	0	49	-1.0	-44.44	390.61	7.37	-37.07
CCCC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=NN1C1=CC=C(C)C=C1	REAL300020193361	1	49	-1.0	-44.43	390.68	7.38	-37.05
CC(C)(C)OC(=O)N1CCC(F)(F)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020193362	0	50	-1.0	-46.85	394.10	4.92	-41.93
CC(C)(C)OC(=O)N1CCC(F)(F)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020193362	1	50	-1.0	-46.86	394.17	4.93	-41.93
COC1=CC(Cl)=C(Br)C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193363	0	34	-1.0	-42.37	318.70	4.89	-37.48
COC1=CC(Cl)=C(Br)C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193363	1	34	-1.0	-42.40	318.77	4.89	-37.51
CC(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=CC([N+](=O)[O-])=C1	REAL300020193364	0	38	-1.0	-43.02	325.34	5.81	-37.21
CC(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=CC([N+](=O)[O-])=C1	REAL300020193364	1	38	-1.0	-43.04	325.41	5.83	-37.21
COC1=CC=C2CCC(C(=O)N3CCC(C4=N[N-]N=N4)C3)C2=C1	REAL300020193365	0	41	-1.0	-48.57	331.96	4.99	-43.58
COC1=CC=C2CCC(C(=O)N3CCC(C4=NN=N[N-]4)C3)C2=C1	REAL300020193365	1	41	-1.0	-48.60	332.04	5.00	-43.60
CCOC1=NC(C(F)(F)F)=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193366	0	39	-1.0	-44.07	341.80	3.24	-40.83
CCOC1=NC(C(F)(F)F)=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193366	1	39	-1.0	-44.10	341.72	3.23	-40.87
O=C(C1=CC(Br)=C(F)C=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020193367	0	30	-1.0	-40.77	286.96	4.43	-36.34
O=C(C1=CC(Br)=C(F)C=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020193367	1	30	-1.0	-40.76	287.04	4.43	-36.33
COC(=O)C12CCC(C(=O)N3CCC(C4=N[N-]N=N4)C3)(CC1)C2	REAL300020193368	0	43	-1.0	-48.07	335.95	4.76	-43.31
COC(=O)C12CCC(C(=O)N3CCC(C4=NN=N[N-]4)C3)(CC1)C2	REAL300020193368	1	43	-1.0	-48.12	336.03	4.78	-43.34
COC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(OCCC(C)C)=C1	REAL300020193369	0	50	-1.0	-46.49	394.45	6.17	-40.32
COC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(OCCC(C)C)=C1	REAL300020193369	1	50	-1.0	-46.49	394.52	6.18	-40.31
CC(C)C1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=NN1C1=CC=CC=C1Cl	REAL300020193370	0	46	-1.0	-46.63	364.83	6.59	-40.04
CC(C)C1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=NN1C1=CC=CC=C1Cl	REAL300020193370	1	46	-1.0	-46.64	364.90	6.60	-40.04
CCC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=NN1C(CC)CC	REAL300020193371	0	48	-1.0	-43.90	373.47	5.64	-38.26
CCC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=NN1C(CC)CC	REAL300020193371	1	48	-1.0	-43.91	373.55	5.66	-38.25
N#CCCN1N=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1C1=CC=CC=C1	REAL300020193372	0	44	-1.0	-46.87	366.36	6.02	-40.85
N#CCCN1N=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1C1=CC=CC=C1	REAL300020193372	1	44	-1.0	-46.83	366.28	6.01	-40.82
O=C(N1CCC(C2=N[N-]N=N2)C1)C(F)(F)C1(O)CCCC1	REAL300020193373	0	37	-1.0	-39.35	299.12	1.71	-37.64
O=C(N1CCC(C2=NN=N[N-]2)C1)C(F)(F)C1(O)CCCC1	REAL300020193373	1	37	-1.0	-39.32	299.19	1.73	-37.59
CC(C)(COC1=CC(Cl)=CC(Cl)=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193374	0	43	-1.0	-40.76	369.75	6.16	-34.60
CC(C)(COC1=CC(Cl)=CC(Cl)=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193374	1	43	-1.0	-40.78	369.83	6.17	-34.61
O=C(C#CC1=CC=C(C(F)(F)F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193375	0	35	-1.0	-41.45	326.57	6.43	-35.02
O=C(C#CC1=CC=C(C(F)(F)F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193375	1	35	-1.0	-41.45	326.64	6.43	-35.02
CCN1C=C([N+](=O)[O-])C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020193376	0	35	-1.0	-52.33	303.86	4.49	-47.84
CCN1C=C([N+](=O)[O-])C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020193376	1	35	-1.0	-52.33	303.79	4.48	-47.85
O=C(N1CCC(C2=N[N-]N=N2)C1)C(F)(F)C1CCOCC1	REAL300020193377	0	37	-1.0	-37.58	298.88	2.48	-35.10
O=C(N1CCC(C2=NN=N[N-]2)C1)C(F)(F)C1CCOCC1	REAL300020193377	1	37	-1.0	-37.60	298.95	2.49	-35.11
COC1=CC(OC2CC2)=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193378	0	42	-1.0	-46.87	343.02	4.72	-42.15
COC1=CC(OC2CC2)=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193378	1	42	-1.0	-46.88	343.09	4.73	-42.15
CCCC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=NN1C1=CC=CC=C1C	REAL300020193379	0	49	-1.0	-44.51	387.81	7.64	-36.87
CCCC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=NN1C1=CC=CC=C1C	REAL300020193379	1	49	-1.0	-44.53	387.88	7.66	-36.87
CCCCN1N=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1CC	REAL300020193380	0	45	-1.0	-43.73	357.55	5.01	-38.72
CCCCN1N=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1CC	REAL300020193380	1	45	-1.0	-43.77	357.62	5.02	-38.75
CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193381	0	35	-2.0	-75.76	303.10	0.69	-75.07
CC(C)([N-]C(=O)C(F)(F)F)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193381	1	35	-2.0	-75.75	303.17	0.69	-75.06
CCC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=NN1CCC(C)C	REAL300020193382	0	48	-1.0	-43.53	375.11	5.51	-38.02
CCC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=NN1CCC(C)C	REAL300020193382	1	48	-1.0	-43.60	375.18	5.52	-38.08
O=C(N1CCC(C2=NN=N[N-]2)C1)C(F)(F)C1=NC=CS1	REAL300020193383	0	29	-1.0	-40.63	273.91	1.91	-38.72
O=C(N1CCC(C2=N[N-]N=N2)C1)C(F)(F)C1=NC=CS1	REAL300020193383	1	29	-1.0	-40.64	273.84	1.90	-38.74
CN1N=C(Br)C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193384	0	30	-1.0	-39.40	272.04	1.95	-37.45
CN1N=C(Br)C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193384	1	30	-1.0	-39.40	271.96	1.95	-37.45
O=C(C1=CC(F)=C(C(F)(F)F)C(F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193385	0	33	-1.0	-38.56	301.63	4.77	-33.79
O=C(C1=CC(F)=C(C(F)(F)F)C(F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193385	1	33	-1.0	-38.53	301.71	4.78	-33.75
CC(C)CC1=CC=C([C@H](C)C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020193386	0	48	-1.0	-36.64	375.74	7.86	-28.78
CC(C)CC1=CC=C([C@H](C)C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020193386	1	48	-1.0	-36.67	375.82	7.87	-28.80
O=C(CC1=CC=C2NC(=O)NC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193387	0	37	-1.0	-49.35	316.52	1.58	-47.77
O=C(CC1=CC=C2NC(=O)NC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193387	1	37	-1.0	-49.33	316.59	1.60	-47.73
O=C(C1=CC=CC(Br)=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020193388	0	30	-1.0	-46.19	280.42	4.38	-41.81
O=C(C1=CC=CC(Br)=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020193388	1	30	-1.0	-46.23	280.49	4.38	-41.85
O=C(N1CCC(C2=N[N-]N=N2)C1)C(F)(F)C1(O)CCCCC1	REAL300020193389	0	40	-1.0	-36.51	311.39	3.07	-33.44
O=C(N1CCC(C2=NN=N[N-]2)C1)C(F)(F)C1(O)CCCCC1	REAL300020193389	1	40	-1.0	-36.54	311.47	3.08	-33.46
CCCOC1=CC=CN=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193390	0	39	-1.0	-48.68	320.57	5.06	-43.62
CCCOC1=CC=CN=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193390	1	39	-1.0	-48.68	320.49	5.05	-43.63
COCCOC1=CC=C(CC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020193391	0	44	-1.0	-48.19	365.71	4.27	-43.92
COCCOC1=CC=C(CC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020193391	1	44	-1.0	-48.26	365.78	4.28	-43.98
CC(C)CN1N=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1C1=CC=CC=C1	REAL300020193392	0	49	-1.0	-45.05	380.52	6.59	-38.46
CC(C)CN1N=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1C1=CC=CC=C1	REAL300020193392	1	49	-1.0	-45.04	380.44	6.57	-38.47
CCCOC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(OC(C)C)=C1	REAL300020193393	0	50	-1.0	-46.63	395.14	6.34	-40.29
CCCOC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(OC(C)C)=C1	REAL300020193393	1	50	-1.0	-46.62	395.22	6.34	-40.28
CCCOC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(OC2CCCC2)=C1	REAL300020193394	0	54	-1.0	-46.93	420.32	7.70	-39.23
CCCOC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(OC2CCCC2)=C1	REAL300020193394	1	54	-1.0	-46.94	420.39	7.70	-39.24
CCCOC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(OCCCOC)=C1	REAL300020193395	0	54	-1.0	-48.14	432.41	5.68	-42.46
CCCOC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(OCCCOC)=C1	REAL300020193395	1	54	-1.0	-48.11	432.48	5.68	-42.43
CC(=O)NCC1CCN2N=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C2C1	REAL300020193396	0	47	-1.0	-52.50	373.49	2.15	-50.35
CC(=O)NCC1CCN2N=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C2C1	REAL300020193396	1	47	-1.0	-52.53	373.56	2.17	-50.36
O=C(C1=C(C2=CC=CC=C2)N(CCO)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193397	0	44	-1.0	-45.27	356.92	2.18	-43.09
O=C(C1=C(C2=CC=CC=C2)N(CCO)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193397	1	44	-1.0	-45.29	356.84	2.17	-43.12
C[NH+](C)C(CC(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020193398	0	45	0.0	-56.13	344.13	6.40	-49.73
C[NH+](C)C(CC(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020193398	1	45	0.0	-56.15	344.20	6.40	-49.75
O=C(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=C(Cl)S1	REAL300020193399	0	29	-1.0	-37.14	282.22	3.54	-33.60
O=C(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=C(Cl)S1	REAL300020193399	1	29	-1.0	-37.14	282.29	3.55	-33.59
COC(C)(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1F	REAL300020193400	0	40	-1.0	-45.39	313.96	4.20	-41.19
COC(C)(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1F	REAL300020193400	1	40	-1.0	-45.42	314.04	4.22	-41.20
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(C2=CC=C(C(F)(F)F)C=C2)=NO1	REAL300020193401	0	42	-1.0	-41.81	371.81	7.00	-34.81
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(C2=CC=C(C(F)(F)F)C=C2)=NO1	REAL300020193401	1	42	-1.0	-41.75	371.74	6.99	-34.76
CCCOC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(OCCC)=C1	REAL300020193402	0	50	-1.0	-45.83	398.73	6.60	-39.23
CCCOC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(OCCC)=C1	REAL300020193402	1	50	-1.0	-45.88	398.81	6.61	-39.27
O=C(C1=CN=C(OCC2=CC=CC=C2)C=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193403	0	42	-1.0	-41.04	358.49	3.35	-37.69
O=C(C1=CN=C(OCC2=CC=CC=C2)C=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193403	1	42	-1.0	-41.05	358.42	3.34	-37.71
CC1=C(Br)C=CC=C1CC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193404	0	36	-1.0	-44.37	315.95	5.81	-38.56
CC1=C(Br)C=CC=C1CC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193404	1	36	-1.0	-44.34	316.03	5.83	-38.51
CCC1=NN(C)C(CC)=C1CC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193405	0	45	-1.0	-47.73	363.16	4.96	-42.77
CCC1=NN(C)C(CC)=C1CC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193405	1	45	-1.0	-47.80	363.24	4.97	-42.83
CCOC1=C(Cl)C=CC=C1CC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193406	0	40	-1.0	-43.73	344.51	5.59	-38.14
CCOC1=C(Cl)C=CC=C1CC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193406	1	40	-1.0	-43.70	344.59	5.60	-38.10
O=C(C1=NN(C2=CC=CC(Br)=C2)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193407	0	36	-1.0	-41.20	333.33	4.45	-36.75
O=C(C1=NN(C2=CC=CC(Br)=C2)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193407	1	36	-1.0	-41.19	333.26	4.44	-36.75
CCC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=NN1C1=CC=CC=C1Cl	REAL300020193408	0	43	-1.0	-45.85	362.93	6.60	-39.25
CCC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=NN1C1=CC=CC=C1Cl	REAL300020193408	1	43	-1.0	-45.85	363.01	6.61	-39.24
O=C(C1=CC=C(C2=NNC=C2)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193409	0	34	-1.0	-45.42	304.16	2.95	-42.47
O=C(C1=CC=C(C2=NNC=C2)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193409	1	34	-1.0	-45.46	304.24	2.95	-42.51
O=C(C1=CC=NC=C1C(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020193410	0	32	-1.0	-43.81	282.86	2.91	-40.90
O=C(C1=CC=NC=C1C(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020193410	1	32	-1.0	-43.79	282.79	2.91	-40.88
C#CCC1(C(=O)N2CCC(C3=N[N-]N=N3)C2)CCCN1C(=O)OC(C)(C)C	REAL300020193411	0	52	-1.0	-54.35	391.66	6.04	-48.31
C#CCC1(C(=O)N2CCC(C3=NN=N[N-]3)C2)CCCN1C(=O)OC(C)(C)C	REAL300020193411	1	52	-1.0	-54.34	391.74	6.06	-48.28
O=C(C1CCCC[N@@H+]1C1CCCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193412	0	49	0.0	-58.25	350.49	6.86	-51.39
O=C(C1CCCC[N@H+]1C1CCCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193412	1	49	0.0	-57.32	346.68	6.04	-51.28
O=C(C1CCCC[N@@H+]1C1CCCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193412	1	49	0.0	-58.25	350.42	6.85	-51.40
O=C(C1CCCC[N@H+]1C1CCCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193412	1	49	0.0	-57.33	346.60	6.03	-51.30
C[C@H](OC1=CC=C(Cl)C=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193413	0	37	-1.0	-37.22	319.66	5.56	-31.66
C[C@H](OC1=CC=C(Cl)C=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193413	1	37	-1.0	-37.17	319.73	5.57	-31.60
O=C(CCOCC(F)(F)C(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020193414	0	36	-1.0	-41.72	326.13	3.42	-38.30
O=C(CCOCC(F)(F)C(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020193414	1	36	-1.0	-41.73	326.20	3.42	-38.31
COC1=CC=CC(C(=O)C2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2)=C1	REAL300020193415	0	46	-1.0	-46.58	376.61	6.11	-40.47
COC1=CC=CC(C(=O)C2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2)=C1	REAL300020193415	1	46	-1.0	-46.59	376.68	6.12	-40.47
O=C(C1=CC2=CC(Br)=CN=C2N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193416	0	34	-1.0	-45.42	307.51	3.64	-41.78
O=C(C1=CC2=CC(Br)=CN=C2N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193416	1	34	-1.0	-45.39	307.43	3.63	-41.76
O=C(C1=CC(F)=CC2=C1NC1=CC=C(F)C=C1C2=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193417	0	42	-1.0	-40.34	361.83	6.05	-34.29
O=C(C1=CC(F)=CC2=C1NC1=CC=C(F)C=C1C2=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193417	1	42	-1.0	-40.34	361.91	6.06	-34.28
O=C(C1=CC=C2NC3=CC=CC=C3C(=O)C2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193418	0	42	-1.0	-49.41	347.45	5.53	-43.88
O=C(C1=CC=C2NC3=CC=CC=C3C(=O)C2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193418	1	42	-1.0	-49.40	347.52	5.55	-43.85
CC(C)(C)OC(=O)NCC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CO1	REAL300020193419	0	47	-1.0	-46.91	381.88	2.34	-44.57
CC(C)(C)OC(=O)NCC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CO1	REAL300020193419	1	47	-1.0	-46.92	381.96	2.35	-44.57
CC(C)(C)OC(=O)N1CCC2(CC2C(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020193420	0	51	-1.0	-52.85	399.22	5.41	-47.44
CC(C)(C)OC(=O)N1CCC2(CC2C(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020193420	1	51	-1.0	-52.86	399.30	5.43	-47.43
O=C(C1=CNN=C1C1=CC2=CC=CC=C2O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193421	0	40	-1.0	-55.16	337.76	5.29	-49.87
O=C(C1=CNN=C1C1=CC2=CC=CC=C2O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193421	1	40	-1.0	-55.19	337.83	5.30	-49.89
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(C2=CC(C(F)(F)F)=CC=C2Cl)CC1	REAL300020193422	0	40	-1.0	-41.75	357.58	7.01	-34.74
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(C2=CC(C(F)(F)F)=CC=C2Cl)CC1	REAL300020193422	1	40	-1.0	-41.79	357.65	7.02	-34.77
O=C(C1C2CCC(O2)C1C(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020193423	0	38	-1.0	-40.56	307.49	2.88	-37.68
O=C(C1C2CCC(O2)C1C(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020193423	1	38	-1.0	-40.54	307.57	2.89	-37.65
CCC(=O)C1=CC=C(OCCCCC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020193424	0	51	-1.0	-47.78	416.49	7.25	-40.53
CCC(=O)C1=CC=C(OCCCCC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020193424	1	51	-1.0	-47.77	416.57	7.25	-40.52
O=C(C1=CN(CC(F)(F)F)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193425	0	33	-1.0	-46.45	294.37	2.77	-43.68
O=C(C1=CN(CC(F)(F)F)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193425	1	33	-1.0	-46.46	294.30	2.75	-43.71
CC(OC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1)C1=CC=CC=C1	REAL300020193426	0	47	-1.0	-44.27	378.04	7.47	-36.80
CC(OC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1)C1=CC=CC=C1	REAL300020193426	1	47	-1.0	-44.25	378.12	7.48	-36.77
CC(=O)NC1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1C	REAL300020193427	0	40	-1.0	-46.15	324.01	3.39	-42.76
CC(=O)NC1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1C	REAL300020193427	1	40	-1.0	-46.18	324.08	3.40	-42.78
CC(=O)NC1=CC=C(C)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020193428	0	40	-1.0	-51.13	328.08	3.23	-47.90
CC(=O)NC1=CC=C(C)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020193428	1	40	-1.0	-51.15	328.15	3.23	-47.92
CC(C)(C)OC(=O)NCCCCCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193429	0	52	-1.0	-47.17	411.73	3.88	-43.29
CC(C)(C)OC(=O)NCCCCCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193429	1	52	-1.0	-47.13	411.80	3.90	-43.23
CC1=CSC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1I	REAL300020193430	0	30	-1.0	-41.64	284.64	4.41	-37.23
CC1=CSC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1I	REAL300020193430	1	30	-1.0	-41.62	284.71	4.42	-37.20
CC(C)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1Cl	REAL300020193431	0	39	-1.0	-40.97	323.85	5.91	-35.06
CC(C)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020193431	1	39	-1.0	-40.94	323.93	5.92	-35.02
O=C(C1=CC(N2CCNC(=O)C2)=CC=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193432	0	42	-1.0	-51.74	340.20	0.01	-51.73
O=C(C1=CC(N2CCNC(=O)C2)=CC=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193432	1	42	-1.0	-51.79	340.27	0.01	-51.78
CC1C(=O)CCC(C(=O)N2CCC(C3=N[N-]N=N3)C2)C1(C)C	REAL300020193433	0	44	-1.0	-45.62	323.53	4.24	-41.38
CC1C(=O)CCC(C(=O)N2CCC(C3=NN=N[N-]3)C2)C1(C)C	REAL300020193433	1	44	-1.0	-45.69	323.60	4.25	-41.44
CCCN1C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC2=CC=CC=C21	REAL300020193434	0	43	-1.0	-43.02	344.67	6.85	-36.17
CCCN1C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC2=CC=CC=C21	REAL300020193434	1	43	-1.0	-43.02	344.74	6.86	-36.16
O=C(CC1CCC2(CC1)OCCO2)N1CCC(C2=N[N-]N=N2)C1	REAL300020193435	0	45	-1.0	-44.85	346.06	3.90	-40.95
O=C(CC1CCC2(CC1)OCCO2)N1CCC(C2=NN=N[N-]2)C1	REAL300020193435	1	45	-1.0	-44.89	346.13	3.92	-40.97
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(C2=CC=C(C(F)(F)F)C=C2)CC1	REAL300020193436	0	40	-1.0	-44.80	343.60	6.64	-38.16
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(C2=CC=C(C(F)(F)F)C=C2)CC1	REAL300020193436	1	40	-1.0	-44.82	343.67	6.67	-38.15
O=C(C1=CC=C(C2=CC=CC=C2OC(F)(F)F)O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193437	0	41	-1.0	-44.24	364.56	5.73	-38.51
O=C(C1=CC=C(C2=CC=CC=C2OC(F)(F)F)O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193437	1	41	-1.0	-44.25	364.63	5.75	-38.50
O=C(C1=CNN=C1C1=CSC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193438	0	34	-1.0	-46.98	296.53	2.70	-44.28
O=C(C1=CNN=C1C1=CSC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193438	1	34	-1.0	-46.93	296.60	2.70	-44.23
CC1=CC=C(C2=NNC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C2)C=C1C	REAL300020193439	0	43	-1.0	-42.07	350.51	5.30	-36.77
CC1=CC=C(C2=NNC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C2)C=C1C	REAL300020193439	1	43	-1.0	-42.07	350.58	5.31	-36.76
COC1C2CC3CC1CC(C(=O)N1CCC(C4=N[N-]N=N4)C1)(C3)C2	REAL300020193440	0	48	-1.0	-41.76	340.31	4.53	-37.23
COC1C2CC3CC1CC(C(=O)N1CCC(C4=NN=N[N-]4)C1)(C3)C2	REAL300020193440	1	48	-1.0	-41.78	340.39	4.53	-37.25
CN1C=C(C2=NN(C)C=C2C(=O)N2CCC(C3=NN=N[N-]3)C2)C=N1	REAL300020193441	0	40	-1.0	-52.81	332.82	2.76	-50.05
CN1C=C(C2=NN(C)C=C2C(=O)N2CCC(C3=N[N-]N=N3)C2)C=N1	REAL300020193441	1	40	-1.0	-52.82	332.75	2.76	-50.06
CC1=C(C)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C(C2=CC=CC=C2)O1	REAL300020193442	0	43	-1.0	-45.88	359.18	7.14	-38.74
CC1=C(C)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C(C2=CC=CC=C2)O1	REAL300020193442	1	43	-1.0	-45.89	359.25	7.14	-38.75
CCCC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1Cl	REAL300020193443	0	39	-1.0	-41.18	326.98	6.12	-35.06
CCCC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1Cl	REAL300020193443	1	39	-1.0	-41.18	327.06	6.14	-35.04
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(C2=CC(F)=CC(C(F)(F)F)=C2)CC1	REAL300020193444	0	40	-1.0	-44.72	350.57	6.74	-37.98
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(C2=CC(F)=CC(C(F)(F)F)=C2)CC1	REAL300020193444	1	40	-1.0	-44.71	350.64	6.75	-37.96
O=C(C1=CN(C2=CC=CC(Cl)=C2)N=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193445	0	36	-1.0	-41.83	326.99	4.42	-37.41
O=C(C1=CN(C2=CC=CC(Cl)=C2)N=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193445	1	36	-1.0	-41.84	326.92	4.42	-37.42
CN1C=C(C2=NNC=C2C(=O)N2CCC(C3=N[N-]N=N3)C2)C=N1	REAL300020193446	0	37	-1.0	-52.10	309.86	1.44	-50.66
CN1C=C(C2=NNC=C2C(=O)N2CCC(C3=NN=N[N-]3)C2)C=N1	REAL300020193446	1	37	-1.0	-52.08	309.94	1.45	-50.63
CC1=CC2=C(Br)C=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C2O1	REAL300020193447	0	36	-1.0	-46.22	325.11	5.51	-40.71
CC1=CC2=C(Br)C=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C2O1	REAL300020193447	1	36	-1.0	-46.20	325.18	5.51	-40.69
O=C(C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1)C1=CC=CC(O)=C1	REAL300020193448	0	43	-1.0	-46.42	358.16	3.96	-42.46
O=C(C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1)C1=CC=CC(O)=C1	REAL300020193448	1	43	-1.0	-46.44	358.23	3.97	-42.47
O=C(C1=CNC(=O)C2=CC=CC=C12)N1CCC(C2=N[N-]N=N2)C1	REAL300020193449	0	36	-1.0	-45.63	309.90	3.07	-42.56
O=C(C1=CNC(=O)C2=CC=CC=C12)N1CCC(C2=NN=N[N-]2)C1	REAL300020193449	1	36	-1.0	-45.69	309.98	3.09	-42.60
COC1=CC=C(SCCCC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020193450	0	44	-1.0	-47.19	371.90	6.09	-41.10
COC1=CC=C(SCCCC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020193450	1	44	-1.0	-47.20	371.97	6.10	-41.10
CN(CC(=O)N1CCC(C2=N[N-]N=N2)C1)C1CCS(=O)(=O)C1	REAL300020193451	0	41	-1.0	-52.27	334.20	-1.22	-53.49
CN(CC(=O)N1CCC(C2=NN=N[N-]2)C1)C1CCS(=O)(=O)C1	REAL300020193451	1	41	-1.0	-52.24	334.27	-1.20	-53.44
COC1=CC=CC(CC(O)C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020193452	0	41	-1.0	-43.71	336.93	2.56	-41.15
COC1=CC=CC(CC(O)C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020193452	1	41	-1.0	-43.71	337.00	2.57	-41.14
O=C(CC1=CC(C(F)(F)F)=CC(Cl)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193453	0	35	-1.0	-48.19	330.35	4.57	-43.62
O=C(CC1=CC(C(F)(F)F)=CC(Cl)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193453	1	35	-1.0	-48.25	330.42	4.58	-43.67
CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193454	0	44	-1.0	-55.96	351.17	4.11	-51.85
CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193454	1	44	-1.0	-55.96	351.24	4.11	-51.85
CC1C(C(=O)N2CCC(C3=N[N-]N=N3)C2)CCN1C(=O)OC(C)(C)C	REAL300020193455	0	50	-1.0	-49.08	383.93	4.61	-44.47
CC1C(C(=O)N2CCC(C3=NN=N[N-]3)C2)CCN1C(=O)OC(C)(C)C	REAL300020193455	1	50	-1.0	-49.13	384.00	4.62	-44.51
O=C(CC1=CC=C(Br)C(Cl)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193456	0	33	-1.0	-44.42	316.86	5.83	-38.59
O=C(CC1=CC=C(Br)C(Cl)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193456	1	33	-1.0	-44.43	316.93	5.85	-38.58
CC1=CN(C2=C(F)C=CC=C2F)N=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193457	0	40	-1.0	-47.41	340.78	6.18	-41.23
CC1=CN(C2=C(F)C=CC=C2F)N=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193457	1	40	-1.0	-47.39	340.71	6.17	-41.22
O=C(CCCC1=CC=C(O)C(F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193458	0	40	-1.0	-48.62	340.87	3.59	-45.03
O=C(CCCC1=CC=C(O)C(F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193458	1	40	-1.0	-48.65	340.94	3.59	-45.06
CC1=CC=C(Br)N=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193459	0	32	-1.0	-41.57	287.29	3.92	-37.65
CC1=CC=C(Br)N=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193459	1	32	-1.0	-41.56	287.21	3.90	-37.66
COC(=O)C1=CC(O)=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020193460	0	37	-1.0	-44.34	315.84	1.36	-42.98
COC(=O)C1=CC(O)=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020193460	1	37	-1.0	-44.31	315.91	1.37	-42.94
O=C(C1=NOC2=C1CCCCC2)N1CCC(C2=N[N-]N=N2)C1	REAL300020193461	0	39	-1.0	-41.75	306.57	4.64	-37.11
O=C(C1=NOC2=C1CCCCC2)N1CCC(C2=NN=N[N-]2)C1	REAL300020193461	1	39	-1.0	-41.74	306.64	4.65	-37.09
O=C(C1=CC(Cl)=NC=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020193462	0	29	-1.0	-39.60	280.53	2.86	-36.74
O=C(C1=CC(Cl)=NC=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020193462	1	29	-1.0	-39.57	280.45	2.84	-36.73
O=C(C1=NNN=C1C1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193463	0	36	-1.0	-41.51	304.17	2.77	-38.74
O=C(C1=NNN=C1C1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193463	1	36	-1.0	-41.52	304.24	2.78	-38.74
CN1N=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1N1C=NN=C1	REAL300020193464	0	36	-1.0	-48.62	302.16	4.79	-43.83
CN1N=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1N1C=NN=C1	REAL300020193464	1	36	-1.0	-48.62	302.08	4.78	-43.84
CC(C)(C)OC(=O)NCCC1=NC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CS1	REAL300020193465	0	49	-1.0	-48.17	409.88	2.68	-45.49
CC(C)(C)OC(=O)NCCC1=NC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CS1	REAL300020193465	1	49	-1.0	-48.19	409.96	2.69	-45.50
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(CC2=CC=CC=C2F)CC1	REAL300020193466	0	40	-1.0	-50.47	333.13	6.45	-44.02
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(CC2=CC=CC=C2F)CC1	REAL300020193466	1	40	-1.0	-50.51	333.21	6.48	-44.03
CC(C)(C)OC(=O)N1CCC2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2C1	REAL300020193467	0	54	-1.0	-46.81	415.82	6.74	-40.07
CC(C)(C)OC(=O)N1CCC2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2C1	REAL300020193467	1	54	-1.0	-46.84	415.89	6.74	-40.10
CC1=CC=C(C)C(N2C=NC3=CC(C(=O)N4CCC(C5=NN=N[N-]5)C4)=CC=C32)=C1	REAL300020193468	0	49	-1.0	-45.12	394.55	9.44	-35.68
CC1=CC=C(C)C(N2C=NC3=CC(C(=O)N4CCC(C5=N[N-]N=N5)C4)=CC=C32)=C1	REAL300020193468	1	49	-1.0	-45.05	394.47	9.43	-35.62
COC1=CC=C(F)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1OC	REAL300020193469	0	38	-1.0	-47.12	327.92	3.32	-43.80
COC1=CC=C(F)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1OC	REAL300020193469	1	38	-1.0	-47.14	327.99	3.32	-43.82
CC1=CC=CC=C1C1(C(=O)N2CCC(C3=N[N-]N=N3)C2)CCC1	REAL300020193470	0	43	-1.0	-42.81	327.55	6.29	-36.52
CC1=CC=CC=C1C1(C(=O)N2CCC(C3=NN=N[N-]3)C2)CCC1	REAL300020193470	1	43	-1.0	-42.82	327.62	6.29	-36.53
COC1=CC=C(OC)C(C2CC2C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020193471	0	45	-1.0	-46.73	365.83	4.70	-42.03
COC1=CC=C(OC)C(C2CC2C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020193471	1	45	-1.0	-46.73	365.90	4.72	-42.01
COC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CN=C1Br	REAL300020193472	0	33	-1.0	-41.77	295.30	1.67	-40.10
COC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CN=C1Br	REAL300020193472	1	33	-1.0	-41.72	295.22	1.65	-40.07
COCCOC1=CC(OC)=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193473	0	45	-1.0	-49.24	367.51	3.36	-45.88
COCCOC1=CC(OC)=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193473	1	45	-1.0	-49.26	367.58	3.37	-45.89
COC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(OCC2CC2)=C1	REAL300020193474	0	45	-1.0	-47.60	365.77	5.52	-42.08
COC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(OCC2CC2)=C1	REAL300020193474	1	45	-1.0	-47.61	365.84	5.53	-42.08
CC1=NC2=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=CC=C2N1CC1=CSC=C1	REAL300020193475	0	46	-1.0	-48.24	389.45	7.53	-40.71
CC1=NC2=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=CC=C2N1CC1=CSC=C1	REAL300020193475	1	46	-1.0	-48.24	389.52	7.53	-40.71
CC(C)(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=CC(Cl)=C1F	REAL300020193476	0	39	-1.0	-48.77	321.67	5.52	-43.25
CC(C)(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=CC(Cl)=C1F	REAL300020193476	1	39	-1.0	-48.79	321.74	5.53	-43.26
O=C(C1=C(C2=CC=CC=C2)SC=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193477	0	36	-1.0	-44.44	316.85	5.28	-39.16
O=C(C1=C(C2=CC=CC=C2)SC=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193477	1	36	-1.0	-44.38	316.77	5.27	-39.11
CC(C)(CC(=O)N1CCC(C2=N[N-]N=N2)C1)CC1=CC=C(Cl)C=C1	REAL300020193478	0	45	-1.0	-43.80	363.21	7.59	-36.21
CC(C)(CC(=O)N1CCC(C2=NN=N[N-]2)C1)CC1=CC=C(Cl)C=C1	REAL300020193478	1	45	-1.0	-43.81	363.28	7.60	-36.21
O=C(C1=CC=C(Cl)C=C1C(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020193479	0	33	-1.0	-42.93	304.85	5.20	-37.73
O=C(C1=CC=C(Cl)C=C1C(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020193479	1	33	-1.0	-42.94	304.92	5.20	-37.74
COC(=O)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(F)=C1	REAL300020193480	0	36	-1.0	-44.53	314.56	4.46	-40.07
COC(=O)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(F)=C1	REAL300020193480	1	36	-1.0	-44.56	314.63	4.46	-40.10
CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020193481	0	48	-1.0	-45.12	373.17	3.61	-41.51
CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020193481	1	48	-1.0	-45.12	373.24	3.62	-41.50
COC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=NN1C1=CC=CC=C1	REAL300020193482	0	41	-1.0	-46.54	344.75	4.21	-42.33
COC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=NN1C1=CC=CC=C1	REAL300020193482	1	41	-1.0	-46.48	344.67	4.19	-42.29
CC1=CC2=C(C=C1C)C(C(=O)N1CCC(C3=N[N-]N=N3)C1)CO2	REAL300020193483	0	41	-1.0	-47.00	327.82	4.79	-42.21
CC1=CC2=C(C=C1C)C(C(=O)N1CCC(C3=NN=N[N-]3)C1)CO2	REAL300020193483	1	41	-1.0	-46.98	327.90	4.80	-42.18
O=C(C1=CC=C(OC(F)F)C=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193484	0	33	-1.0	-43.88	288.96	2.28	-41.60
O=C(C1=CC=C(OC(F)F)C=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193484	1	33	-1.0	-43.87	288.89	2.28	-41.59
CC1=C(Br)SC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193485	0	30	-1.0	-41.66	277.91	3.93	-37.73
CC1=C(Br)SC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193485	1	30	-1.0	-41.64	277.99	3.94	-37.70
CCOC(=O)CON=C(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=NN1	REAL300020193486	0	43	-1.0	-41.90	367.08	3.18	-38.72
CCOC(=O)CON=C(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=NN1	REAL300020193486	1	43	-1.0	-41.92	367.15	3.20	-38.72
O=C(C1=CC(O)=CC=C1C(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020193487	0	34	-1.0	-45.81	298.53	1.78	-44.03
O=C(C1=CC(O)=CC=C1C(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020193487	1	34	-1.0	-45.88	298.60	1.80	-44.08
CN1C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC2=C1N=C1C=CC=CN1C2=O	REAL300020193488	0	42	-1.0	-50.36	346.77	6.04	-44.32
CN1C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC2=C1N=C1C=CC=CN1C2=O	REAL300020193488	1	42	-1.0	-50.36	346.69	6.03	-44.33
CC1CN(C2=CC=NC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C2)CC(C)O1	REAL300020193489	0	48	-1.0	-43.87	376.36	3.06	-40.81
CC1CN(C2=CC=NC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C2)CC(C)O1	REAL300020193489	1	48	-1.0	-43.89	376.43	3.07	-40.82
COC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)NC(=O)NC1=O	REAL300020193490	0	34	-1.0	-41.21	289.30	-0.38	-41.59
COC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)NC(=O)NC1=O	REAL300020193490	1	34	-1.0	-41.23	289.38	-0.36	-41.59
COC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)NC(=O)[N-]C1=O	REAL300020193490	1	33	-2.0	-83.41	286.45	-2.18	-85.59
CC1=CC=C(N2C=NN=C2)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020193491	0	39	-1.0	-52.25	328.28	7.51	-44.74
CC1=CC=C(N2C=NN=C2)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020193491	1	39	-1.0	-52.25	328.21	7.51	-44.74
O=C(CC1=C2CCCCC2=NN1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193492	0	40	-1.0	-47.88	323.35	3.46	-44.42
O=C(CC1=C2CCCCC2=NN1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193492	1	40	-1.0	-47.86	323.42	3.47	-44.39
O=C(C1=CN=C(Cl)C(C2CC2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193493	0	36	-1.0	-41.00	308.67	4.25	-36.75
O=C(C1=CN=C(Cl)C(C2CC2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193493	1	36	-1.0	-40.98	308.60	4.25	-36.73
CC(=O)C1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C(C)N=C1C	REAL300020193494	0	40	-1.0	-41.62	324.12	3.57	-38.05
CC(=O)C1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C(C)N=C1C	REAL300020193494	1	40	-1.0	-41.64	324.19	3.57	-38.07
O=C(C1=NN(CC2=CC=CC=C2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193495	0	40	-1.0	-46.60	340.05	5.87	-40.73
O=C(C1=NN(CC2=CC=CC=C2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193495	1	40	-1.0	-46.55	339.97	5.87	-40.68
CC(C)(C)OC(=O)NCC1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020193496	0	50	-1.0	-47.86	397.95	4.01	-43.85
CC(C)(C)OC(=O)NCC1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020193496	1	50	-1.0	-47.90	398.02	4.02	-43.88
CC(C)(C)OC(=O)N1CCC2=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=CC=C21	REAL300020193497	0	51	-1.0	-46.54	396.13	6.51	-40.03
CC(C)(C)OC(=O)N1CCC2=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=CC=C21	REAL300020193497	1	51	-1.0	-46.57	396.20	6.51	-40.06
C=CCSC1=CC=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193498	0	38	-1.0	-46.26	325.97	6.10	-40.16
C=CCSC1=CC=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193498	1	38	-1.0	-46.28	326.04	6.11	-40.17
O=C(C(O)C(O)C1=NC2=CC=CC=C2N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193499	0	41	-1.0	-46.61	342.01	-1.22	-47.83
O=C(C(O)C(O)C1=NC2=CC=CC=C2N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193499	1	41	-1.0	-46.58	342.08	-1.21	-47.79
CC1=CC=C(CC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1Br	REAL300020193500	0	36	-1.0	-44.75	320.22	5.95	-38.80
CC1=CC=C(CC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1Br	REAL300020193500	1	36	-1.0	-44.77	320.30	5.96	-38.81
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(CC2=CC=C(F)C=C2)CC1	REAL300020193501	0	40	-1.0	-47.09	335.62	6.62	-40.47
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(CC2=CC=C(F)C=C2)CC1	REAL300020193501	1	40	-1.0	-47.03	335.70	6.63	-40.40
O=C(CCCCN1CCOCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193502	0	45	-1.0	-44.40	352.04	1.84	-42.56
O=C(CCCCN1CCOCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193502	1	45	-1.0	-44.42	352.12	1.84	-42.58
O=C(CCCC[NH+]1CCOCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193502	1	46	0.0	-69.51	354.56	4.10	-65.41
O=C(CCCC[NH+]1CCOCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193502	1	46	0.0	-69.56	354.63	4.11	-65.45
CS(=O)C1=CC=CC=C1CC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193503	0	38	-1.0	-55.07	328.43	3.23	-51.84
CS(=O)C1=CC=CC=C1CC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193503	1	38	-1.0	-55.09	328.51	3.24	-51.85
CSC1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1[N+](=O)[O-]	REAL300020193504	0	36	-1.0	-56.20	322.09	5.87	-50.33
CSC1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1[N+](=O)[O-]	REAL300020193504	1	36	-1.0	-56.20	322.16	5.89	-50.31
CC(=O)CCC1=CC=C(OCC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020193505	0	45	-1.0	-50.31	377.23	6.81	-43.50
CC(=O)CCC1=CC=C(OCC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020193505	1	45	-1.0	-50.28	377.31	6.83	-43.45
COC1=CC=C(OC)C(NC(=O)C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020193506	0	42	-1.0	-42.33	347.69	0.99	-41.34
COC1=CC=C(OC)C(NC(=O)C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020193506	1	42	-1.0	-42.35	347.76	1.01	-41.34
O=C(C1=CC=C(C(F)(F)F)C(F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193507	0	33	-1.0	-42.72	294.30	4.62	-38.10
O=C(C1=CC=C(C(F)(F)F)C(F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193507	1	33	-1.0	-42.69	294.37	4.63	-38.06
CC(C)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1[N+](=O)[O-]	REAL300020193508	0	41	-1.0	-46.92	332.43	5.66	-41.26
CC(C)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1[N+](=O)[O-]	REAL300020193508	1	41	-1.0	-46.97	332.50	5.67	-41.30
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(CC2=CC=CC=C2Cl)CC1	REAL300020193509	0	40	-1.0	-47.24	332.18	7.50	-39.74
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(CC2=CC=CC=C2Cl)CC1	REAL300020193509	1	40	-1.0	-47.26	332.26	7.53	-39.73
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(CC2=CC=C(OC(F)(F)F)C=C2)CC1	REAL300020193510	0	44	-1.0	-47.94	374.67	6.31	-41.63
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(CC2=CC=C(OC(F)(F)F)C=C2)CC1	REAL300020193510	1	44	-1.0	-47.95	374.75	6.33	-41.62
O=C(CC1=CC=C(Br)C=C1O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193511	0	34	-1.0	-47.12	311.85	2.59	-44.53
O=C(CC1=CC=C(Br)C=C1O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193511	1	34	-1.0	-47.12	311.93	2.61	-44.51
CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020193512	0	48	-1.0	-43.99	372.84	3.54	-40.45
CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020193512	1	48	-1.0	-43.97	372.92	3.56	-40.41
CC(O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193513	0	49	-1.0	-43.73	385.65	-0.25	-43.98
CC(O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193513	1	49	-1.0	-43.77	385.72	-0.24	-44.01
O=C(C1COCCN1C1CCCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193514	0	46	-1.0	-42.75	341.06	1.77	-40.98
O=C(C1COCCN1C1CCCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193514	1	46	-1.0	-42.71	341.14	1.77	-40.94
O=C(C1=CSC(C(F)(F)F)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193515	0	29	-1.0	-41.05	281.01	2.55	-38.50
O=C(C1=CSC(C(F)(F)F)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193515	1	29	-1.0	-41.07	280.94	2.53	-38.54
CC1=NC(C#N)=C(N2CCC(C(=O)N3CCC(C4=N[N-]N=N4)C3)CC2)O1	REAL300020193516	0	45	-1.0	-49.84	370.49	0.47	-49.37
CC1=NC(C#N)=C(N2CCC(C(=O)N3CCC(C4=NN=N[N-]4)C3)CC2)O1	REAL300020193516	1	45	-1.0	-49.92	370.57	0.48	-49.44
CN(C)C1=CC=CC(CCC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020193517	0	44	-1.0	-43.42	353.26	5.97	-37.45
CN(C)C1=CC=CC(CCC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020193517	1	44	-1.0	-43.39	353.33	5.97	-37.42
COC1=NC(C)=C(Br)C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193518	0	36	-1.0	-43.21	319.93	2.29	-40.92
COC1=NC(C)=C(Br)C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193518	1	36	-1.0	-43.27	320.00	2.29	-40.98
CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193519	0	46	-1.0	-40.98	357.04	2.03	-38.95
CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193519	1	46	-1.0	-41.02	357.12	2.04	-38.98
COCCOC1=CC=CC(C=CC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020193520	0	45	-1.0	-47.79	374.85	4.74	-43.05
COCCOC1=CC=CC(C=CC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020193520	1	45	-1.0	-47.79	374.92	4.74	-43.05
CC(OC1=CC=C(C(F)(F)F)C=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193521	0	40	-1.0	-37.09	341.83	6.06	-31.03
CC(OC1=CC=C(C(F)(F)F)C=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193521	1	40	-1.0	-37.10	341.91	6.08	-31.02
CC(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CN(C)C2=CC=CC=C12	REAL300020193522	0	43	-1.0	-39.49	351.54	6.94	-32.55
CC(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CN(C)C2=CC=CC=C12	REAL300020193522	1	43	-1.0	-39.51	351.61	6.96	-32.55
COC1=CC(C)=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1Cl	REAL300020193523	0	37	-1.0	-41.93	317.69	4.17	-37.76
COC1=CC(C)=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020193523	1	37	-1.0	-41.88	317.76	4.17	-37.71
CC(C)(C(=O)N1CCC(C2=N[N-]N=N2)C1)N1C(=O)C2=CC=CC=C2C1=O	REAL300020193524	0	43	-1.0	-47.23	344.39	5.49	-41.74
CC(C)(C(=O)N1CCC(C2=NN=N[N-]2)C1)N1C(=O)C2=CC=CC=C2C1=O	REAL300020193524	1	43	-1.0	-47.26	344.46	5.50	-41.76
CCCCN1C=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(C)=N1	REAL300020193525	0	42	-1.0	-45.98	337.64	4.40	-41.58
CCCCN1C=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(C)=N1	REAL300020193525	1	42	-1.0	-46.02	337.72	4.41	-41.61
CC1=COC(C2=CC=CC=C2)=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193526	0	40	-1.0	-45.48	338.09	6.34	-39.14
CC1=COC(C2=CC=CC=C2)=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193526	1	40	-1.0	-45.49	338.17	6.34	-39.15
CCOC1=C2C(CC(=O)N3CCC(C4=N[N-]N=N4)C3)=CNC2=CC=C1	REAL300020193527	0	44	-1.0	-49.22	362.63	5.08	-44.14
CCOC1=C2C(CC(=O)N3CCC(C4=NN=N[N-]4)C3)=CNC2=CC=C1	REAL300020193527	1	44	-1.0	-49.22	362.70	5.09	-44.13
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)OC(CC2CC2)=N1	REAL300020193528	0	39	-1.0	-40.20	325.22	2.42	-37.78
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)OC(CC2CC2)=N1	REAL300020193528	1	39	-1.0	-40.26	325.30	2.44	-37.82
CC1=NOC(COC2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=N2)=N1	REAL300020195333	0	41	-1.0	-45.26	350.51	-0.10	-45.36
CC1=NOC(COC2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=N2)=N1	REAL300020195333	1	41	-1.0	-45.28	350.44	-0.12	-45.40
O=C(CC1=CC=CC2=CN=CC=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020195334	0	38	-1.0	-47.43	318.61	5.14	-42.29
O=C(CC1=CC=CC2=CN=CC=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020195334	1	38	-1.0	-47.44	318.54	5.13	-42.31
CC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C(C)N1C1CCCOC1	REAL300020195335	0	48	-1.0	-45.58	359.55	4.91	-40.67
CC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C(C)N1C1CCCOC1	REAL300020195335	1	48	-1.0	-45.60	359.63	4.92	-40.68
CC1=C2C=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)NC2=C(F)C=C1	REAL300020195336	0	37	-1.0	-41.64	311.56	4.79	-36.85
CC1=C2C=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)NC2=C(F)C=C1	REAL300020195336	1	37	-1.0	-41.66	311.63	4.81	-36.85
O=C(NCC1(C(=O)N2CCC(C3=N[N-]N=N3)C2)CCCC1)OCC1=CC=CC=C1	REAL300020195337	0	54	-1.0	-45.66	423.67	5.68	-39.98
O=C(NCC1(C(=O)N2CCC(C3=NN=N[N-]3)C2)CCCC1)OCC1=CC=CC=C1	REAL300020195337	1	54	-1.0	-45.65	423.75	5.68	-39.97
CC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C(C)N1CC1CCCOC1	REAL300020195338	0	51	-1.0	-48.19	383.08	5.76	-42.43
CC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C(C)N1CC1CCCOC1	REAL300020195338	1	51	-1.0	-48.23	383.16	5.76	-42.47
CC1=NOC(C2(C(=O)N3CCC(C4=N[N-]N=N4)C3)CCOCC2)=C1	REAL300020195339	0	43	-1.0	-40.31	332.46	2.82	-37.49
CC1=NOC(C2(C(=O)N3CCC(C4=NN=N[N-]4)C3)CCOCC2)=C1	REAL300020195339	1	43	-1.0	-40.35	332.53	2.82	-37.53
CCN1C(=O)CO[C@H](C(=O)N2CCC(C3=N[N-]N=N3)C2)[C@H]1C1=NC=CN1C	REAL300020195340	0	48	-1.0	-45.30	378.68	2.76	-42.54
CCN1C(=O)CO[C@H](C(=O)N2CCC(C3=NN=N[N-]3)C2)[C@H]1C1=NC=CN1C	REAL300020195340	1	48	-1.0	-45.29	378.76	2.77	-42.52
CC1=CC(C)=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(C)=C1Br	REAL300020195341	0	39	-1.0	-42.03	335.05	6.06	-35.97
CC1=CC(C)=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(C)=C1Br	REAL300020195341	1	39	-1.0	-42.04	335.13	6.07	-35.97
O=C(C1=CC=CC=C1COCC1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195342	0	47	-1.0	-43.22	385.62	7.61	-35.61
O=C(C1=CC=CC=C1COCC1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195342	1	47	-1.0	-43.23	385.69	7.62	-35.61
O=C(C1=CC=CC(F)=C1OC(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020195343	0	34	-1.0	-49.53	308.60	4.21	-45.32
O=C(C1=CC=CC(F)=C1OC(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020195343	1	34	-1.0	-49.53	308.68	4.21	-45.32
O=C(C1=C(C2CC2)NC(C2CC2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195344	0	42	-1.0	-45.19	337.51	5.84	-39.35
O=C(C1=C(C2CC2)NC(C2CC2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195344	1	42	-1.0	-45.23	337.58	5.85	-39.38
CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195345	0	48	-1.0	-45.96	376.72	2.33	-43.63
CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195345	1	48	-1.0	-45.95	376.80	2.34	-43.61
O=C(C=CC1=CC(C(F)(F)F)=CC=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020195346	0	37	-1.0	-43.81	342.84	6.67	-37.14
O=C(C=CC1=CC(C(F)(F)F)=CC=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020195346	1	37	-1.0	-43.81	342.91	6.68	-37.13
CC(C)(C)OC(=O)NC1CC2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2C1	REAL300020195347	0	54	-1.0	-46.64	420.87	5.31	-41.33
CC(C)(C)OC(=O)NC1CC2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2C1	REAL300020195347	1	54	-1.0	-46.62	420.94	5.31	-41.31
O=C(C1C[N@H+](CC2=CC=CC=C2)CC12CCC2)N1CCC(C2=N[N-]N=N2)C1	REAL300020195348	0	53	0.0	-67.77	400.30	8.34	-59.43
O=C(C1C[N@@H+](CC2=CC=CC=C2)CC12CCC2)N1CCC(C2=N[N-]N=N2)C1	REAL300020195348	1	53	0.0	-66.76	400.34	8.34	-58.42
O=C(C1C[N@H+](CC2=CC=CC=C2)CC12CCC2)N1CCC(C2=NN=N[N-]2)C1	REAL300020195348	1	53	0.0	-67.79	400.37	8.34	-59.45
O=C(C1C[N@@H+](CC2=CC=CC=C2)CC12CCC2)N1CCC(C2=NN=N[N-]2)C1	REAL300020195348	1	53	0.0	-66.75	400.42	8.36	-58.39
CC(C)(C)OC1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020195349	0	42	-1.0	-47.25	331.88	3.78	-43.47
CC(C)(C)OC1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020195349	1	42	-1.0	-47.18	331.80	3.76	-43.42
CC(C)(C)OC(=O)C1(C(=O)N2CCC(C3=N[N-]N=N3)C2)CCSCC1	REAL300020195350	0	49	-1.0	-39.92	371.50	6.12	-33.80
CC(C)(C)OC(=O)C1(C(=O)N2CCC(C3=NN=N[N-]3)C2)CCSCC1	REAL300020195350	1	49	-1.0	-39.93	371.57	6.13	-33.80
COC1=CC=CC(C2=NOC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C2)=C1	REAL300020195351	0	40	-1.0	-41.98	341.48	4.23	-37.75
COC1=CC=CC(C2=NOC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C2)=C1	REAL300020195351	1	40	-1.0	-41.93	341.41	4.23	-37.70
O=C(CC1=CC2=CC=NC=C2C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195352	0	38	-1.0	-46.97	321.74	5.24	-41.73
O=C(CC1=CC2=CC=NC=C2C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195352	1	38	-1.0	-46.96	321.81	5.26	-41.70
N#CC1=CC=C(C2(C(=O)N3CCC(C4=N[N-]N=N4)C3)CCCC2)C=C1	REAL300020195353	0	44	-1.0	-45.25	345.47	6.68	-38.57
N#CC1=CC=C(C2(C(=O)N3CCC(C4=NN=N[N-]4)C3)CCCC2)C=C1	REAL300020195353	1	44	-1.0	-45.32	345.54	6.68	-38.64
N#CC1=CC=C(COCC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020195354	0	38	-1.0	-49.66	336.07	5.58	-44.08
N#CC1=CC=C(COCC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020195354	1	38	-1.0	-49.67	336.14	5.59	-44.08
COC1=CC(COCC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=N1	REAL300020195355	0	40	-1.0	-50.64	342.31	1.90	-48.74
COC1=CC(COCC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=N1	REAL300020195355	1	40	-1.0	-50.63	342.38	1.91	-48.72
COC1=CC=C(COCC(=O)N2CCC(C3=NN=N[N-]3)C2)C=N1	REAL300020195356	0	40	-1.0	-50.32	342.32	1.88	-48.44
COC1=CC=C(COCC(=O)N2CCC(C3=N[N-]N=N3)C2)C=N1	REAL300020195356	1	40	-1.0	-50.35	342.25	1.87	-48.48
O=C(COCC1=CC(=O)NC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195357	0	37	-1.0	-64.21	317.77	2.20	-62.01
O=C(COCC1=CC(=O)NC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195357	1	37	-1.0	-64.23	317.84	2.21	-62.02
O=C([C@@H]1CC=CC[C@H]1C(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020195358	0	37	-1.0	-42.35	305.13	4.71	-37.64
O=C([C@@H]1CC=CC[C@H]1C(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020195358	1	37	-1.0	-42.36	305.21	4.71	-37.65
O=C(C1=NC2=C(Br)C=NC=C2C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195359	0	34	-1.0	-44.19	311.48	3.81	-40.38
O=C(C1=NC2=C(Br)C=NC=C2C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195359	1	34	-1.0	-44.23	311.41	3.79	-40.44
CC(C)(C(=O)N1CCC(C2=N[N-]N=N2)C1)C(O)C1=CC(Cl)=CC(Cl)=C1	REAL300020195360	0	43	-1.0	-43.72	357.49	4.82	-38.90
CC(C)(C(=O)N1CCC(C2=NN=N[N-]2)C1)C(O)C1=CC(Cl)=CC(Cl)=C1	REAL300020195360	1	43	-1.0	-43.75	357.56	4.84	-38.91
O=C(CC1=CC(Cl)=CC(Cl)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195361	0	33	-1.0	-43.68	314.20	5.77	-37.91
O=C(CC1=CC(Cl)=CC(Cl)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195361	1	33	-1.0	-43.65	314.28	5.79	-37.86
O=C(C1=NN(C2=CC=C([N+](=O)[O-])C=C2F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195362	0	39	-1.0	-43.23	346.09	6.02	-37.21
O=C(C1=NN(C2=CC=C([N+](=O)[O-])C=C2F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195362	1	39	-1.0	-43.21	346.02	6.01	-37.20
CSC1=CC=C(C=CC(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020195363	0	35	-1.0	-43.13	322.59	5.50	-37.63
CSC1=CC=C(C=CC(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020195363	1	35	-1.0	-43.09	322.66	5.51	-37.58
O=C(C1=CC=C(NCCN2CCOCC2)C(F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195364	0	51	-1.0	-43.55	400.12	1.74	-41.81
O=C(C1=CC=C(NCCN2CCOCC2)C(F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195364	1	51	-1.0	-43.60	400.20	1.75	-41.85
CC1CC(=O)NC2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2N1	REAL300020195365	0	43	-1.0	-44.47	343.31	1.60	-42.87
CC1CC(=O)NC2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2N1	REAL300020195365	1	43	-1.0	-44.52	343.38	1.61	-42.91
O=C(C1CCCN1CC1=CC=C(Cl)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195366	0	45	-1.0	-41.25	366.36	4.64	-36.61
O=C(C1CCCN1CC1=CC=C(Cl)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195366	1	45	-1.0	-41.26	366.43	4.66	-36.60
CC(C)(C)OC(=O)NC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=N1	REAL300020195367	0	46	-1.0	-50.81	368.11	3.51	-47.30
CC(C)(C)OC(=O)NC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=N1	REAL300020195367	1	46	-1.0	-50.77	368.19	3.53	-47.24
O=C(C1=NOC(C2=CC=C(Cl)C=C2Cl)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195368	0	36	-1.0	-40.06	345.10	6.25	-33.81
O=C(C1=NOC(C2=CC=C(Cl)C=C2Cl)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195368	1	36	-1.0	-40.13	345.02	6.25	-33.88
O=C(C1=C(Br)C2=CC=CC=C2O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195369	0	33	-1.0	-41.72	302.72	5.08	-36.64
O=C(C1=C(Br)C2=CC=CC=C2O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195369	1	33	-1.0	-41.72	302.80	5.09	-36.63
O=C(C1=CN=CC(N2CCCC2)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195370	0	40	-1.0	-40.36	320.60	2.29	-38.07
O=C(C1=CN=CC(N2CCCC2)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195370	1	40	-1.0	-40.37	320.52	2.27	-38.10
CN1C=C(I)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020195371	0	30	-1.0	-44.87	283.93	3.11	-41.76
CN1C=C(I)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020195371	1	30	-1.0	-44.87	283.86	3.09	-41.78
CC1=NC2=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=NN2C(C(F)(F)F)=C1	REAL300020195372	0	38	-1.0	-46.11	340.06	4.48	-41.63
CC1=NC2=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=NN2C(C(F)(F)F)=C1	REAL300020195372	1	38	-1.0	-46.08	340.13	4.49	-41.59
O=C(COC1=CC=C(Br)C=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195373	0	33	-1.0	-43.72	308.55	2.72	-41.00
O=C(COC1=CC=C(Br)C=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195373	1	33	-1.0	-43.72	308.48	2.71	-41.01
O=C(C1=CC2=NC=CC=C2S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195374	0	32	-1.0	-45.17	284.19	3.27	-41.90
O=C(C1=CC2=NC=CC=C2S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195374	1	32	-1.0	-45.09	284.12	3.26	-41.83
O=C(C1CCCN2C=C(C(F)(F)F)N=C12)N1CCC(C2=N[N-]N=N2)C1	REAL300020195375	0	40	-1.0	-55.83	341.22	4.88	-50.95
O=C(C1CCCN2C=C(C(F)(F)F)N=C12)N1CCC(C2=NN=N[N-]2)C1	REAL300020195375	1	40	-1.0	-55.85	341.30	4.88	-50.97
O=C(CC1=CC(Cl)=CC2=CC=CC=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020195376	0	39	-1.0	-45.50	340.07	7.41	-38.09
O=C(CC1=CC(Cl)=CC2=CC=CC=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020195376	1	39	-1.0	-45.55	340.15	7.41	-38.14
COC1=CC=C(C2=C(CC(=O)N3CCC(C4=NN=N[N-]4)C3)SC(C)=N2)C=C1	REAL300020195377	0	46	-1.0	-46.06	388.16	5.19	-40.87
COC1=CC=C(C2=C(CC(=O)N3CCC(C4=N[N-]N=N4)C3)SC(C)=N2)C=C1	REAL300020195377	1	46	-1.0	-46.00	388.09	5.18	-40.82
CC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1N1CCOCC1	REAL300020195378	0	46	-1.0	-42.80	357.75	3.78	-39.02
CC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1N1CCOCC1	REAL300020195378	1	46	-1.0	-42.82	357.83	3.79	-39.03
O=C(C1=CC(Cl)=CC(Cl)=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020195379	0	30	-1.0	-41.56	292.72	4.79	-36.77
O=C(C1=CC(Cl)=CC(Cl)=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020195379	1	30	-1.0	-41.57	292.80	4.80	-36.77
O=C(C1=CC=NN1CC1CCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195380	0	40	-1.0	-41.12	316.02	4.37	-36.75
O=C(C1=CC=NN1CC1CCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195380	1	40	-1.0	-41.11	315.93	4.37	-36.74
COC1=CC=C2C=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)SC2=C1	REAL300020195381	0	37	-1.0	-42.92	318.67	4.46	-38.46
COC1=CC=C2C=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)SC2=C1	REAL300020195381	1	37	-1.0	-42.89	318.75	4.47	-38.42
COC1=CC=C2C(CC(=O)N3CCC(C4=N[N-]N=N4)C3)=COC2=C1C	REAL300020195382	0	43	-1.0	-48.66	358.03	5.18	-43.48
COC1=CC=C2C(CC(=O)N3CCC(C4=NN=N[N-]4)C3)=COC2=C1C	REAL300020195382	1	43	-1.0	-48.68	358.10	5.18	-43.50
CC1=CC(OC2=CC=CC=C2)=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195383	0	44	-1.0	-42.57	361.39	7.18	-35.39
CC1=CC(OC2=CC=CC=C2)=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195383	1	44	-1.0	-42.60	361.46	7.18	-35.42
CC1(C(=O)N2CCC(C3=N[N-]N=N3)C2)OC2=CC=CC=C2NC1=O	REAL300020195384	0	39	-1.0	-48.96	320.26	3.49	-45.47
CC1(C(=O)N2CCC(C3=NN=N[N-]3)C2)OC2=CC=CC=C2NC1=O	REAL300020195384	1	39	-1.0	-48.96	320.33	3.50	-45.46
O=C(CC1=CSC(COC2=CC=CC=C2)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195385	0	43	-1.0	-53.46	376.05	5.22	-48.24
O=C(CC1=CSC(COC2=CC=CC=C2)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195385	1	43	-1.0	-53.46	376.13	5.24	-48.22
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=NC2=C(Cl)C=CC=C12	REAL300020195386	0	38	-1.0	-43.71	326.14	5.16	-38.55
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=NC2=C(Cl)C=CC=C12	REAL300020195386	1	38	-1.0	-43.69	326.22	5.16	-38.53
CC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1C1=CN(C)N=C1	REAL300020195387	0	43	-1.0	-47.32	350.75	5.41	-41.91
CC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1C1=CN(C)N=C1	REAL300020195387	1	43	-1.0	-47.31	350.67	5.40	-41.91
CC(C)(C)C1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC(Cl)=N1	REAL300020195388	0	41	-1.0	-39.70	341.28	4.88	-34.82
CC(C)(C)C1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC(Cl)=N1	REAL300020195388	1	41	-1.0	-39.70	341.21	4.86	-34.84
O=C(C=CC1=CC=C(F)C2=CC=CC=C12)N1CCC(C2=N[N-]N=N2)C1	REAL300020195389	0	40	-1.0	-44.83	338.69	7.42	-37.41
O=C(C=CC1=CC=C(F)C2=CC=CC=C12)N1CCC(C2=NN=N[N-]2)C1	REAL300020195389	1	40	-1.0	-44.84	338.76	7.43	-37.41
O=C(C1=CC(Br)=CN=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020195390	0	29	-1.0	-42.60	276.12	2.49	-40.11
O=C(C1=CC(Br)=CN=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020195390	1	29	-1.0	-42.58	276.05	2.49	-40.09
CC(C)(C)OC(=O)N1CCC(C(F)C(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020195391	0	50	-1.0	-43.66	392.01	4.78	-38.88
CC(C)(C)OC(=O)N1CCC(C(F)C(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020195391	1	50	-1.0	-43.70	392.09	4.79	-38.91
CC1CN(C2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2)CC(C)O1	REAL300020195392	0	49	-1.0	-44.12	376.07	3.86	-40.26
CC1CN(C2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2)CC(C)O1	REAL300020195392	1	49	-1.0	-44.14	376.14	3.87	-40.27
O=C(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC(Cl)=CC(Cl)=C1	REAL300020195393	0	32	-1.0	-36.03	307.06	4.88	-31.15
O=C(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC(Cl)=CC(Cl)=C1	REAL300020195393	1	32	-1.0	-36.04	307.13	4.89	-31.15
CCOC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195394	0	47	-1.0	-51.28	380.57	4.92	-46.36
CCOC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195394	1	47	-1.0	-51.27	380.64	4.93	-46.34
CC1(C)CCC(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(C2=CC=CC=C2)C1	REAL300020195395	0	52	-1.0	-42.84	377.99	8.23	-34.61
CC1(C)CCC(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(C2=CC=CC=C2)C1	REAL300020195395	1	52	-1.0	-42.86	378.07	8.24	-34.62
O=C(C1=CC(C2=CNC3=NC=CC3=C2)=CC=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195396	0	42	-1.0	-50.54	357.49	5.78	-44.76
O=C(C1=CC(C2=CNC3=NC=CC3=C2)=CC=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195396	1	42	-1.0	-50.53	357.56	5.79	-44.74
O=C(C1=CC(C2=CN=C3NC=CC3=C2)=CC=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195396	1	42	-1.0	-49.84	350.68	5.46	-44.38
O=C(C1=CC(C2=CN=C3NC=CC3=C2)=CC=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195396	1	42	-1.0	-49.83	350.75	5.48	-44.35
CC1=NC2=C(Cl)C=CC=C2C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195397	0	38	-1.0	-43.76	329.35	5.28	-38.48
CC1=NC2=C(Cl)C=CC=C2C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195397	1	38	-1.0	-43.77	329.42	5.29	-38.48
CN1C(=O)COC2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=C21	REAL300020195398	0	39	-1.0	-44.56	317.17	2.53	-42.03
CN1C(=O)COC2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=C21	REAL300020195398	1	39	-1.0	-44.60	317.24	2.54	-42.06
O=C(C1=CC=CC(C(F)F)=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020195399	0	33	-1.0	-48.42	290.03	4.61	-43.81
O=C(C1=CC=CC(C(F)F)=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020195399	1	33	-1.0	-48.41	290.11	4.62	-43.79
CC1(Br)CC1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195400	0	30	-1.0	-40.19	268.47	3.82	-36.37
CC1(Br)CC1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195400	1	30	-1.0	-40.21	268.54	3.83	-36.38
O=C(C1=CN(CC2CCOC2)N=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195401	0	40	-1.0	-45.73	331.92	1.49	-44.24
O=C(C1=CN(CC2CCOC2)N=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195401	1	40	-1.0	-45.73	331.84	1.49	-44.24
O=C(C1CC(C2=CC=CC(Cl)=C2F)=NO1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195402	0	38	-1.0	-58.77	341.20	5.92	-52.85
O=C(C1CC(C2=CC=CC(Cl)=C2F)=NO1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195402	1	38	-1.0	-58.82	341.28	5.92	-52.90
O=C(C1=CC(F)=C(Br)C=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020195403	0	30	-1.0	-40.53	286.79	4.45	-36.08
O=C(C1=CC(F)=C(Br)C=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020195403	1	30	-1.0	-40.54	286.86	4.45	-36.09
O=C(CCC1=NN=C(C(F)F)O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195404	0	34	-1.0	-44.92	307.37	-1.24	-46.16
O=C(CCC1=NN=C(C(F)F)O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195404	1	34	-1.0	-44.94	307.44	-1.23	-46.17
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(C2=CC=CC=C2)CC2(CCC2)C1	REAL300020195405	0	47	-1.0	-44.27	361.15	7.73	-36.54
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(C2=CC=CC=C2)CC2(CCC2)C1	REAL300020195405	1	47	-1.0	-44.23	361.23	7.74	-36.49
CC1=CN(C(C)(C)C(=O)N2CCC(C3=NN=N[N-]3)C2)N=C1C(F)(F)F	REAL300020195406	0	42	-1.0	-54.26	343.37	4.29	-49.97
CC1=CN(C(C)(C)C(=O)N2CCC(C3=N[N-]N=N3)C2)N=C1C(F)(F)F	REAL300020195406	1	42	-1.0	-54.22	343.30	4.28	-49.94
O=C(C1CCC1C1=CC=C(F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195407	0	40	-1.0	-46.46	321.45	6.31	-40.15
O=C(C1CCC1C1=CC=C(F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195407	1	40	-1.0	-46.40	321.52	6.32	-40.08
CC1=CC(CC(=O)N2CCC(C3=N[N-]N=N3)C2)=C(C)N1C1=CC(C)=CC(C)=C1	REAL300020195408	0	53	-1.0	-47.78	429.49	10.06	-37.72
CC1=CC(CC(=O)N2CCC(C3=NN=N[N-]3)C2)=C(C)N1C1=CC(C)=CC(C)=C1	REAL300020195408	1	53	-1.0	-47.78	429.56	10.06	-37.72
O=C([C@@H]1CCO[C@H]1C1=CC=C(Cl)C(F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195409	0	41	-1.0	-42.19	351.66	5.32	-36.87
O=C([C@@H]1CCO[C@H]1C1=CC=C(Cl)C(F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195409	1	41	-1.0	-42.19	351.74	5.33	-36.86
CC(C)(C)OC(=O)N1CCOC(C)(C(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020195410	0	51	-1.0	-49.01	384.51	3.65	-45.36
CC(C)(C)OC(=O)N1CCOC(C)(C(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020195410	1	51	-1.0	-49.01	384.59	3.66	-45.35
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(C2=CC=C(Cl)C=C2Cl)CCCC1	REAL300020195411	0	43	-1.0	-39.29	345.20	7.60	-31.69
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(C2=CC=C(Cl)C=C2Cl)CCCC1	REAL300020195411	1	43	-1.0	-39.26	345.27	7.61	-31.65
CC(C)C(C)(CC1=CC=CC=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195412	0	48	-1.0	-41.44	342.27	6.63	-34.81
CC(C)C(C)(CC1=CC=CC=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195412	1	48	-1.0	-41.40	342.35	6.64	-34.76
CC(C)(C)OC(=O)C1(C(=O)N2CCC(C3=N[N-]N=N3)C2)CCS(=O)(=O)CC1	REAL300020195413	0	51	-1.0	-45.25	390.58	2.34	-42.91
CC(C)(C)OC(=O)C1(C(=O)N2CCC(C3=NN=N[N-]3)C2)CCS(=O)(=O)CC1	REAL300020195413	1	51	-1.0	-45.25	390.65	2.35	-42.90
C[C@@H]1C[C@@]1(C(=O)OC(C)(C)C)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195414	0	45	-1.0	-42.41	357.16	5.53	-36.88
C[C@@H]1C[C@@]1(C(=O)OC(C)(C)C)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195414	1	45	-1.0	-42.42	357.23	5.54	-36.88
O=C(C1=C2CCCCN2C(C(F)(F)F)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195415	0	40	-1.0	-42.70	335.61	5.33	-37.37
O=C(C1=C2CCCCN2C(C(F)(F)F)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195415	1	40	-1.0	-42.72	335.54	5.33	-37.39
CCC1=C(CC(=O)N2CCC(C3=N[N-]N=N3)C2)C2=CC=CC=C2O1	REAL300020195416	0	42	-1.0	-47.81	347.46	6.60	-41.21
CCC1=C(CC(=O)N2CCC(C3=NN=N[N-]3)C2)C2=CC=CC=C2O1	REAL300020195416	1	42	-1.0	-47.80	347.54	6.62	-41.18
O=C(C=CSC1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195417	0	35	-1.0	-43.67	315.31	5.80	-37.87
O=C(C=CSC1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195417	1	35	-1.0	-43.72	315.39	5.81	-37.91
CC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C(C)N1C1=CN=CC=N1	REAL300020195418	0	42	-1.0	-47.20	342.66	4.66	-42.54
CC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C(C)N1C1=CN=CC=N1	REAL300020195418	1	42	-1.0	-47.18	342.58	4.65	-42.53
O=C([N-]CC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)O1)C(F)(F)F	REAL300020195419	0	36	-2.0	-76.13	336.20	0.05	-76.08
O=C([N-]CC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)O1)C(F)(F)F	REAL300020195419	1	36	-2.0	-76.13	336.27	0.06	-76.07
COCC1(C(=O)N2CCC(C3=N[N-]N=N3)C2)CCCCN1C(=O)OC(C)(C)C	REAL300020195420	0	57	-1.0	-40.98	408.69	5.83	-35.15
COCC1(C(=O)N2CCC(C3=NN=N[N-]3)C2)CCCCN1C(=O)OC(C)(C)C	REAL300020195420	1	57	-1.0	-41.03	408.77	5.84	-35.19
C=C(Cl)CC(NC(=O)OC(C)(C)C)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195421	0	47	-1.0	-37.56	386.78	3.15	-34.41
C=C(Cl)CC(NC(=O)OC(C)(C)C)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195421	1	47	-1.0	-37.55	386.86	3.17	-34.38
CC1=CN(C2CCOCC2)N=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195422	0	44	-1.0	-44.41	349.64	3.52	-40.89
CC1=CN(C2CCOCC2)N=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195422	1	44	-1.0	-44.41	349.56	3.51	-40.90
COC1=CC=C(Cl)C(C2=NOC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C2)=C1	REAL300020195423	0	40	-1.0	-41.54	353.90	4.91	-36.63
COC1=CC=C(Cl)C(C2=NOC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C2)=C1	REAL300020195423	1	40	-1.0	-41.54	353.83	4.90	-36.64
CCN1C(=O)CO[C@H](C(=O)N2CCC(C3=N[N-]N=N3)C2)[C@H]1C1=CC=NN1C	REAL300020195424	0	48	-1.0	-44.80	377.09	1.97	-42.83
CCN1C(=O)CO[C@H](C(=O)N2CCC(C3=NN=N[N-]3)C2)[C@H]1C1=CC=NN1C	REAL300020195424	1	48	-1.0	-44.80	377.16	1.98	-42.82
O=C(C1=CC=NC(Cl)=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020195425	0	29	-1.0	-42.51	278.87	2.83	-39.68
O=C(C1=CC=NC(Cl)=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020195425	1	29	-1.0	-42.48	278.79	2.83	-39.65
O=C(CC(O)C(Cl)(Cl)Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020195426	0	30	-1.0	-42.12	295.49	1.90	-40.22
O=C(CC(O)C(Cl)(Cl)Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020195426	1	30	-1.0	-42.13	295.57	1.92	-40.21
O=C(C1=CN=C(C2CC2)NC1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195427	0	36	-1.0	-53.05	311.78	2.31	-50.74
O=C(C1=CN=C(C2CC2)NC1=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195427	1	36	-1.0	-53.08	311.86	2.32	-50.76
O=C(C1=CC(Cl)=C(F)C([N+](=O)[O-])=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195428	0	32	-1.0	-41.06	298.89	4.73	-36.33
O=C(C1=CC(Cl)=C(F)C([N+](=O)[O-])=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195428	1	32	-1.0	-41.09	298.97	4.75	-36.34
CC(C)(C)OC(=O)N1CCCC(O)(CC(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020195429	0	54	-1.0	-51.87	408.44	3.73	-48.14
CC(C)(C)OC(=O)N1CCCC(O)(CC(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020195429	1	54	-1.0	-51.90	408.51	3.74	-48.16
O=C(C1=CC([N+](=O)[O-])=CC=C1N1C=NN=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195430	0	37	-1.0	-58.36	326.78	4.79	-53.57
O=C(C1=CC([N+](=O)[O-])=CC=C1N1C=NN=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195430	1	37	-1.0	-58.33	326.70	4.78	-53.55
CCCCCCCC(=O)NC(CCSC)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195431	0	58	-1.0	-38.71	464.75	6.65	-32.06
CCCCCCCC(=O)NC(CCSC)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195431	1	58	-1.0	-38.74	464.82	6.67	-32.07
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(C2=NC=CC3=CC=CC=C32)CC1	REAL300020195432	0	42	-1.0	-43.11	344.67	6.27	-36.84
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(C2=NC=CC3=CC=CC=C32)CC1	REAL300020195432	1	42	-1.0	-43.10	344.60	6.26	-36.84
CC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1C(F)(F)F	REAL300020195433	0	36	-1.0	-44.84	304.41	5.08	-39.76
CC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1C(F)(F)F	REAL300020195433	1	36	-1.0	-44.87	304.48	5.08	-39.79
O=C(C1=CC(OCC2=CC=CC=C2)=CS1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195434	0	41	-1.0	-44.02	354.62	6.03	-37.99
O=C(C1=CC(OCC2=CC=CC=C2)=CS1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195434	1	41	-1.0	-44.05	354.70	6.04	-38.01
CCOC1=CC=CC(CCC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020195435	0	43	-1.0	-44.26	353.48	5.81	-38.45
CCOC1=CC=CC(CCC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020195435	1	43	-1.0	-44.28	353.55	5.81	-38.47
CCN(C(=O)OC(C)(C)C)C(C)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195436	0	49	-1.0	-41.14	375.01	4.72	-36.42
CCN(C(=O)OC(C)(C)C)C(C)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195436	1	49	-1.0	-41.16	375.09	4.73	-36.43
CC1=CN2CCC(C(=O)N3CCC(C4=N[N-]N=N4)C3)CC2=N1	REAL300020195437	0	40	-1.0	-42.09	321.95	4.67	-37.42
CC1=CN2CCC(C(=O)N3CCC(C4=NN=N[N-]4)C3)CC2=N1	REAL300020195437	1	40	-1.0	-42.09	322.03	4.69	-37.40
CC1=C(F)C=C(S(N)(=O)=O)C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195438	0	38	-1.0	-46.74	331.76	-0.67	-47.41
CC1=C(F)C=C(S(N)(=O)=O)C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195438	1	38	-1.0	-46.75	331.83	-0.67	-47.42
CC1=CC=CC2=C1CC(C(=O)N1CCC(C3=N[N-]N=N3)C1)N2C(=O)OC(C)(C)C	REAL300020195439	0	54	-1.0	-51.80	423.13	7.62	-44.18
CC1=CC=CC2=C1CC(C(=O)N1CCC(C3=NN=N[N-]3)C1)N2C(=O)OC(C)(C)C	REAL300020195439	1	54	-1.0	-51.87	423.20	7.62	-44.25
O=C(CC1=C2CCCCN2N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195440	0	40	-1.0	-48.76	324.46	4.15	-44.61
O=C(CC1=C2CCCCN2N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195440	1	40	-1.0	-48.79	324.53	4.17	-44.62
CC1=CN2C=C(CC(=O)N3CCC(C4=N[N-]N=N4)C3)N=C2S1	REAL300020195441	0	36	-1.0	-56.03	319.18	5.41	-50.62
CC1=CN2C=C(CC(=O)N3CCC(C4=NN=N[N-]4)C3)N=C2S1	REAL300020195441	1	36	-1.0	-55.99	319.26	5.42	-50.57
COC1=CC(F)=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(Cl)=C1	REAL300020195442	0	34	-1.0	-43.79	311.26	3.70	-40.09
COC1=CC(F)=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(Cl)=C1	REAL300020195442	1	34	-1.0	-43.84	311.33	3.70	-40.14
CC1(C)OC(=O)C2=CC=CC=C2C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195443	0	43	-1.0	-52.22	347.50	6.19	-46.03
CC1(C)OC(=O)C2=CC=CC=C2C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195443	1	43	-1.0	-52.24	347.58	6.20	-46.04
O=C(C1=C(C(F)F)N=C2C=CC=CN21)N1CCC(C2=N[N-]N=N2)C1	REAL300020195444	0	36	-1.0	-47.48	321.31	5.13	-42.35
O=C(C1=C(C(F)F)N=C2C=CC=CN21)N1CCC(C2=NN=N[N-]2)C1	REAL300020195444	1	36	-1.0	-47.48	321.38	5.14	-42.34
O=C(C1=CC(C2=CC=CC(Cl)=C2F)=NO1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195445	0	36	-1.0	-43.33	332.66	5.57	-37.76
O=C(C1=CC(C2=CC=CC(Cl)=C2F)=NO1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195445	1	36	-1.0	-43.31	332.58	5.56	-37.75
CC1(C(=O)N2CCC(C3=N[N-]N=N3)C2)COC2=CC=CC=C2O1	REAL300020195446	0	39	-1.0	-44.56	313.44	3.73	-40.83
CC1(C(=O)N2CCC(C3=NN=N[N-]3)C2)COC2=CC=CC=C2O1	REAL300020195446	1	39	-1.0	-44.56	313.51	3.74	-40.82
COC(=O)C=CC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020195447	0	40	-1.0	-46.67	336.83	5.46	-41.21
COC(=O)C=CC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020195447	1	40	-1.0	-46.67	336.90	5.48	-41.19
CSC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1Br	REAL300020195448	0	34	-1.0	-40.74	308.43	5.10	-35.64
CSC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1Br	REAL300020195448	1	34	-1.0	-40.79	308.50	5.11	-35.68
CC(C)CC1(C(=O)N2CCC(C3=N[N-]N=N3)C2)CCNC1=O	REAL300020195449	0	43	-1.0	-53.08	320.36	2.29	-50.79
CC(C)CC1(C(=O)N2CCC(C3=NN=N[N-]3)C2)CCNC1=O	REAL300020195449	1	43	-1.0	-53.10	320.43	2.29	-50.81
CC(C)(C)OC(=O)CN1C=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)N=N1	REAL300020195450	0	44	-1.0	-48.94	363.85	3.57	-45.37
CC(C)(C)OC(=O)CN1C=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)N=N1	REAL300020195450	1	44	-1.0	-48.94	363.77	3.55	-45.39
CC(C)(C)OC(=O)C1=CC=CC=C1CC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195451	0	48	-1.0	-47.10	382.96	7.20	-39.90
CC(C)(C)OC(=O)C1=CC=CC=C1CC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195451	1	48	-1.0	-47.14	383.04	7.21	-39.93
O=C(CC1=CC=C(O)C(Cl)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195452	0	34	-1.0	-46.51	307.78	2.46	-44.05
O=C(CC1=CC=C(O)C(Cl)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195452	1	34	-1.0	-46.52	307.86	2.47	-44.05
O=C(C=CC1=CC=CC=C1OCC1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195453	0	48	-1.0	-48.74	400.01	8.59	-40.15
O=C(C=CC1=CC=CC=C1OCC1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195453	1	48	-1.0	-48.78	400.08	8.60	-40.18
CC1=CC(C)=C(C=CC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1C	REAL300020195454	0	43	-1.0	-43.80	345.78	6.95	-36.85
CC1=CC(C)=C(C=CC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1C	REAL300020195454	1	43	-1.0	-43.78	345.85	6.97	-36.81
O=C(C=CC1=CSC(C(F)(F)F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195455	0	34	-1.0	-44.05	320.40	5.38	-38.67
O=C(C=CC1=CSC(C(F)(F)F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195455	1	34	-1.0	-44.05	320.48	5.40	-38.65
CC(C)(C)OC(=O)NC1=CC=C(Cl)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020195456	0	47	-1.0	-42.93	390.51	4.47	-38.46
CC(C)(C)OC(=O)NC1=CC=C(Cl)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020195456	1	47	-1.0	-42.98	390.58	4.47	-38.51
O=C([C@@H]1CCCC[C@@H]1C(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020195457	0	39	-1.0	-44.16	304.31	4.80	-39.36
O=C([C@@H]1CCCC[C@@H]1C(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020195457	1	39	-1.0	-44.20	304.38	4.82	-39.38
O=C(CC1=CSC(CCC(F)(F)F)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195458	0	38	-1.0	-48.22	347.30	4.56	-43.66
O=C(CC1=CSC(CCC(F)(F)F)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195458	1	38	-1.0	-48.27	347.37	4.58	-43.69
O=C(C1C2CC3=CC(Br)=CC=C3C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020195459	0	38	-1.0	-41.06	335.88	7.24	-33.82
O=C(C1C2CC3=CC(Br)=CC=C3C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020195459	1	38	-1.0	-41.08	335.95	7.24	-33.84
O=C([C@@H]1C[C@H]1C1=C(F)C=CC=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020195460	0	37	-1.0	-44.32	324.75	6.46	-37.86
O=C([C@@H]1C[C@H]1C1=C(F)C=CC=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020195460	1	37	-1.0	-44.33	324.83	6.46	-37.87
CC(C(=O)N1CCC(C2=NN=N[N-]2)C1)N1C=CC(C(F)(F)F)=N1	REAL300020195461	0	36	-1.0	-46.17	318.81	3.36	-42.81
CC(C(=O)N1CCC(C2=N[N-]N=N2)C1)N1C=CC(C(F)(F)F)=N1	REAL300020195461	1	36	-1.0	-46.20	318.74	3.34	-42.86
CC1=CC=CC(COC(C)C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020195462	0	43	-1.0	-47.42	351.66	6.34	-41.08
CC1=CC=CC(COC(C)C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020195462	1	43	-1.0	-47.43	351.73	6.34	-41.09
O=C(C=CC1=CC=CC=C1C(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020195463	0	37	-1.0	-48.17	323.42	6.06	-42.11
O=C(C=CC1=CC=CC=C1C(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020195463	1	37	-1.0	-48.20	323.50	6.07	-42.13
O=C(C=CC1=CC=C2NC=CC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195464	0	38	-1.0	-47.11	321.22	5.28	-41.83
O=C(C=CC1=CC=C2NC=CC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195464	1	38	-1.0	-47.12	321.29	5.29	-41.83
CC(C)(C)OC(=O)N1CCCC(C=CC(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020195465	0	54	-1.0	-46.80	419.85	6.30	-40.50
CC(C)(C)OC(=O)N1CCCC(C=CC(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020195465	1	54	-1.0	-46.84	419.92	6.31	-40.53
COC(=O)C1=COC(C=CC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020195466	0	37	-1.0	-47.28	329.18	4.12	-43.16
COC(=O)C1=COC(C=CC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020195466	1	37	-1.0	-47.29	329.26	4.13	-43.16
O=C(C1=CN(CC2CCCC2)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195467	0	43	-1.0	-44.05	341.64	4.95	-39.10
O=C(C1=CN(CC2CCCC2)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195467	1	43	-1.0	-44.06	341.57	4.93	-39.13
COCCN1N=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1C	REAL300020195468	0	40	-1.0	-43.41	326.82	1.82	-41.59
COCCN1N=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1C	REAL300020195468	1	40	-1.0	-43.45	326.89	1.84	-41.61
CC(C)(C)OC(=O)N1CCC2(CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=NO2)C1	REAL300020195469	0	52	-1.0	-44.26	411.94	3.77	-40.49
CC(C)(C)OC(=O)N1CCC2(CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=NO2)C1	REAL300020195469	1	52	-1.0	-44.27	412.01	3.78	-40.49
CCN1C(=O)CO[C@H](C(=O)N2CCC(C3=N[N-]N=N3)C2)[C@H]1C1=CC=CC=C1	REAL300020195470	0	48	-1.0	-43.58	376.83	4.98	-38.60
CCN1C(=O)CO[C@H](C(=O)N2CCC(C3=NN=N[N-]3)C2)[C@H]1C1=CC=CC=C1	REAL300020195470	1	48	-1.0	-43.63	376.90	5.00	-38.63
CCOC(=O)N[C@H](CC1=CC=CC=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195471	0	47	-1.0	-42.10	383.72	3.86	-38.24
CCOC(=O)N[C@H](CC1=CC=CC=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195471	1	47	-1.0	-42.12	383.79	3.87	-38.25
CC1(C)[C@H](C(=O)N2CCC(C3=N[N-]N=N3)C2)[C@H]1C1=CC=CC=C1	REAL300020195472	0	43	-1.0	-43.12	340.65	6.94	-36.18
CC1(C)[C@H](C(=O)N2CCC(C3=NN=N[N-]3)C2)[C@H]1C1=CC=CC=C1	REAL300020195472	1	43	-1.0	-43.15	340.72	6.94	-36.21
COC1=CC(C)=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1C	REAL300020195473	0	40	-1.0	-43.60	321.67	4.34	-39.26
COC1=CC(C)=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1C	REAL300020195473	1	40	-1.0	-43.64	321.74	4.35	-39.29
O=C(CCC1=CC=C(F)C2=C1CCCC2)N1CCC(C2=N[N-]N=N2)C1	REAL300020195474	0	46	-1.0	-42.26	363.70	7.85	-34.41
O=C(CCC1=CC=C(F)C2=C1CCCC2)N1CCC(C2=NN=N[N-]2)C1	REAL300020195474	1	46	-1.0	-42.27	363.77	7.85	-34.42
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)OC(CNC(=O)OC(C)(C)C)=C1	REAL300020195475	0	50	-1.0	-43.06	403.61	3.39	-39.67
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)OC(CNC(=O)OC(C)(C)C)=C1	REAL300020195475	1	50	-1.0	-43.11	403.68	3.39	-39.72
CC(C)(C)OC(=O)NCC1=NC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=N1	REAL300020195476	0	48	-1.0	-42.81	388.16	1.20	-41.61
CC(C)(C)OC(=O)NCC1=NC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=N1	REAL300020195476	1	48	-1.0	-42.79	388.23	1.21	-41.58
O=C(CC1=COC2=CC(Cl)=CC=C12)N1CCC(C2=N[N-]N=N2)C1	REAL300020195477	0	36	-1.0	-46.34	325.27	5.65	-40.69
O=C(CC1=COC2=CC(Cl)=CC=C12)N1CCC(C2=NN=N[N-]2)C1	REAL300020195477	1	36	-1.0	-46.38	325.35	5.66	-40.72
CCC1=C2C=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)NC2=CC=C1	REAL300020195478	0	40	-1.0	-42.61	326.78	5.50	-37.11
CCC1=C2C=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)NC2=CC=C1	REAL300020195478	1	40	-1.0	-42.59	326.85	5.51	-37.08
O=C([C@@H]1OCCO[C@@H]1C(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020195479	0	35	-1.0	-44.34	288.48	2.04	-42.30
O=C([C@@H]1OCCO[C@@H]1C(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020195479	1	35	-1.0	-44.38	288.55	2.04	-42.34
O=C(CCC1=CC=C(F)C2=CC=CC=C12)N1CCC(C2=N[N-]N=N2)C1	REAL300020195480	0	42	-1.0	-43.20	350.16	7.72	-35.48
O=C(CCC1=CC=C(F)C2=CC=CC=C12)N1CCC(C2=NN=N[N-]2)C1	REAL300020195480	1	42	-1.0	-43.21	350.24	7.73	-35.48
CC(C)(C)OC(=O)NCC1(C(=O)N2CCC(C3=N[N-]N=N3)C2)CCCOC1	REAL300020195481	0	54	-1.0	-47.66	401.14	2.82	-44.84
CC(C)(C)OC(=O)NCC1(C(=O)N2CCC(C3=NN=N[N-]3)C2)CCCOC1	REAL300020195481	1	54	-1.0	-47.66	401.21	2.83	-44.83
CCOC(=O)C1(CC(=O)N2CCC(C3=N[N-]N=N3)C2)CCOCC1	REAL300020195482	0	46	-1.0	-50.16	357.55	4.61	-45.55
CCOC(=O)C1(CC(=O)N2CCC(C3=NN=N[N-]3)C2)CCOCC1	REAL300020195482	1	46	-1.0	-50.16	357.62	4.61	-45.55
O=C(C1=CC(O)=CC(Br)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195483	0	31	-1.0	-43.18	282.37	1.32	-41.86
O=C(C1=CC(O)=CC(Br)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195483	1	31	-1.0	-43.24	282.44	1.33	-41.91
CCC(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=C(Br)C=C1	REAL300020195484	0	39	-1.0	-42.74	333.08	6.33	-36.41
CCC(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=C(Br)C=C1	REAL300020195484	1	39	-1.0	-42.79	333.15	6.33	-36.46
O=C(C1C2CC3=CC(Cl)=CC=C3C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020195485	0	38	-1.0	-41.16	331.31	7.12	-34.04
O=C(C1C2CC3=CC(Cl)=CC=C3C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020195485	1	38	-1.0	-41.15	331.39	7.14	-34.01
O=C(CCCC1=CC=C2OCCCOC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195486	0	48	-1.0	-48.20	386.47	6.30	-41.90
O=C(CCCC1=CC=C2OCCCOC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195486	1	48	-1.0	-48.26	386.54	6.32	-41.94
COC1=CC=C(C2=CN=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C2)C(C)=C1	REAL300020195487	0	46	-1.0	-43.31	370.69	5.11	-38.20
COC1=CC=C(C2=CN=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C2)C(C)=C1	REAL300020195487	1	46	-1.0	-43.29	370.61	5.09	-38.20
O=C(C1CC2=CC=C(Cl)C=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020195488	0	34	-1.0	-42.02	299.72	5.70	-36.32
O=C(C1CC2=CC=C(Cl)C=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020195488	1	34	-1.0	-42.02	299.80	5.71	-36.31
O=C(C1=CC=C(C2CCOCC2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195489	0	44	-1.0	-44.07	342.55	4.94	-39.13
O=C(C1=CC=C(C2CCOCC2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195489	1	44	-1.0	-44.05	342.63	4.95	-39.10
CN1CC(=O)NC2=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=CN=C21	REAL300020195490	0	39	-1.0	-44.25	319.51	-0.51	-44.76
CN1CC(=O)NC2=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=CN=C21	REAL300020195490	1	39	-1.0	-44.24	319.44	-0.51	-44.75
CC1=CC(Br)=C(F)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020195491	0	33	-1.0	-44.93	301.84	5.03	-39.90
CC1=CC(Br)=C(F)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020195491	1	33	-1.0	-44.90	301.91	5.05	-39.85
O=C(C1=CC=C(C2=CC=CC(Cl)=C2)NC1=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195492	0	40	-1.0	-58.86	355.83	4.93	-53.93
O=C(C1=CC=C(C2=CC=CC(Cl)=C2)NC1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195492	1	40	-1.0	-58.83	355.76	4.91	-53.92
CN(C1=NC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CS1)C1=CC=CC=C1	REAL300020195493	0	41	-1.0	-42.28	357.12	6.80	-35.48
CN(C1=NC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CS1)C1=CC=CC=C1	REAL300020195493	1	41	-1.0	-42.24	357.05	6.78	-35.46
COC1=CC=C(C=CC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1O	REAL300020195494	0	39	-1.0	-46.91	330.05	2.40	-44.51
COC1=CC=C(C=CC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1O	REAL300020195494	1	39	-1.0	-46.95	330.12	2.40	-44.55
O=C(C=CC1=C(C(F)(F)F)SC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195495	0	34	-1.0	-46.87	315.49	5.22	-41.65
O=C(C=CC1=C(C(F)(F)F)SC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195495	1	34	-1.0	-46.90	315.56	5.22	-41.68
O=C(CCC1=CC=C(C(F)F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195496	0	39	-1.0	-43.49	334.31	6.44	-37.05
O=C(CCC1=CC=C(C(F)F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195496	1	39	-1.0	-43.51	334.39	6.45	-37.06
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)SC(C2CCOC2)=N1	REAL300020195497	0	40	-1.0	-41.52	332.33	2.33	-39.19
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)SC(C2CCOC2)=N1	REAL300020195497	1	40	-1.0	-41.52	332.40	2.34	-39.18
CN1C=C(CNC2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2)C=N1	REAL300020195498	0	45	-1.0	-49.21	369.01	3.98	-45.23
CN1C=C(CNC2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2)C=N1	REAL300020195498	1	45	-1.0	-49.20	368.93	3.97	-45.23
CN1C=CN=C1CNC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020195499	0	45	-1.0	-49.38	365.78	4.51	-44.87
CN1C=CN=C1CNC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020195499	1	45	-1.0	-49.37	365.85	4.53	-44.84
NC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)SC2=NC=CC=C12	REAL300020195500	0	34	-1.0	-45.12	293.00	1.41	-43.71
NC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)SC2=NC=CC=C12	REAL300020195500	1	34	-1.0	-45.11	292.93	1.39	-43.72
O=C(C1=CN=C(NC2CC2)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195501	0	35	-1.0	-42.95	306.70	2.69	-40.26
O=C(C1=CN=C(NC2CC2)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195501	1	35	-1.0	-42.95	306.63	2.68	-40.27
O=C(C1=CC=C(NCCC2=CC=CC=N2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195502	0	47	-1.0	-47.43	381.80	5.17	-42.26
O=C(C1=CC=C(NCCC2=CC=CC=N2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195502	1	47	-1.0	-47.43	381.87	5.19	-42.24
O=C(C1=CC=C(NCCN2C=CN=C2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195503	0	45	-1.0	-50.56	368.10	5.75	-44.81
O=C(C1=CC=C(NCCN2C=CN=C2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195503	1	45	-1.0	-50.62	368.17	5.77	-44.85
O=C(C1=CC=C(NCC2=CSC=C2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195504	0	42	-1.0	-45.11	356.23	5.11	-40.00
O=C(C1=CC=C(NCC2=CSC=C2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195504	1	42	-1.0	-45.13	356.31	5.12	-40.01
O=C(C1=CC2=CC(Br)=CC=C2C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195505	0	36	-1.0	-43.14	317.42	6.41	-36.73
O=C(C1=CC2=CC(Br)=CC=C2C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195505	1	36	-1.0	-43.20	317.49	6.41	-36.79
COC1=CC(I)=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195506	0	34	-1.0	-43.82	310.39	4.93	-38.89
COC1=CC(I)=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195506	1	34	-1.0	-43.83	310.46	4.94	-38.89
CN1C=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(C2=CC(F)=CC=C2F)=N1	REAL300020195507	0	40	-1.0	-50.05	343.98	5.11	-44.94
CN1C=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(C2=CC(F)=CC=C2F)=N1	REAL300020195507	1	40	-1.0	-50.07	343.91	5.11	-44.96
COC1=CC=CC(C(C)(C)C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020195508	0	43	-1.0	-42.21	330.89	4.86	-37.35
COC1=CC=CC(C(C)(C)C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020195508	1	43	-1.0	-42.19	330.96	4.87	-37.32
O=C(C1=C(C(F)(F)F)N(C2=CC=CC(F)=C2)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195509	0	40	-1.0	-44.59	346.61	5.52	-39.07
O=C(C1=C(C(F)(F)F)N(C2=CC=CC(F)=C2)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195509	1	40	-1.0	-44.64	346.54	5.50	-39.14
O=C(C1=CC=C(OC(F)(F)F)C=C1C(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020195510	0	37	-1.0	-41.73	334.03	4.48	-37.25
O=C(C1=CC=C(OC(F)(F)F)C=C1C(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020195510	1	37	-1.0	-41.70	334.11	4.48	-37.22
COC1=CC=CC=C1C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020195511	0	41	-1.0	-43.99	352.19	5.96	-38.03
COC1=CC=CC=C1C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020195511	1	41	-1.0	-44.00	352.26	5.96	-38.04
CC(C)(C)CC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020195512	0	45	-1.0	-43.51	346.52	6.57	-36.94
CC(C)(C)CC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020195512	1	45	-1.0	-43.48	346.59	6.59	-36.89
CCOC1COCCC1CC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195513	0	44	-1.0	-42.68	345.10	2.69	-39.99
CCOC1COCCC1CC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195513	1	44	-1.0	-42.68	345.17	2.70	-39.98
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=NN1C1=CC=C(C(F)(F)F)C=C1	REAL300020195514	0	43	-1.0	-43.16	366.14	6.25	-36.91
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=NN1C1=CC=C(C(F)(F)F)C=C1	REAL300020195514	1	43	-1.0	-43.09	366.22	6.26	-36.83
CC(C)(C)OC(=O)NC1(C(=O)N2CCC(C3=N[N-]N=N3)C2)CC1(F)F	REAL300020195515	0	44	-1.0	-39.31	353.97	2.29	-37.02
CC(C)(C)OC(=O)NC1(C(=O)N2CCC(C3=NN=N[N-]3)C2)CC1(F)F	REAL300020195515	1	44	-1.0	-39.31	354.05	2.31	-37.00
O=C(C=CCOC1CCOCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195516	0	42	-1.0	-46.25	341.86	2.64	-43.61
O=C(C=CCOC1CCOCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195516	1	42	-1.0	-46.25	341.93	2.65	-43.60
O=C(C=CC1=CC=C(N2CCCS2(=O)=O)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195517	0	46	-1.0	-56.48	386.14	3.75	-52.73
O=C(C=CC1=CC=C(N2CCCS2(=O)=O)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195517	1	46	-1.0	-56.47	386.21	3.76	-52.71
O=C(C=CC1=CC=C(Cl)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195518	0	33	-1.0	-44.35	301.64	3.90	-40.45
O=C(C=CC1=CC=C(Cl)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195518	1	33	-1.0	-44.32	301.71	3.91	-40.41
COC(=O)C1=CC=C(C=CC(=O)N2CCC(C3=N[N-]N=N3)C2)O1	REAL300020195519	0	37	-1.0	-44.00	330.80	4.30	-39.70
COC(=O)C1=CC=C(C=CC(=O)N2CCC(C3=NN=N[N-]3)C2)O1	REAL300020195519	1	37	-1.0	-44.00	330.87	4.31	-39.69
CN1C(=O)C[C@H](C(=O)N2CCC(C3=N[N-]N=N3)C2)[C@H]1C1=CC=CC(F)=C1	REAL300020195520	0	44	-1.0	-42.81	359.86	5.33	-37.48
CN1C(=O)C[C@H](C(=O)N2CCC(C3=NN=N[N-]3)C2)[C@H]1C1=CC=CC(F)=C1	REAL300020195520	1	44	-1.0	-42.81	359.93	5.34	-37.47
CN1C=C(C2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2)C=N1	REAL300020195521	0	40	-1.0	-48.15	329.96	4.84	-43.31
CN1C=C(C2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2)C=N1	REAL300020195521	1	40	-1.0	-48.13	329.88	4.83	-43.30
CC1=NN(CC(=O)N2CCC(C3=N[N-]N=N3)C2)C(C(F)F)=C1	REAL300020195522	0	36	-1.0	-49.67	316.72	3.42	-46.25
CC1=NN(CC(=O)N2CCC(C3=NN=N[N-]3)C2)C(C(F)F)=C1	REAL300020195522	1	36	-1.0	-49.70	316.79	3.43	-46.27
CC(C)C1=CC=C(OC2=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=CC=N2)C=C1	REAL300020195523	0	49	-1.0	-45.65	396.79	5.95	-39.70
CC(C)C1=CC=C(OC2=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=CC=N2)C=C1	REAL300020195523	1	49	-1.0	-45.63	396.72	5.94	-39.69
O=C(CC1=CN2C=C(F)C=CC2=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195524	0	36	-1.0	-52.48	313.25	5.44	-47.04
O=C(CC1=CN2C=C(F)C=CC2=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195524	1	36	-1.0	-52.54	313.32	5.45	-47.09
O=C(C1=CC=CC=N1)N1CCC[C@H]1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195525	0	43	-1.0	-57.06	350.79	4.30	-52.76
O=C(C1=CC=CC=N1)N1CCC[C@H]1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195525	1	43	-1.0	-57.05	350.71	4.28	-52.77
CCOC(=O)[C@@H]1CC[C@H](C(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020195526	0	42	-1.0	-49.60	336.41	5.01	-44.59
CCOC(=O)[C@@H]1CC[C@H](C(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020195526	1	42	-1.0	-49.56	336.49	5.03	-44.53
COC(=O)C1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1C	REAL300020195527	0	39	-1.0	-45.72	320.64	4.73	-40.99
COC(=O)C1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1C	REAL300020195527	1	39	-1.0	-45.70	320.71	4.75	-40.95
CC(=O)NC(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=CC(Br)=C1	REAL300020195528	0	40	-1.0	-43.36	355.04	3.71	-39.65
CC(=O)NC(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=CC(Br)=C1	REAL300020195528	1	40	-1.0	-43.33	355.11	3.73	-39.60
CC(C)(C)OC(=O)NC1=C(F)C=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1F	REAL300020197905	0	47	-1.0	-51.30	385.21	4.10	-47.20
CC(C)(C)OC(=O)NC1=C(F)C=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1F	REAL300020197905	1	47	-1.0	-51.32	385.28	4.10	-47.22
O=C(C1CCC(C(F)(F)F)CC1C(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020197906	0	42	-1.0	-41.89	334.85	5.40	-36.49
O=C(C1CCC(C(F)(F)F)CC1C(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020197906	1	42	-1.0	-41.95	334.93	5.42	-36.53
O=C(C1=C(C2CCOCC2)ON=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197907	0	40	-1.0	-40.41	320.77	2.85	-37.56
O=C(C1=C(C2CCOCC2)ON=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197907	1	40	-1.0	-40.40	320.84	2.86	-37.54
C[NH+](C)CCOC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020197908	0	46	0.0	-73.44	358.19	5.23	-68.21
C[NH+](C)CCOC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020197908	1	46	0.0	-73.46	358.26	5.25	-68.21
CP(C)(=O)C1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020197909	0	39	-1.0	-49.71	330.11	3.12	-46.59
CP(C)(=O)C1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020197909	1	39	-1.0	-49.67	330.19	3.14	-46.53
O=C(N1CCC(C2=N[N-]N=N2)C1)C(F)(F)CC1=CC=C(Br)C=C1	REAL300020197910	0	36	-1.0	-37.72	330.24	6.09	-31.63
O=C(N1CCC(C2=NN=N[N-]2)C1)C(F)(F)CC1=CC=C(Br)C=C1	REAL300020197910	1	36	-1.0	-37.73	330.31	6.10	-31.63
CC(C)(C)C1CCC2=C(C=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C(=O)N2)C1	REAL300020197911	0	52	-1.0	-53.48	396.73	5.31	-48.17
CC(C)(C)C1CCC2=C(C=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C(=O)N2)C1	REAL300020197911	1	52	-1.0	-53.51	396.80	5.33	-48.18
O=C(C1=COC(CN2C=C(Br)C=N2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197912	0	37	-1.0	-49.80	339.53	4.17	-45.63
O=C(C1=COC(CN2C=C(Br)C=N2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197912	1	37	-1.0	-49.84	339.46	4.16	-45.68
O=C(CC1=C(F)C=CC(F)=C1Br)N1CCC(C2=N[N-]N=N2)C1	REAL300020197913	0	33	-1.0	-44.13	309.84	5.35	-38.78
O=C(CC1=C(F)C=CC(F)=C1Br)N1CCC(C2=NN=N[N-]2)C1	REAL300020197913	1	33	-1.0	-44.16	309.91	5.35	-38.81
O=C(C1=CC=CC(N=S2(=O)CCCC2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197914	0	44	-1.0	-55.59	355.67	3.39	-52.20
O=C(C1=CC=CC(N=S2(=O)CCCC2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197914	1	44	-1.0	-55.58	355.74	3.40	-52.18
CN1C=NC2=C1CCCC2C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197915	0	40	-1.0	-51.01	320.95	5.43	-45.58
CN1C=NC2=C1CCCC2C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197915	1	40	-1.0	-50.99	321.02	5.44	-45.55
CN=S(C)(=O)C1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020197916	0	40	-1.0	-52.43	336.34	0.84	-51.59
CN=S(C)(=O)C1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020197916	1	40	-1.0	-52.42	336.41	0.85	-51.57
CC(C)(C)OC(=O)NOCCCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197917	0	47	-1.0	-52.51	382.09	2.96	-49.55
CC(C)(C)OC(=O)NOCCCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197917	1	47	-1.0	-52.58	382.17	2.97	-49.61
O=C(C1=NOC(COC2=CC=CC=C2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197918	0	40	-1.0	-42.92	343.66	4.88	-38.04
O=C(C1=NOC(COC2=CC=CC=C2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197918	1	40	-1.0	-42.93	343.73	4.90	-38.03
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=NN1C(C)C(C)C	REAL300020197919	0	45	-1.0	-43.88	350.35	4.86	-39.02
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=NN1C(C)C(C)C	REAL300020197919	1	45	-1.0	-43.91	350.42	4.86	-39.05
CCCSC1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020197920	0	40	-1.0	-42.59	333.20	6.22	-36.37
CCCSC1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020197920	1	40	-1.0	-42.59	333.27	6.23	-36.36
COC1=CC=C2C(=C1)CCCC2C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197921	0	44	-1.0	-45.37	347.06	5.45	-39.92
COC1=CC=C2C(=C1)CCCC2C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197921	1	44	-1.0	-45.34	347.13	5.48	-39.86
COC1=CC=C(Cl)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020197922	0	33	-1.0	-42.16	292.74	2.08	-40.08
COC1=CC=C(Cl)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020197922	1	33	-1.0	-42.21	292.66	2.07	-40.14
O=C(C1=CC=C(C2=CC=CC(Cl)=C2)C=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197923	0	39	-1.0	-43.51	340.77	6.68	-36.83
O=C(C1=CC=C(C2=CC=CC(Cl)=C2)C=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197923	1	39	-1.0	-43.51	340.69	6.68	-36.83
CCCCSC1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020197924	0	43	-1.0	-42.52	354.70	7.00	-35.52
CCCCSC1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020197924	1	43	-1.0	-42.54	354.77	7.01	-35.53
CC1=NC=NC2=C1CC(C(=O)N1CCC(C3=N[N-]N=N3)C1)CC2	REAL300020197925	0	41	-1.0	-43.64	327.77	4.81	-38.83
CC1=NC=NC2=C1CC(C(=O)N1CCC(C3=NN=N[N-]3)C1)CC2	REAL300020197925	1	41	-1.0	-43.61	327.85	4.82	-38.79
O=C(C(O)C1=CC=C(Cl)C=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020197926	0	34	-1.0	-43.04	309.78	3.09	-39.95
O=C(C(O)C1=CC=C(Cl)C=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020197926	1	34	-1.0	-43.07	309.85	3.09	-39.98
CC1C(=O)N(CC(=O)N2CCC(C3=N[N-]N=N3)C2)C(=O)C1C	REAL300020197927	0	39	-1.0	-50.16	327.67	2.97	-47.19
CC1C(=O)N(CC(=O)N2CCC(C3=NN=N[N-]3)C2)C(=O)C1C	REAL300020197927	1	39	-1.0	-50.16	327.75	2.98	-47.18
O=C(CC1=C(Br)C=CC(Cl)=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020197928	0	33	-1.0	-43.75	320.31	5.81	-37.94
O=C(CC1=C(Br)C=CC(Cl)=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020197928	1	33	-1.0	-43.71	320.38	5.81	-37.90
O=C(CC1=CC=C(Br)C2=CC=CC=C12)N1CCC(C2=N[N-]N=N2)C1	REAL300020197929	0	39	-1.0	-45.65	341.82	7.40	-38.25
O=C(CC1=CC=C(Br)C2=CC=CC=C12)N1CCC(C2=NN=N[N-]2)C1	REAL300020197929	1	39	-1.0	-45.64	341.90	7.41	-38.23
O=C(C1=COC2=CC=C(Br)C=C12)N1CCC(C2=N[N-]N=N2)C1	REAL300020197930	0	33	-1.0	-47.11	300.07	4.68	-42.43
O=C(C1=COC2=CC=C(Br)C=C12)N1CCC(C2=NN=N[N-]2)C1	REAL300020197930	1	33	-1.0	-47.12	300.14	4.68	-42.44
C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197931	0	54	-1.0	-49.85	410.31	4.08	-45.77
C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197931	1	54	-1.0	-49.86	410.38	4.09	-45.77
O=C(C1CCC(OC(F)(F)F)CC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197932	0	40	-1.0	-41.86	330.32	3.66	-38.20
O=C(C1CCC(OC(F)(F)F)CC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197932	1	40	-1.0	-41.90	330.39	3.67	-38.23
CC(CC1=CC=C(Cl)C(Cl)=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197933	0	39	-1.0	-42.31	349.96	6.87	-35.44
CC(CC1=CC=C(Cl)C(Cl)=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197933	1	39	-1.0	-42.30	350.04	6.89	-35.41
O=C(C1=CC2=CC=C(Br)C=C2O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197934	0	33	-1.0	-39.55	305.55	5.07	-34.48
O=C(C1=CC2=CC=C(Br)C=C2O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197934	1	33	-1.0	-39.50	305.62	5.09	-34.41
CC(CN1C=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=N1)NC(=O)OC(C)(C)C	REAL300020197935	0	53	-1.0	-49.83	423.35	2.90	-46.93
CC(CN1C=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=N1)NC(=O)OC(C)(C)C	REAL300020197935	1	53	-1.0	-49.82	423.28	2.90	-46.92
CC(C)OC1=CC=C(F)C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197936	0	40	-1.0	-45.44	329.63	5.34	-40.10
CC(C)OC1=CC=C(F)C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197936	1	40	-1.0	-45.47	329.70	5.34	-40.13
COC1=NC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(C(F)F)=N1	REAL300020197937	0	35	-1.0	-41.51	305.23	-0.69	-42.20
COC1=NC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(C(F)F)=N1	REAL300020197937	1	35	-1.0	-41.55	305.30	-0.69	-42.24
O=C(CC1CCC2(CCCC2)CC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197938	0	49	-1.0	-42.93	358.50	7.18	-35.75
O=C(CC1CCC2(CCCC2)CC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197938	1	49	-1.0	-42.96	358.57	7.19	-35.77
COC1=CC=C(N2CCCCC2)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020197939	0	49	-1.0	-45.43	379.59	5.13	-40.30
COC1=CC=C(N2CCCCC2)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020197939	1	49	-1.0	-45.42	379.67	5.14	-40.28
O=C(C1=CC=C(C2=CC=CC=N2)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197940	0	36	-1.0	-44.12	317.51	4.77	-39.35
O=C(C1=CC=C(C2=CC=CC=N2)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197940	1	36	-1.0	-44.09	317.44	4.77	-39.32
COC1CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)CN(C(=O)OC(C)(C)C)C1	REAL300020197941	0	54	-1.0	-44.78	415.75	3.95	-40.83
COC1CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)CN(C(=O)OC(C)(C)C)C1	REAL300020197941	1	54	-1.0	-44.76	415.82	3.96	-40.80
O=C(C1=CN=C2CCOCC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197942	0	37	-1.0	-42.84	299.01	1.80	-41.04
O=C(C1=CN=C2CCOCC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197942	1	37	-1.0	-42.85	299.09	1.80	-41.05
O=C(CC1COCC2=CC=CC=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020197943	0	41	-1.0	-44.58	326.04	4.63	-39.95
O=C(CC1COCC2=CC=CC=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020197943	1	41	-1.0	-44.57	326.10	4.64	-39.93
O=C(C1=CC=CC(C2=NC3=CC=CC=C3O2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197944	0	42	-1.0	-46.47	352.90	4.37	-42.10
O=C(C1=CC=CC(C2=NC3=CC=CC=C3O2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197944	1	42	-1.0	-46.48	352.83	4.36	-42.12
O=C(C#CC1=CC=C(Br)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197945	0	32	-1.0	-40.70	309.18	6.05	-34.65
O=C(C#CC1=CC=C(Br)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197945	1	32	-1.0	-40.75	309.25	6.06	-34.69
CC(C)(C)OC(=O)NCC1CC(CC(=O)N2CCC(C3=N[N-]N=N3)C2)CO1	REAL300020197946	0	54	-1.0	-48.76	422.59	2.39	-46.37
CC(C)(C)OC(=O)NCC1CC(CC(=O)N2CCC(C3=NN=N[N-]3)C2)CO1	REAL300020197946	1	54	-1.0	-48.75	422.66	2.40	-46.35
C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C(=O)N2CCC(C3=N[N-]N=N3)C2)O1	REAL300020197947	0	51	-1.0	-46.92	386.96	4.24	-42.68
C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C(=O)N2CCC(C3=NN=N[N-]3)C2)O1	REAL300020197947	1	51	-1.0	-46.93	387.04	4.25	-42.68
O=C(CC1CCCCCC1(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020197948	0	42	-1.0	-43.84	317.92	5.42	-38.42
O=C(CC1CCCCCC1(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020197948	1	42	-1.0	-43.84	317.99	5.43	-38.41
CC(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=C(C2=CC=CC=C2Cl)C=C1	REAL300020197949	0	46	-1.0	-46.92	390.04	9.12	-37.80
CC(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=C(C2=CC=CC=C2Cl)C=C1	REAL300020197949	1	46	-1.0	-46.97	390.11	9.13	-37.84
COC(=O)C1=CC=C2NN=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C2=C1	REAL300020197950	0	39	-1.0	-51.01	336.76	3.50	-47.51
COC(=O)C1=CC=C2NN=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C2=C1	REAL300020197950	1	39	-1.0	-51.04	336.84	3.51	-47.53
CC(C)(C)OC(=O)N1CC(C2=NOC(C(=O)N3CCC(C4=N[N-]N=N4)C3)C2)C1	REAL300020197951	0	52	-1.0	-54.38	417.48	4.75	-49.63
CC(C)(C)OC(=O)N1CC(C2=NOC(C(=O)N3CCC(C4=NN=N[N-]4)C3)C2)C1	REAL300020197951	1	52	-1.0	-54.43	417.55	4.77	-49.66
CC1=NOC(C(=O)N2CCC(C3=N[N-]N=N3)C2)(C2=CC=CC=C2)C1	REAL300020197952	0	41	-1.0	-44.21	331.91	4.67	-39.54
CC1=NOC(C(=O)N2CCC(C3=NN=N[N-]3)C2)(C2=CC=CC=C2)C1	REAL300020197952	1	41	-1.0	-44.21	331.98	4.68	-39.53
CC(C)(C)OC(=O)C12CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)(C1)CO2	REAL300020197953	0	47	-1.0	-43.58	370.77	4.05	-39.53
CC(C)(C)OC(=O)C12CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)(C1)CO2	REAL300020197953	1	47	-1.0	-43.59	370.84	4.06	-39.53
COC(=O)CC(C(=O)N1CCC(C2=NN=N[N-]2)C1)[NH+]1CCCCC1	REAL300020197954	0	48	0.0	-65.26	358.61	6.26	-59.00
COC(=O)CC(C(=O)N1CCC(C2=N[N-]N=N2)C1)N1CCCCC1	REAL300020197954	1	47	-1.0	-42.17	357.05	3.32	-38.85
COC(=O)CC(C(=O)N1CCC(C2=NN=N[N-]2)C1)N1CCCCC1	REAL300020197954	1	47	-1.0	-42.18	357.13	3.33	-38.85
CCOC(=O)[C@H]1C[C@@](F)(C(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020197955	0	39	-1.0	-44.32	327.06	4.54	-39.78
CCOC(=O)[C@H]1C[C@@](F)(C(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020197955	1	39	-1.0	-44.35	327.13	4.55	-39.80
CCOC(=O)[C@H]1C[C@](F)(C(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020197956	0	39	-1.0	-40.11	326.77	4.53	-35.58
CCOC(=O)[C@H]1C[C@](F)(C(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020197956	1	39	-1.0	-40.09	326.85	4.54	-35.55
CC(C)(C)OC(=O)NCC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=NN1	REAL300020197957	0	47	-1.0	-45.38	384.32	0.97	-44.41
CC(C)(C)OC(=O)NCC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=NN1	REAL300020197957	1	47	-1.0	-45.36	384.39	0.98	-44.38
CC(C)(C)OC(=O)N1CCCCC1CC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197958	0	53	-1.0	-47.48	396.09	6.00	-41.48
CC(C)(C)OC(=O)N1CCCCC1CC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197958	1	53	-1.0	-47.48	396.16	6.01	-41.47
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](C(=O)N3CCC(C4=N[N-]N=N4)C3)C[C@@H]2C1	REAL300020197959	0	54	-1.0	-47.54	407.15	5.59	-41.95
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](C(=O)N3CCC(C4=NN=N[N-]4)C3)C[C@@H]2C1	REAL300020197959	1	54	-1.0	-47.58	407.23	5.59	-41.99
CC(C)(C)OC(=O)N1CC2(C)CC1(C(=O)N1CCC(C3=N[N-]N=N3)C1)C2	REAL300020197960	0	51	-1.0	-48.15	390.18	5.23	-42.92
CC(C)(C)OC(=O)N1CC2(C)CC1(C(=O)N1CCC(C3=NN=N[N-]3)C1)C2	REAL300020197960	1	51	-1.0	-48.12	390.25	5.23	-42.89
O=C(C1=CC=CC=C1)C1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020197961	0	42	-1.0	-45.77	347.86	6.83	-38.94
O=C(C1=CC=CC=C1)C1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020197961	1	42	-1.0	-45.78	347.93	6.84	-38.94
CC(C)(C)OC(=O)NC(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=NS1	REAL300020197962	0	46	-1.0	-44.35	381.78	2.22	-42.13
CC(C)(C)OC(=O)NC(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=NS1	REAL300020197962	1	46	-1.0	-44.33	381.85	2.22	-42.11
CC1CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)CCS1(=O)=O	REAL300020197963	0	39	-1.0	-42.18	313.71	0.70	-41.48
CC1CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)CCS1(=O)=O	REAL300020197963	1	39	-1.0	-42.14	313.79	0.71	-41.43
O=C([C@@H]1C[C@]12CCCC1=CC=CC=C12)N1CCC(C2=N[N-]N=N2)C1	REAL300020197964	0	44	-1.0	-42.86	343.57	7.61	-35.25
O=C([C@@H]1C[C@]12CCCC1=CC=CC=C12)N1CCC(C2=NN=N[N-]2)C1	REAL300020197964	1	44	-1.0	-42.89	343.64	7.61	-35.28
O=C(C1=CC=CC(N2CCCNS2(=O)=O)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197965	0	44	-1.0	-59.05	363.90	0.57	-58.48
O=C(C1=CC=CC(N2CCCNS2(=O)=O)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197965	1	44	-1.0	-59.06	363.98	0.58	-58.48
CC(C1CC1)N1CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)CC1=O	REAL300020197966	0	44	-1.0	-44.80	346.71	4.49	-40.31
CC(C1CC1)N1CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)CC1=O	REAL300020197966	1	44	-1.0	-44.82	346.79	4.49	-40.33
CC(C)(C)OC(=O)N1CCC(C(=O)N2CCC(C3=N[N-]N=N3)C2)(C2CCC2)C1	REAL300020197967	0	57	-1.0	-42.35	409.97	6.96	-35.39
CC(C)(C)OC(=O)N1CCC(C(=O)N2CCC(C3=NN=N[N-]3)C2)(C2CCC2)C1	REAL300020197967	1	57	-1.0	-42.33	410.05	6.97	-35.36
CC(C)(C)OC(=O)NOC(C)(C)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197968	0	47	-1.0	-45.50	369.36	2.91	-42.59
CC(C)(C)OC(=O)NOC(C)(C)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197968	1	47	-1.0	-45.51	369.43	2.91	-42.60
CCC1=CN2CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)CCC2=N1	REAL300020197969	0	43	-1.0	-43.86	344.18	5.43	-38.43
CCC1=CN2CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)CCC2=N1	REAL300020197969	1	43	-1.0	-43.84	344.25	5.44	-38.40
O=C(C1=CC=C(CC2=CC=CC=C2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197970	0	43	-1.0	-45.16	352.84	8.02	-37.14
O=C(C1=CC=C(CC2=CC=CC=C2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197970	1	43	-1.0	-45.16	352.91	8.03	-37.13
C[C@@H](C1=CC=C(Cl)C=C1)N1CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)CC1=O	REAL300020197971	0	47	-1.0	-45.34	389.50	6.87	-38.47
C[C@@H](C1=CC=C(Cl)C=C1)N1CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)CC1=O	REAL300020197971	1	47	-1.0	-45.37	389.58	6.88	-38.49
CC(C)(C)OC(=O)N1CC=C(C(C)(C)C(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020197972	0	54	-1.0	-43.37	409.40	5.78	-37.59
CC(C)(C)OC(=O)N1CC=C(C(C)(C)C(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020197972	1	54	-1.0	-43.35	409.47	5.80	-37.55
CCC1(C(=O)N2CCC(C3=N[N-]N=N3)C2)CCCN(C(=O)OC(C)(C)C)C1	REAL300020197973	0	56	-1.0	-54.01	404.42	5.73	-48.28
CCC1(C(=O)N2CCC(C3=NN=N[N-]3)C2)CCCN(C(=O)OC(C)(C)C)C1	REAL300020197973	1	56	-1.0	-53.98	404.50	5.74	-48.24
CC(C)(C)OC(=O)N1CCCC1C1(C(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020197974	0	54	-1.0	-48.97	405.94	5.98	-42.99
CC(C)(C)OC(=O)N1CCCC1C1(C(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020197974	1	54	-1.0	-48.95	406.01	6.00	-42.95
CC(C)(C)OC(=O)N[C@@H]1COCC[C@@H]1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197975	0	51	-1.0	-46.04	393.28	2.07	-43.97
CC(C)(C)OC(=O)N[C@@H]1COCC[C@@H]1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197975	1	51	-1.0	-46.04	393.36	2.08	-43.96
O=C(C1=CN=CC(N2C=CN=C2)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197976	0	35	-1.0	-43.54	302.76	4.38	-39.16
O=C(C1=CN=CC(N2C=CN=C2)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197976	1	35	-1.0	-43.57	302.83	4.38	-39.19
CC1(C)CC2=CC=CC(CC(=O)N3CCC(C4=N[N-]N=N4)C3)=C2O1	REAL300020197977	0	44	-1.0	-47.38	358.03	5.97	-41.41
CC1(C)CC2=CC=CC(CC(=O)N3CCC(C4=NN=N[N-]4)C3)=C2O1	REAL300020197977	1	44	-1.0	-47.35	358.10	5.99	-41.36
O=C(CCCOC1=CC=CC([N+](=O)[O-])=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197978	0	42	-1.0	-52.79	360.31	5.83	-46.96
O=C(CCCOC1=CC=CC([N+](=O)[O-])=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197978	1	42	-1.0	-52.77	360.38	5.84	-46.93
CN1C=NC2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2C1=O	REAL300020197979	0	38	-1.0	-54.65	316.26	4.21	-50.44
CN1C=NC2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2C1=O	REAL300020197979	1	38	-1.0	-54.68	316.18	4.20	-50.48
CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197980	0	50	-1.0	-49.74	384.63	3.35	-46.39
CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197980	1	50	-1.0	-49.81	384.71	3.36	-46.45
CC(C)(C)OC(=O)N1CCC(C(C)(C)C(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020197981	0	56	-1.0	-52.83	409.50	5.15	-47.68
CC(C)(C)OC(=O)N1CCC(C(C)(C)C(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020197981	1	56	-1.0	-52.81	409.58	5.16	-47.65
CC(C)(C)OC(=O)NC(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1CC=CCC1	REAL300020197982	0	54	-1.0	-40.34	405.78	4.24	-36.10
CC(C)(C)OC(=O)NC(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1CC=CCC1	REAL300020197982	1	54	-1.0	-40.31	405.86	4.25	-36.06
CC(C)(C)OC(=O)NC1(C(=O)N2CCC(C3=N[N-]N=N3)C2)CCSCC1	REAL300020197983	0	51	-1.0	-46.57	387.55	4.98	-41.59
CC(C)(C)OC(=O)NC1(C(=O)N2CCC(C3=NN=N[N-]3)C2)CCSCC1	REAL300020197983	1	51	-1.0	-46.59	387.63	5.00	-41.59
CC(C)(C)OC(=O)N1C[C@@]2(C)C[C@@]2(C(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020197984	0	51	-1.0	-51.21	398.08	5.15	-46.06
CC(C)(C)OC(=O)N1C[C@@]2(C)C[C@@]2(C(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020197984	1	51	-1.0	-51.18	398.15	5.16	-46.02
CC(C)(C)OC(=O)N1C2=CC=CC=C2CC1(C)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197985	0	54	-1.0	-45.57	408.67	7.53	-38.04
CC(C)(C)OC(=O)N1C2=CC=CC=C2CC1(C)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197985	1	54	-1.0	-45.54	408.74	7.53	-38.01
CC(C)(C)OC(=O)NC12CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)(C1)OC2	REAL300020197986	0	49	-1.0	-41.86	384.95	1.29	-40.57
CC(C)(C)OC(=O)NC12CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)(C1)OC2	REAL300020197986	1	49	-1.0	-41.86	385.02	1.30	-40.56
CC(C)(C)OC(=O)N[C@@H](CC1=CNC=N1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197987	0	50	-1.0	-43.41	395.03	2.74	-40.67
CC(C)(C)OC(=O)N[C@@H](CC1=CNC=N1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197987	1	50	-1.0	-43.38	395.10	2.74	-40.64
CC(C)(C)OC(=O)NC1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1F	REAL300020197988	0	47	-1.0	-45.93	380.67	4.08	-41.85
CC(C)(C)OC(=O)NC1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1F	REAL300020197988	1	47	-1.0	-45.94	380.74	4.08	-41.86
CC(CNC(=O)OC(C)(C)C)C(F)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197989	0	49	-1.0	-46.38	390.55	2.87	-43.51
CC(CNC(=O)OC(C)(C)C)C(F)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197989	1	49	-1.0	-46.42	390.63	2.88	-43.54
CC(C)(C)OC(=O)N1CCC2(CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)C2)C1	REAL300020197990	0	54	-1.0	-49.30	418.71	5.89	-43.41
CC(C)(C)OC(=O)N1CCC2(CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)C2)C1	REAL300020197990	1	54	-1.0	-49.30	418.78	5.90	-43.40
CC(C)(C)OC(=O)N[C@@H](CF)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197991	0	43	-1.0	-41.49	346.88	1.57	-39.92
CC(C)(C)OC(=O)N[C@@H](CF)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197991	1	43	-1.0	-41.50	346.95	1.58	-39.92
CC(C)(C)OC(=O)N1CCC[C@]2(C(=O)N3CCC(C4=N[N-]N=N4)C3)CCC[C@H]12	REAL300020197992	0	57	-1.0	-54.37	412.61	5.99	-48.38
CC(C)(C)OC(=O)N1CCC[C@]2(C(=O)N3CCC(C4=NN=N[N-]4)C3)CCC[C@H]12	REAL300020197992	1	57	-1.0	-54.39	412.68	5.99	-48.40
O=C(C1=CC(Cl)=C(F)C(Cl)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197993	0	30	-1.0	-38.21	292.72	4.78	-33.43
O=C(C1=CC(Cl)=C(F)C(Cl)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197993	1	30	-1.0	-38.21	292.79	4.78	-33.43
C[C@@H]1C[C@H]1C(=O)NC1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020197994	0	44	-1.0	-56.59	358.21	4.73	-51.86
C[C@@H]1C[C@H]1C(=O)NC1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020197994	1	44	-1.0	-56.61	358.28	4.73	-51.88
CC(C)(C)OC(=O)N1CCC(COCC(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020197995	0	57	-1.0	-48.74	441.25	6.18	-42.56
CC(C)(C)OC(=O)N1CCC(COCC(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020197995	1	57	-1.0	-48.74	441.32	6.20	-42.54
O=C(C1=CN([C@@H]2COC[C@@H]2F)N=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197996	0	37	-1.0	-44.09	312.83	0.74	-43.35
O=C(C1=CN([C@@H]2COC[C@@H]2F)N=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197996	1	37	-1.0	-44.15	312.76	0.73	-43.42
CC1CCC(OCCCC(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020197997	0	49	-1.0	-45.41	378.40	6.00	-39.41
CC1CCC(OCCCC(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020197997	1	49	-1.0	-45.40	378.48	6.01	-39.39
C[C@@H]1C[C@H]1C(=O)NC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020197998	0	44	-1.0	-50.48	358.22	4.71	-45.77
C[C@@H]1C[C@H]1C(=O)NC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020197998	1	44	-1.0	-50.45	358.29	4.72	-45.73
O=C(CC1CC2=CC=CC=C2NC1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197999	0	41	-1.0	-53.41	334.16	5.08	-48.33
O=C(CC1CC2=CC=CC=C2NC1=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197999	1	41	-1.0	-53.42	334.23	5.09	-48.33
CC1(C)C(=O)NC2CCC(C(=O)N3CCC(C4=N[N-]N=N4)C3)CC21	REAL300020198000	0	47	-1.0	-50.07	349.50	2.26	-47.81
CC1(C)C(=O)NC2CCC(C(=O)N3CCC(C4=NN=N[N-]4)C3)CC21	REAL300020198000	1	47	-1.0	-50.05	349.57	2.26	-47.79
COC1(C2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=N2)CCOCC1	REAL300020198001	0	47	-1.0	-43.46	364.36	2.31	-41.15
COC1(C2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=N2)CCOCC1	REAL300020198001	1	47	-1.0	-43.43	364.29	2.31	-41.12
CC(C)(C)OC(=O)NCCC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=NO1	REAL300020198002	0	49	-1.0	-47.09	401.79	2.85	-44.24
CC(C)(C)OC(=O)NCCC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=NO1	REAL300020198002	1	49	-1.0	-47.06	401.86	2.86	-44.20
O=C(C1=CC=C2SN=CC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020198003	0	32	-1.0	-42.57	285.76	3.88	-38.69
O=C(C1=CC=C2SN=CC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020198003	1	32	-1.0	-42.55	285.69	3.87	-38.68
CN(CC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1)C1=CC=CC=C1	REAL300020198004	0	48	-1.0	-45.13	377.91	7.73	-37.40
CN(CC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1)C1=CC=CC=C1	REAL300020198004	1	48	-1.0	-45.15	377.98	7.75	-37.40
CN1C=NC2=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=CC=C2C1=O	REAL300020198005	0	38	-1.0	-48.60	316.28	4.24	-44.36
CN1C=NC2=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=CC=C2C1=O	REAL300020198005	1	38	-1.0	-48.59	316.21	4.22	-44.37
CC1=NC2=CC(C(F)(F)F)=NN2C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020198006	0	38	-1.0	-48.84	345.11	4.30	-44.54
CC1=NC2=CC(C(F)(F)F)=NN2C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020198006	1	38	-1.0	-48.88	345.19	4.31	-44.57
COC1=CC([C@@H]2C[C@H]2C(=O)N2CCC(C3=N[N-]N=N3)C2)=C(OC)C=C1C	REAL300020198007	0	48	-1.0	-47.49	386.02	5.47	-42.02
COC1=CC([C@@H]2C[C@H]2C(=O)N2CCC(C3=NN=N[N-]3)C2)=C(OC)C=C1C	REAL300020198007	1	48	-1.0	-47.49	386.10	5.48	-42.01
CC(C)(C)OC(=O)N[C@@H]1[C@H](C(=O)N2CCC(C3=N[N-]N=N3)C2)C1(C)C	REAL300020198008	0	50	-1.0	-43.46	387.34	4.01	-39.45
CC(C)(C)OC(=O)N[C@@H]1[C@H](C(=O)N2CCC(C3=NN=N[N-]3)C2)C1(C)C	REAL300020198008	1	50	-1.0	-43.51	387.42	4.01	-39.50
CC(C)(C)OC(=O)N[C@H](CC(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=CN=C1	REAL300020198009	0	52	-1.0	-49.82	420.29	4.37	-45.45
CC(C)(C)OC(=O)N[C@H](CC(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=CN=C1	REAL300020198009	1	52	-1.0	-49.77	420.22	4.36	-45.41
CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](C(=O)N3CCC(C4=N[N-]N=N4)C3)[C@@H]2C1	REAL300020198010	0	52	-1.0	-53.80	393.80	3.25	-50.55
CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](C(=O)N3CCC(C4=NN=N[N-]4)C3)[C@@H]2C1	REAL300020198010	1	52	-1.0	-53.75	393.87	3.28	-50.47
CN1N=CC=C1C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020198011	0	40	-1.0	-46.22	325.36	4.53	-41.69
CN1N=CC=C1C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020198011	1	40	-1.0	-46.21	325.28	4.52	-41.69
O=C(N1CCC(C2=N[N-]N=N2)C1)C12CCC(C1)S(=O)(=O)CC2	REAL300020198012	0	40	-1.0	-47.05	306.14	0.65	-46.40
O=C(N1CCC(C2=NN=N[N-]2)C1)C12CCC(C1)S(=O)(=O)CC2	REAL300020198012	1	40	-1.0	-47.04	306.21	0.67	-46.37
CC(C)(C)OC(=O)N1CCC(CC(=O)N2CCC(C3=N[N-]N=N3)C2)C(C)(C)C1	REAL300020198013	0	59	-1.0	-44.53	432.41	6.84	-37.69
CC(C)(C)OC(=O)N1CCC(CC(=O)N2CCC(C3=NN=N[N-]3)C2)C(C)(C)C1	REAL300020198013	1	59	-1.0	-44.52	432.49	6.86	-37.66
CC(C)(C)OC(=O)NCC12C3C4C1C1C2C3C41C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020198014	0	54	-1.0	-46.42	421.32	5.49	-40.93
CC(C)(C)OC(=O)NCC12C3C4C1C1C2C3C41C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020198014	1	54	-1.0	-46.42	421.40	5.50	-40.92
CCSC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020198015	0	50	-1.0	-40.23	401.76	3.38	-36.85
CCSC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020198015	1	50	-1.0	-40.19	401.83	3.39	-36.80
O=C(CCC1=C(F)C=CC=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020198016	0	36	-1.0	-44.35	321.51	6.02	-38.33
O=C(CCC1=C(F)C=CC=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020198016	1	36	-1.0	-44.31	321.58	6.03	-38.28
CN1C=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C2=CC(Cl)=CC=C21	REAL300020198017	0	37	-1.0	-51.92	321.47	5.85	-46.07
CN1C=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C2=CC(Cl)=CC=C21	REAL300020198017	1	37	-1.0	-51.89	321.54	5.86	-46.03
[N-]=[N+]=NC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1[O-]	REAL300020198018	0	32	-2.0	-79.53	289.32	-0.54	-80.07
[N-]=[N+]=NC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1[O-]	REAL300020198018	1	32	-2.0	-79.56	289.39	-0.52	-80.08
O=C(C1=CC=C(N2CCNS2(=O)=O)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020198019	0	41	-1.0	-55.75	342.48	-0.35	-56.10
O=C(C1=CC=C(N2CCNS2(=O)=O)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020198019	1	41	-1.0	-55.78	342.55	-0.33	-56.11
[N-]=[N+]=NCC(F)(F)CCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020198020	0	34	-1.0	-42.60	304.75	0.12	-42.48
[N-]=[N+]=NCC(F)(F)CCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020198020	1	34	-1.0	-42.60	304.82	0.13	-42.47
[N-]=[N+]=NCC1=NN2CCCC2=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020198021	0	39	-1.0	-46.81	338.53	-0.23	-47.04
[N-]=[N+]=NCC1=NN2CCCC2=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020198021	1	39	-1.0	-46.85	338.61	-0.22	-47.07
CC(C)(C)OC(=O)N1CCC(N=[N+]=[N-])(C(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020198022	0	52	-1.0	-41.41	398.83	1.89	-39.52
CC(C)(C)OC(=O)N1CCC(N=[N+]=[N-])(C(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020198022	1	52	-1.0	-41.43	398.91	1.91	-39.52
[N-]=[N+]=NC1=CC=CC=C1CCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020198023	0	38	-1.0	-43.86	328.52	3.37	-40.49
[N-]=[N+]=NC1=CC=CC=C1CCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020198023	1	38	-1.0	-43.91	328.59	3.37	-40.54
CC(C)(C)OC(=O)N1C2=CC=CC=C2C[C@H]1CC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020198024	0	54	-1.0	-43.69	421.88	7.60	-36.09
CC(C)(C)OC(=O)N1C2=CC=CC=C2C[C@H]1CC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020198024	1	54	-1.0	-43.70	421.96	7.60	-36.10
CC(C)(C)OC(=O)N1CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)OC(C)(C)C1	REAL300020198025	0	54	-1.0	-43.68	410.07	5.19	-38.49
CC(C)(C)OC(=O)N1CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)OC(C)(C)C1	REAL300020198025	1	54	-1.0	-43.66	410.15	5.21	-38.45
CCC1=CC=CC(CC)=C1CC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020198026	0	45	-1.0	-43.42	349.16	7.01	-36.41
CCC1=CC=CC(CC)=C1CC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020198026	1	45	-1.0	-43.49	349.23	7.03	-36.46
O=C(CC1=CC=CC(OCC2CC2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020198027	0	44	-1.0	-46.07	363.76	6.57	-39.50
O=C(CC1=CC=CC(OCC2CC2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020198027	1	44	-1.0	-46.08	363.84	6.58	-39.50
O=C(C1CC2(CC(OCC3=CC=CC=C3)C2)C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020198028	0	51	-1.0	-45.27	411.55	7.89	-37.38
O=C(C1CC2(CC(OCC3=CC=CC=C3)C2)C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020198028	1	51	-1.0	-45.32	411.62	7.92	-37.40
CC(C)N1C=C(C2CC2C(=O)N2CCC(C3=NN=N[N-]3)C2)C=N1	REAL300020198029	0	43	-1.0	-44.81	352.73	5.29	-39.52
CC(C)N1C=C(C2CC2C(=O)N2CCC(C3=N[N-]N=N3)C2)C=N1	REAL300020198029	1	43	-1.0	-44.78	352.66	5.28	-39.50
O=C(C1=CC=C(OCC(F)F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020198030	0	37	-1.0	-48.86	314.31	4.11	-44.75
O=C(C1=CC=C(OCC(F)F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020198030	1	37	-1.0	-48.87	314.39	4.12	-44.75
CCN1N=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(Cl)=C1Br	REAL300020198031	0	33	-1.0	-42.23	315.82	3.81	-38.42
CCN1N=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(Cl)=C1Br	REAL300020198031	1	33	-1.0	-42.24	315.74	3.80	-38.44
NC(=O)C1=CC(F)=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020198032	0	34	-1.0	-48.93	290.79	0.41	-48.52
NC(=O)C1=CC(F)=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020198032	1	34	-1.0	-48.94	290.86	0.42	-48.52
CN1N=C(Br)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020198033	0	29	-1.0	-41.77	273.14	0.83	-40.94
CN1N=C(Br)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020198033	1	29	-1.0	-41.79	273.06	0.82	-40.97
O=C(C1=CN(C2=CC=CC(Cl)=C2)C(=O)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020198034	0	40	-1.0	-44.02	361.97	6.61	-37.41
O=C(C1=CN(C2=CC=CC(Cl)=C2)C(=O)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020198034	1	40	-1.0	-44.00	362.04	6.62	-37.38
CC(C)(C)OC(=O)N1CC2=C(C1)C(C(=O)N1CCC(C3=N[N-]N=N3)C1)=CO2	REAL300020198035	0	48	-1.0	-50.20	384.90	4.14	-46.06
CC(C)(C)OC(=O)N1CC2=C(C1)C(C(=O)N1CCC(C3=NN=N[N-]3)C1)=CO2	REAL300020198035	1	48	-1.0	-50.16	384.97	4.15	-46.01
CC(C)(C)OC(=O)NC1CCCC2C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C21	REAL300020198036	0	54	-1.0	-45.19	416.42	4.74	-40.45
CC(C)(C)OC(=O)NC1CCCC2C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C21	REAL300020198036	1	54	-1.0	-45.18	416.49	4.75	-40.43
O=C(C1=CC2=CC=CC=C2C([N+](=O)[O-])=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020198037	0	38	-1.0	-48.87	321.17	6.36	-42.51
O=C(C1=CC2=CC=CC=C2C([N+](=O)[O-])=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020198037	1	38	-1.0	-48.91	321.24	6.37	-42.54
O=C(C1CCOC2(CCCCC2)C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020198038	0	47	-1.0	-35.90	346.19	4.95	-30.95
O=C(C1CCOC2(CCCCC2)C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020198038	1	47	-1.0	-35.96	346.26	4.95	-31.01
O=C(CC(C1=CC=C(F)C(F)=C1)C1CC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020198039	0	43	-1.0	-47.80	359.18	7.54	-40.26
O=C(CC(C1=CC=C(F)C(F)=C1)C1CC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020198039	1	43	-1.0	-47.88	359.25	7.56	-40.32
CC(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=CC2=CC=CC=C21	REAL300020198040	0	42	-1.0	-38.68	334.77	7.13	-31.55
CC(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=CC2=CC=CC=C21	REAL300020198040	1	42	-1.0	-38.67	334.84	7.14	-31.53
COC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC(F)=C1F	REAL300020198041	0	34	-1.0	-41.78	292.01	2.99	-38.79
COC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC(F)=C1F	REAL300020198041	1	34	-1.0	-41.81	292.09	3.00	-38.81
COC1=CC2=CC=CN=C2C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020198042	0	39	-1.0	-50.80	323.94	3.65	-47.15
COC1=CC2=CC=CN=C2C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020198042	1	39	-1.0	-50.82	323.86	3.63	-47.19
O=C(C1=CC(C(F)(F)F)=NC=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020198043	0	32	-1.0	-39.18	303.23	3.48	-35.70
O=C(C1=CC(C(F)(F)F)=NC=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020198043	1	32	-1.0	-39.19	303.15	3.47	-35.72
CCN1N=C(Br)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020198044	0	32	-1.0	-41.28	294.95	1.67	-39.61
CCN1N=C(Br)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020198044	1	32	-1.0	-41.28	294.87	1.65	-39.63
CC(C)(C)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(Cl)=N1	REAL300020198045	0	41	-1.0	-44.79	342.85	4.96	-39.83
CC(C)(C)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(Cl)=N1	REAL300020198045	1	41	-1.0	-44.74	342.77	4.95	-39.79
CN1C(=O)NC2(CCC(C(=O)N3CCC(C4=N[N-]N=N4)C3)CC2)C1=O	REAL300020198046	0	45	-1.0	-42.50	352.46	1.58	-40.92
CN1C(=O)NC2(CCC(C(=O)N3CCC(C4=NN=N[N-]4)C3)CC2)C1=O	REAL300020198046	1	45	-1.0	-42.51	352.54	1.60	-40.91
O=C(C1=CC=CC(C2=NNC=C2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020198047	0	37	-1.0	-47.31	308.95	3.60	-43.71
O=C(C1=CC=CC(C2=NNC=C2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020198047	1	37	-1.0	-47.34	309.02	3.61	-43.73
CC1=C2NN=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C2=CC(Br)=C1	REAL300020198048	0	36	-1.0	-44.32	324.68	4.11	-40.21
CC1=C2NN=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C2=CC(Br)=C1	REAL300020198048	1	36	-1.0	-44.31	324.75	4.12	-40.19
CC1=CC(Br)=CC2=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)NN=C21	REAL300020198048	1	36	-1.0	-42.15	320.45	3.98	-38.17
O=C(C1CCC2(CCOCC2)O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020198049	0	42	-1.0	-47.31	325.24	3.10	-44.21
O=C(C1CCC2(CCOCC2)O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020198049	1	42	-1.0	-47.31	325.31	3.12	-44.19
CC1=CC=CC=C1C1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=NO1	REAL300020198050	0	39	-1.0	-40.79	332.01	5.86	-34.93
CC1=CC=CC=C1C1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=NO1	REAL300020198050	1	39	-1.0	-40.75	331.94	5.86	-34.89
CC(F)(F)C1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020198051	0	35	-1.0	-41.20	299.96	4.34	-36.86
CC(F)(F)C1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020198051	1	35	-1.0	-41.20	299.89	4.33	-36.87
CC(C)(C)OC(=O)N1[C@H]2C[C@H](C[C@@H]2O)[C@H]1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020198052	0	52	-1.0	-50.94	402.16	2.27	-48.67
CC(C)(C)OC(=O)N1[C@H]2C[C@H](C[C@@H]2O)[C@H]1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020198052	1	52	-1.0	-50.90	402.23	2.28	-48.62
CC(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1Cl	REAL300020198053	0	36	-1.0	-41.40	309.15	5.59	-35.81
CC(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1Cl	REAL300020198053	1	36	-1.0	-41.41	309.22	5.60	-35.81
O=C(C1=CC=CC(CC2=CC=CC=N2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020198054	0	42	-1.0	-50.01	347.05	6.22	-43.79
O=C(C1=CC=CC(CC2=CC=CC=N2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020198054	1	42	-1.0	-50.01	347.12	6.22	-43.79
O=C(C1=COC2=C(F)C=C(Cl)C=C12)N1CCC(C2=N[N-]N=N2)C1	REAL300020198055	0	33	-1.0	-44.05	301.92	4.64	-39.41
O=C(C1=COC2=C(F)C=C(Cl)C=C12)N1CCC(C2=NN=N[N-]2)C1	REAL300020198055	1	33	-1.0	-44.08	301.99	4.65	-39.43
O=C(C1CCC2(CC1)NC(=O)NC2=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020198056	0	42	-1.0	-52.32	332.01	-0.73	-53.05
O=C(C1CCC2(CC1)NC(=O)NC2=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020198056	1	42	-1.0	-52.34	332.08	-0.72	-53.06
O=C(C1=C(I)C=CS1)N1CCC(C2=N[N-]N=N2)C1	REAL300020198057	0	27	-1.0	-41.64	265.74	3.83	-37.81
O=C(C1=C(I)C=CS1)N1CCC(C2=NN=N[N-]2)C1	REAL300020198057	1	27	-1.0	-41.65	265.81	3.84	-37.81
CCCN1C=C(Cl)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020198058	0	36	-1.0	-45.59	316.72	4.14	-41.45
CCCN1C=C(Cl)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020198058	1	36	-1.0	-45.59	316.65	4.12	-41.47
CC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C(Cl)N=C1C	REAL300020198059	0	35	-1.0	-45.13	302.20	3.51	-41.62
CC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C(Cl)N=C1C	REAL300020198059	1	35	-1.0	-45.19	302.27	3.52	-41.67
COC(=O)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1C(F)(F)F	REAL300020198060	0	39	-1.0	-42.74	334.90	5.00	-37.74
COC(=O)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1C(F)(F)F	REAL300020198060	1	39	-1.0	-42.75	334.98	5.02	-37.73
COC(=O)C1=NNC2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=C21	REAL300020198061	0	39	-1.0	-47.01	335.76	3.06	-43.95
COC(=O)C1=NNC2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=C21	REAL300020198061	1	39	-1.0	-47.01	335.83	3.06	-43.95
CC(C)(C)C1CCNC2=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=NN21	REAL300020198062	0	48	-1.0	-45.96	359.42	4.02	-41.94
CC(C)(C)C1CCNC2=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=NN21	REAL300020198062	1	48	-1.0	-45.93	359.34	4.02	-41.91
CNC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)SC2=NC=CN=C21	REAL300020198063	0	36	-1.0	-45.71	311.77	0.49	-45.22
CNC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)SC2=NC=CN=C21	REAL300020198063	1	36	-1.0	-45.67	311.70	0.48	-45.19
CC1=NN=C2SC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C(N)C2=C1C	REAL300020198064	0	39	-1.0	-44.71	322.14	1.68	-43.03
CC1=NN=C2SC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C(N)C2=C1C	REAL300020198064	1	39	-1.0	-44.69	322.22	1.69	-43.00
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(C2=CC=C(C)C=C2)=NO1	REAL300020198065	0	42	-1.0	-43.12	354.52	6.67	-36.45
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(C2=CC=C(C)C=C2)=NO1	REAL300020198065	1	42	-1.0	-43.09	354.44	6.67	-36.42
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(C2=NC=CC=C2F)CC1	REAL300020198066	0	36	-1.0	-46.17	308.03	4.14	-42.03
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(C2=NC=CC=C2F)CC1	REAL300020198066	1	36	-1.0	-46.14	307.96	4.12	-42.02
NC(=O)C1=CC=C(F)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020198067	0	34	-1.0	-51.91	294.28	0.59	-51.32
NC(=O)C1=CC=C(F)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020198067	1	34	-1.0	-51.92	294.35	0.59	-51.33
O=C(C(C1=CC=C(F)C=C1)C1CC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020198068	0	40	-1.0	-43.24	335.11	6.71	-36.53
O=C(C(C1=CC=C(F)C=C1)C1CC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020198068	1	40	-1.0	-43.25	335.18	6.72	-36.53
CC(C)(C)OC(=O)N1CC(N=[N+]=[N-])(C(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020198069	0	46	-1.0	-40.40	376.04	-0.07	-40.47
CC(C)(C)OC(=O)N1CC(N=[N+]=[N-])(C(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020198069	1	46	-1.0	-40.42	376.11	-0.07	-40.49
[N-]=[N+]=NC12CCC(C(=O)N3CCC(C4=N[N-]N=N4)C3)(CC1)C2	REAL300020198070	0	39	-1.0	-40.17	306.71	0.76	-39.41
[N-]=[N+]=NC12CCC(C(=O)N3CCC(C4=NN=N[N-]4)C3)(CC1)C2	REAL300020198070	1	39	-1.0	-40.20	306.78	0.77	-39.43
CC(C)(C)OC(=O)N1CCC(N=[N+]=[N-])(C(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020198071	0	49	-1.0	-41.29	385.71	0.80	-40.49
CC(C)(C)OC(=O)N1CCC(N=[N+]=[N-])(C(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020198071	1	49	-1.0	-41.34	385.78	0.81	-40.53
O=C(C1=NOC(C2=CC=C3OCOC3=C2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020198072	0	39	-1.0	-42.46	337.88	3.90	-38.56
O=C(C1=NOC(C2=CC=C3OCOC3=C2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020198072	1	39	-1.0	-42.49	337.81	3.89	-38.60
CC1=CC(C(F)(F)C(=O)N2CCC(C3=N[N-]N=N3)C2)=CS1	REAL300020198073	0	33	-1.0	-38.68	299.85	4.44	-34.24
CC1=CC(C(F)(F)C(=O)N2CCC(C3=NN=N[N-]3)C2)=CS1	REAL300020198073	1	33	-1.0	-38.70	299.92	4.46	-34.24
CC(C)(C)OC(=O)N1C[C@@H](N=[N+]=[N-])C[C@H]1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020198074	0	49	-1.0	-52.58	398.17	0.95	-51.63
CC(C)(C)OC(=O)N1C[C@@H](N=[N+]=[N-])C[C@H]1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020198074	1	49	-1.0	-52.59	398.24	0.96	-51.63
CC(C)(C)OC(=O)N1C[C@H](N=[N+]=[N-])C[C@H]1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020198075	0	49	-1.0	-52.43	393.01	1.46	-50.97
CC(C)(C)OC(=O)N1C[C@H](N=[N+]=[N-])C[C@H]1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020198075	1	49	-1.0	-52.46	393.08	1.46	-51.00
CC1=NN(CC(F)(F)F)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020198076	0	36	-1.0	-42.65	312.33	3.34	-39.31
CC1=NN(CC(F)(F)F)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020198076	1	36	-1.0	-42.65	312.40	3.34	-39.31
[N-]=[N+]=NCCCCCCCCCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020198077	0	49	-1.0	-44.52	401.35	3.89	-40.63
[N-]=[N+]=NCCCCCCCCCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020198077	1	49	-1.0	-44.52	401.42	3.90	-40.62
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C(Cl)N=C1Cl	REAL300020198078	0	32	-1.0	-38.40	298.55	3.34	-35.06
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C(Cl)N=C1Cl	REAL300020198078	1	32	-1.0	-38.40	298.47	3.34	-35.06
CC1=C(C)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C(N2C=NN=N2)S1	REAL300020198079	0	38	-1.0	-54.11	339.07	4.58	-49.53
CC1=C(C)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C(N2C=NN=N2)S1	REAL300020198079	1	38	-1.0	-54.10	339.00	4.57	-49.53
CC12CC3(C)CC(F)(C1)CC(C(=O)N1CCC(C4=N[N-]N=N4)C1)(C2)C3	REAL300020198080	0	50	-1.0	-44.28	356.65	6.44	-37.84
CC12CC3(C)CC(F)(C1)CC(C(=O)N1CCC(C4=NN=N[N-]4)C1)(C2)C3	REAL300020198080	1	50	-1.0	-44.26	356.72	6.44	-37.82
COC1=NC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(C(F)(F)F)=N1	REAL300020198081	0	35	-1.0	-42.29	310.24	-0.52	-42.81
COC1=NC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(C(F)(F)F)=N1	REAL300020198081	1	35	-1.0	-42.28	310.17	-0.53	-42.81
O=C(C1=C([N+](=O)[O-])C=NN1CC(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020198082	0	35	-1.0	-45.05	324.90	3.46	-41.59
O=C(C1=C([N+](=O)[O-])C=NN1CC(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020198082	1	35	-1.0	-45.02	324.83	3.44	-41.58
O=C(C1=CC=C(CN2CCOCC2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020198083	0	46	-1.0	-43.90	362.83	2.79	-41.11
O=C(C1=CC=C(CN2CCOCC2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020198083	1	46	-1.0	-43.97	362.91	2.80	-41.17
O=C(CC1CC[NH+](CC2=CC=CC=C2)CC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020198084	0	52	0.0	-64.41	396.00	8.46	-55.95
O=C(CC1CC[NH+](CC2=CC=CC=C2)CC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020198084	1	52	0.0	-64.43	396.07	8.46	-55.97
CC1CN(CC2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2)CCO1	REAL300020198085	0	49	-1.0	-44.35	379.18	3.20	-41.15
CC1CN(CC2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2)CCO1	REAL300020198085	1	49	-1.0	-44.39	379.26	3.21	-41.18
CC1C[N@H+](CC2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2)CCO1	REAL300020198085	1	50	0.0	-76.23	382.44	5.68	-70.55
CC1C[N@@H+](CC2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2)CCO1	REAL300020198085	1	50	0.0	-76.41	382.62	5.69	-70.72
CCNC(=O)N1CCC(C(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020198086	0	45	-1.0	-41.29	350.50	2.69	-38.60
CCNC(=O)N1CCC(C(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020198086	1	45	-1.0	-41.29	350.57	2.70	-38.59
COC1=CC([C@@H](C)CC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1C	REAL300020198087	0	46	-1.0	-43.64	365.14	6.03	-37.61
COC1=CC([C@@H](C)CC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1C	REAL300020198087	1	46	-1.0	-43.58	365.22	6.04	-37.54
O=C(C=CC1=CC=C2CCOCC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020198088	0	42	-1.0	-44.89	343.61	5.31	-39.58
O=C(C=CC1=CC=C2CCOCC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020198088	1	42	-1.0	-44.93	343.68	5.32	-39.61
CC(C)CN1N=CC=C1[C@@H]1C[C@H]1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020198089	0	46	-1.0	-44.00	373.16	6.15	-37.85
CC(C)CN1N=CC=C1[C@@H]1C[C@H]1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020198089	1	46	-1.0	-44.02	373.23	6.16	-37.86
CC(C)CN1C=C([C@@H]2C[C@H]2C(=O)N2CCC(C3=NN=N[N-]3)C2)C=N1	REAL300020198090	0	46	-1.0	-44.33	370.94	6.34	-37.99
CC(C)CN1C=C([C@@H]2C[C@H]2C(=O)N2CCC(C3=N[N-]N=N3)C2)C=N1	REAL300020198090	1	46	-1.0	-44.33	370.87	6.33	-38.00
O=C([C@@H]1C[C@H]1C1=CN(C2=CC=CC=C2)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020198091	0	44	-1.0	-46.48	368.54	7.31	-39.17
O=C([C@@H]1C[C@H]1C1=CN(C2=CC=CC=C2)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020198091	1	44	-1.0	-46.44	368.46	7.29	-39.15
CN(C)C(=O)SC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=CC2=CC=CC=C21	REAL300020198092	0	47	-1.0	-50.07	396.27	6.49	-43.58
CN(C)C(=O)SC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=CC2=CC=CC=C21	REAL300020198092	1	47	-1.0	-50.09	396.34	6.51	-43.58
CC(C)(C(=O)N1CCC(C2=N[N-]N=N2)C1)N1C=CC(C2CC2)=N1	REAL300020198093	0	43	-1.0	-46.61	339.90	5.48	-41.13
CC(C)(C(=O)N1CCC(C2=NN=N[N-]2)C1)N1C=CC(C2CC2)=N1	REAL300020198093	1	43	-1.0	-46.60	339.98	5.49	-41.11
O=C(C1CC2CCCCCCC21)N1CCC(C2=N[N-]N=N2)C1	REAL300020198094	0	46	-1.0	-42.68	328.08	6.24	-36.44
O=C(C1CC2CCCCCCC21)N1CCC(C2=NN=N[N-]2)C1	REAL300020198094	1	46	-1.0	-42.73	328.15	6.27	-36.46
CC(C)(C)OC(=O)N1CCC(C(=O)N2CCC(C3=N[N-]N=N3)C2)C1(C)C	REAL300020198095	0	53	-1.0	-46.43	395.85	5.01	-41.42
CC(C)(C)OC(=O)N1CCC(C(=O)N2CCC(C3=NN=N[N-]3)C2)C1(C)C	REAL300020198095	1	53	-1.0	-46.47	395.92	5.03	-41.44
O=C(C1=NN(C2=CC=C(OC(F)(F)F)C=C2)N=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020198096	0	39	-1.0	-40.75	352.24	3.21	-37.54
O=C(C1=NN(C2=CC=C(OC(F)(F)F)C=C2)N=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020198096	1	39	-1.0	-40.80	352.17	3.19	-37.61
CC(C)(C)OC(=O)N1CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)OCC1(C)C	REAL300020198097	0	54	-1.0	-43.50	405.65	4.73	-38.77
CC(C)(C)OC(=O)N1CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)OCC1(C)C	REAL300020198097	1	54	-1.0	-43.50	405.73	4.73	-38.77
CC(C)(C)OC(=O)C1CC12CCC(C(=O)N1CCC(C3=N[N-]N=N3)C1)C2	REAL300020198098	0	52	-1.0	-47.83	400.32	7.48	-40.35
CC(C)(C)OC(=O)C1CC12CCC(C(=O)N1CCC(C3=NN=N[N-]3)C1)C2	REAL300020198098	1	52	-1.0	-47.82	400.40	7.49	-40.33
O=C(CCC(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=C(Br)S1	REAL300020198099	0	35	-1.0	-41.58	334.85	5.22	-36.36
O=C(CCC(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=C(Br)S1	REAL300020198099	1	35	-1.0	-41.61	334.93	5.22	-36.39
O=C(C1=CC(C(F)(F)F)=CN=C1N1CCOCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020198100	0	45	-1.0	-41.22	377.01	3.35	-37.87
O=C(C1=CC(C(F)(F)F)=CN=C1N1CCOCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020198100	1	45	-1.0	-41.24	376.93	3.34	-37.90
CC1=NC2=C(C#N)C=NN2C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020198101	0	36	-1.0	-43.52	322.88	3.82	-39.70
CC1=NC2=C(C#N)C=NN2C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020198101	1	36	-1.0	-43.51	322.96	3.84	-39.67
CC(C)CC1=NC=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020198102	0	40	-1.0	-40.40	327.32	4.47	-35.93
CC(C)CC1=NC=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020198102	1	40	-1.0	-40.40	327.39	4.47	-35.93
O=C(N1CCC(C2=N[N-]N=N2)C1)C12CC3CC(CC(C3)O1)C2	REAL300020198103	0	42	-1.0	-42.60	309.22	4.16	-38.44
O=C(N1CCC(C2=NN=N[N-]2)C1)C12CC3CC(CC(C3)O1)C2	REAL300020198103	1	42	-1.0	-42.60	309.29	4.16	-38.44
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(C2=CC=CS2)CCOCC1	REAL300020198104	0	41	-1.0	-40.76	323.33	3.75	-37.01
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(C2=CC=CS2)CCOCC1	REAL300020198104	1	41	-1.0	-40.76	323.40	3.75	-37.01
CC1=CC=C(C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C2CC2)C=C1	REAL300020198105	0	43	-1.0	-43.84	350.97	7.32	-36.52
CC1=CC=C(C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C2CC2)C=C1	REAL300020198105	1	43	-1.0	-43.83	351.05	7.33	-36.50
CN1C=C(Br)C(OCC(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020198106	0	34	-1.0	-49.53	317.16	1.77	-47.76
CN1C=C(Br)C(OCC(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020198106	1	34	-1.0	-49.54	317.09	1.75	-47.79
CC(C)(C)OC(=O)NCCC1(C(=O)N2CCC(C3=N[N-]N=N3)C2)CCC1	REAL300020198107	0	53	-1.0	-51.88	404.03	3.53	-48.35
CC(C)(C)OC(=O)NCCC1(C(=O)N2CCC(C3=NN=N[N-]3)C2)CCC1	REAL300020198107	1	53	-1.0	-51.84	404.10	3.54	-48.30
CC(C)(C)OC(=O)NCC1(C(=O)N2CCC(C3=N[N-]N=N3)C2)CC=CC1	REAL300020198108	0	51	-1.0	-44.49	389.20	3.49	-41.00
CC(C)(C)OC(=O)NCC1(C(=O)N2CCC(C3=NN=N[N-]3)C2)CC=CC1	REAL300020198108	1	51	-1.0	-44.43	389.28	3.51	-40.92
O=C(C1=NN2C=CC=NC2=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020198109	0	32	-1.0	-50.49	293.77	3.51	-46.98
O=C(C1=NN2C=CC=NC2=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020198109	1	32	-1.0	-50.49	293.70	3.50	-46.99
CC(C)(C)OC(=O)NC(CCC1=CNN=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020198110	0	53	-1.0	-44.17	419.33	2.32	-41.85
CC(C)(C)OC(=O)NC(CCC1=CNN=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020198110	1	53	-1.0	-44.24	419.41	2.34	-41.90
CCC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)N2C=CC=CC2=N1	REAL300020198111	0	39	-1.0	-45.47	329.35	5.60	-39.87
CCC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)N2C=CC=CC2=N1	REAL300020198111	1	39	-1.0	-45.45	329.42	5.60	-39.85
CC1=CC(F)=CC=C1C1(C(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020198112	0	40	-1.0	-42.83	323.99	6.23	-36.60
CC1=CC(F)=CC=C1C1(C(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020198112	1	40	-1.0	-42.87	324.06	6.23	-36.64
CC1=CC=C(F)C=C1C1(C(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020198113	0	40	-1.0	-41.40	327.97	6.20	-35.20
CC1=CC=C(F)C=C1C1(C(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020198113	1	40	-1.0	-41.39	328.04	6.20	-35.19
CC(C)(C)OC(=O)N1CC2CC(C1)C(C(=O)N1CCC(C3=N[N-]N=N3)C1)C2	REAL300020198114	0	54	-1.0	-53.20	384.93	7.26	-45.94
CC(C)(C)OC(=O)N1CC2CC(C1)C(C(=O)N1CCC(C3=NN=N[N-]3)C1)C2	REAL300020198114	1	54	-1.0	-53.16	385.00	7.27	-45.89
CC(C)(C)OC(=O)N1CCC(C(=O)N2CCC(C3=N[N-]N=N3)C2)C12CC2	REAL300020198115	0	51	-1.0	-46.35	389.86	4.91	-41.44
CC(C)(C)OC(=O)N1CCC(C(=O)N2CCC(C3=NN=N[N-]3)C2)C12CC2	REAL300020198115	1	51	-1.0	-46.38	389.93	4.92	-41.46
CC(C)(C)OC(=O)N1CCC2=NC=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C2C1	REAL300020198116	0	53	-1.0	-49.96	412.03	4.99	-44.97
CC(C)(C)OC(=O)N1CCC2=NC=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C2C1	REAL300020198116	1	53	-1.0	-50.01	412.10	5.00	-45.01
CC(C)(C)OC(=O)NC[C@@]1(F)C[C@H](C(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020198117	0	50	-1.0	-50.32	397.30	3.51	-46.81
CC(C)(C)OC(=O)NC[C@@]1(F)C[C@H](C(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020198117	1	50	-1.0	-50.34	397.37	3.52	-46.82
CC(C)(C)OC(=O)NC(CC1OCCO1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020198118	0	52	-1.0	-39.15	403.84	1.30	-37.85
CC(C)(C)OC(=O)NC(CC1OCCO1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020198118	1	52	-1.0	-39.11	403.91	1.32	-37.79
CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020198119	0	56	-1.0	-44.26	419.31	5.56	-38.70
CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020198119	1	56	-1.0	-44.25	419.38	5.57	-38.68
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(C2=CC=C([N+](=O)[O-])C=C2)CC1	REAL300020198120	0	39	-1.0	-47.57	333.08	6.31	-41.26
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(C2=CC=C([N+](=O)[O-])C=C2)CC1	REAL300020198120	1	39	-1.0	-47.54	333.16	6.34	-41.20
COC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C2=CC=CN=C2C=C1	REAL300020198121	0	39	-1.0	-47.37	329.28	3.58	-43.79
COC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C2=CC=CN=C2C=C1	REAL300020198121	1	39	-1.0	-47.40	329.21	3.57	-43.83
CC(C)C1=NN(C2=CC=C(F)C=C2)C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020198122	0	46	-1.0	-44.85	376.90	6.78	-38.07
CC(C)C1=NN(C2=CC=C(F)C=C2)C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020198122	1	46	-1.0	-44.91	376.97	6.78	-38.13
CC(C)(C)OC(=O)NC[C@@]1(F)C[C@@H](C(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020198123	0	50	-1.0	-45.13	400.68	3.55	-41.58
CC(C)(C)OC(=O)NC[C@@]1(F)C[C@@H](C(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020198123	1	50	-1.0	-45.14	400.75	3.55	-41.59
CC(C)(C)OC(=O)N1CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)OCC12CCC2	REAL300020198124	0	55	-1.0	-43.61	411.31	4.97	-38.64
CC(C)(C)OC(=O)N1CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)OCC12CCC2	REAL300020198124	1	55	-1.0	-43.58	411.39	4.99	-38.59
CC(C)(C)OC(=O)N[C@@H]1C[C@]2(C(=O)N3CCC(C4=N[N-]N=N4)C3)C[C@H]12	REAL300020198125	0	48	-1.0	-45.68	382.51	3.43	-42.25
CC(C)(C)OC(=O)N[C@@H]1C[C@]2(C(=O)N3CCC(C4=NN=N[N-]4)C3)C[C@H]12	REAL300020198125	1	48	-1.0	-45.71	382.59	3.43	-42.28
CC(C)(C)OC(=O)NCC1=C(F)C=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020198126	0	50	-1.0	-50.38	403.16	4.50	-45.88
CC(C)(C)OC(=O)NCC1=C(F)C=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020198126	1	50	-1.0	-50.36	403.23	4.50	-45.86
O=C(C1=C(C2=CC=CC=C2)N=C(C(F)(F)F)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020198127	0	39	-1.0	-40.27	352.54	5.51	-34.76
O=C(C1=C(C2=CC=CC=C2)N=C(C(F)(F)F)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020198127	1	39	-1.0	-40.26	352.46	5.51	-34.75
COC(=O)[C@@H]1C[C@@]1(C(=O)N1CCC(C2=N[N-]N=N2)C1)C(C)C	REAL300020198128	0	42	-1.0	-51.54	331.69	4.86	-46.68
COC(=O)[C@@H]1C[C@@]1(C(=O)N1CCC(C2=NN=N[N-]2)C1)C(C)C	REAL300020198128	1	42	-1.0	-51.57	331.76	4.87	-46.70
O=C(C1=C2C=CC=CN2C(Br)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020198129	0	33	-1.0	-47.05	302.84	5.48	-41.57
O=C(C1=C2C=CC=CN2C(Br)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020198129	1	33	-1.0	-47.06	302.77	5.46	-41.60
CC(C)(C)OC(=O)N1CC(C2=NOC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C2)C1	REAL300020198130	0	50	-1.0	-43.33	406.67	4.21	-39.12
CC(C)(C)OC(=O)N1CC(C2=NOC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C2)C1	REAL300020198130	1	50	-1.0	-43.36	406.74	4.21	-39.15
CC(C)(C)OC(=O)N1CC2(C[C@H]1C(=O)N1CCC(C3=N[N-]N=N3)C1)OCCO2	REAL300020198131	0	53	-1.0	-51.30	416.34	3.10	-48.20
CC(C)(C)OC(=O)N1CC2(C[C@H]1C(=O)N1CCC(C3=NN=N[N-]3)C1)OCCO2	REAL300020198131	1	53	-1.0	-51.26	416.41	3.10	-48.16
CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2CC[C@@]1(C(=O)N1CCC(C3=N[N-]N=N3)C1)C2	REAL300020198132	0	54	-1.0	-43.57	397.34	5.00	-38.57
CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2CC[C@@]1(C(=O)N1CCC(C3=NN=N[N-]3)C1)C2	REAL300020198132	1	54	-1.0	-43.56	397.41	5.02	-38.54
CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCC(C3=N[N-]N=N3)C2)C[C@H]1C1=CC=CC=C1	REAL300020198133	0	54	-1.0	-52.36	427.97	5.64	-46.72
CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCC(C3=NN=N[N-]3)C2)C[C@H]1C1=CC=CC=C1	REAL300020198133	1	54	-1.0	-52.36	428.05	5.65	-46.71
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(C2=CC=C(Cl)C=C2)CC(F)(F)C1	REAL300020198134	0	40	-1.0	-44.71	342.52	6.55	-38.16
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(C2=CC=C(Cl)C=C2)CC(F)(F)C1	REAL300020198134	1	40	-1.0	-44.77	342.59	6.55	-38.22
CS(=O)(=O)C1=CC=CC(C2(C(=O)N3CCC(C4=N[N-]N=N4)C3)CCCC2)=C1	REAL300020198135	0	49	-1.0	-57.02	385.29	3.82	-53.20
CS(=O)(=O)C1=CC=CC(C2(C(=O)N3CCC(C4=NN=N[N-]4)C3)CCCC2)=C1	REAL300020198135	1	49	-1.0	-57.04	385.36	3.83	-53.21
O=C(CC1=CC=C(Br)C(Cl)=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020198136	0	33	-1.0	-45.64	321.75	5.88	-39.76
O=C(CC1=CC=C(Br)C(Cl)=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020198136	1	33	-1.0	-45.63	321.83	5.88	-39.75
COCCN1C=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C1=O	REAL300020198137	0	40	-1.0	-64.92	337.72	3.29	-61.63
COCCN1C=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C1=O	REAL300020198137	1	40	-1.0	-64.92	337.80	3.30	-61.62
O=C(C1=C2NC(=O)CCC2=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020198138	0	38	-1.0	-50.64	310.98	3.18	-47.46
O=C(C1=C2NC(=O)CCC2=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020198138	1	38	-1.0	-50.61	311.05	3.18	-47.43
O=C(C1=NN(CC(F)(F)F)C=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020198139	0	33	-1.0	-49.05	313.19	3.87	-45.18
O=C(C1=NN(CC(F)(F)F)C=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020198139	1	33	-1.0	-49.04	313.12	3.86	-45.18
CC1=CC=C(F)C=C1C(F)(F)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020198141	0	36	-1.0	-39.68	307.84	5.11	-34.57
CC1=CC=C(F)C=C1C(F)(F)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020198141	1	36	-1.0	-39.66	307.92	5.12	-34.54
O=C(C1=CC=CN(C2CCC2)C1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020198142	0	40	-1.0	-60.68	328.64	4.62	-56.06
O=C(C1=CC=CN(C2CCC2)C1=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020198142	1	40	-1.0	-60.67	328.71	4.63	-56.04
O=C(C1=NN(CC(F)F)C=C1[N+](=O)[O-])N1CCC(C2=NN=N[N-]2)C1	REAL300020198143	0	35	-1.0	-54.83	315.77	4.80	-50.03
O=C(C1=NN(CC(F)F)C=C1[N+](=O)[O-])N1CCC(C2=N[N-]N=N2)C1	REAL300020198143	1	35	-1.0	-54.84	315.70	4.80	-50.04
O=C(N1CCC(C2=N[N-]N=N2)C1)C(F)(F)C1=CC(F)=CC=C1F	REAL300020198144	0	33	-1.0	-39.91	297.96	4.74	-35.17
O=C(N1CCC(C2=NN=N[N-]2)C1)C(F)(F)C1=CC(F)=CC=C1F	REAL300020198144	1	33	-1.0	-39.90	298.04	4.75	-35.15
O=C(N1CCC(C2=N[N-]N=N2)C1)C(F)(F)C1=CC=CC(F)=C1F	REAL300020198145	0	33	-1.0	-43.99	297.98	4.73	-39.26
O=C(N1CCC(C2=NN=N[N-]2)C1)C(F)(F)C1=CC=CC(F)=C1F	REAL300020198145	1	33	-1.0	-44.00	298.06	4.74	-39.26
CCC1=CC=CC=C1C(F)(F)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020198146	0	39	-1.0	-39.55	318.68	5.78	-33.77
CCC1=CC=CC=C1C(F)(F)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020198146	1	39	-1.0	-39.51	318.76	5.78	-33.73
O=C(CC(C1=CC=CC=C1)N1C=NN=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020198147	0	41	-1.0	-54.39	340.34	5.16	-49.23
O=C(CC(C1=CC=CC=C1)N1C=NN=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020198147	1	41	-1.0	-54.36	340.27	5.15	-49.21
CN1C2=C(CCCC1=O)OC=C2C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020198148	0	41	-1.0	-49.46	324.11	3.30	-46.16
CN1C2=C(CCCC1=O)OC=C2C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020198148	1	41	-1.0	-49.49	324.18	3.31	-46.18
CC(C1=CC=C(F)C=C1)N1CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)CC1=O	REAL300020198149	0	47	-1.0	-45.87	378.31	6.39	-39.48
CC(C1=CC=C(F)C=C1)N1CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)CC1=O	REAL300020198149	1	47	-1.0	-45.89	378.39	6.41	-39.48
O=C(C1=CC2=CC=C(Cl)N=C2S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020198150	0	32	-1.0	-42.09	300.95	3.70	-38.39
O=C(C1=CC2=CC=C(Cl)N=C2S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020198150	1	32	-1.0	-42.11	300.88	3.69	-38.42
COC1=C2NC=C(CC(=O)N3CCC(C4=N[N-]N=N4)C3)C2=CC=C1	REAL300020198151	0	41	-1.0	-48.92	342.15	4.11	-44.81
COC1=C2NC=C(CC(=O)N3CCC(C4=NN=N[N-]4)C3)C2=CC=C1	REAL300020198151	1	41	-1.0	-48.94	342.23	4.12	-44.82
O=C(C1=CC2=C(Cl)C=C(F)C=C2N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020198152	0	34	-1.0	-40.71	307.28	4.66	-36.05
O=C(C1=CC2=C(Cl)C=C(F)C=C2N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020198152	1	34	-1.0	-40.73	307.36	4.67	-36.06
COC(=O)C1=CC=C(CC(=O)N2CCC(C3=N[N-]N=N3)C2)C(C)=C1	REAL300020198153	0	42	-1.0	-47.49	352.28	5.90	-41.59
COC(=O)C1=CC=C(CC(=O)N2CCC(C3=NN=N[N-]3)C2)C(C)=C1	REAL300020198153	1	42	-1.0	-47.55	352.35	5.92	-41.63
O=C(C1=CC2=C(COCC2)N=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020198154	0	37	-1.0	-44.36	317.49	2.40	-41.96
O=C(C1=CC2=C(COCC2)N=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020198154	1	37	-1.0	-44.31	317.56	2.40	-41.91
CC1=C(Br)C(=O)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CN1C	REAL300020198155	0	36	-1.0	-63.45	320.89	4.16	-59.29
CC1=C(Br)C(=O)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CN1C	REAL300020198155	1	36	-1.0	-63.46	320.96	4.16	-59.30
O=C(C1CC2=CC(C(F)(F)F)=CC=C2C(=O)O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020198156	0	40	-1.0	-47.51	349.36	6.63	-40.88
O=C(C1CC2=CC(C(F)(F)F)=CC=C2C(=O)O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020198156	1	40	-1.0	-47.49	349.43	6.64	-40.85
CS(C)(=O)=NC1=CC=NC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020198157	0	39	-1.0	-59.27	330.47	1.06	-58.21
CS(C)(=O)=NC1=CC=NC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020198157	1	39	-1.0	-59.28	330.55	1.07	-58.21
O=C(C1=CC2=C(Br)C=CC(F)=C2N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020198158	0	34	-1.0	-41.09	311.74	4.76	-36.33
O=C(C1=CC2=C(Br)C=CC(F)=C2N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020198158	1	34	-1.0	-41.10	311.81	4.76	-36.34
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)NC2=CC=C(C3=CC=CC=C3)C=C21	REAL300020198159	0	47	-1.0	-43.23	376.08	8.18	-35.05
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)NC2=CC=C(C3=CC=CC=C3)C=C21	REAL300020198159	1	47	-1.0	-43.25	376.15	8.19	-35.06
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)NC2=C1CCCC2	REAL300020198160	0	41	-1.0	-43.68	318.98	5.02	-38.66
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)NC2=C1CCCC2	REAL300020198160	1	41	-1.0	-43.69	319.05	5.03	-38.66
O=C(C1=CC(CC2CCC2)=CN1)N1CCC(C2=N[N-]N=N2)C1	REAL300020198161	0	41	-1.0	-44.55	329.29	5.49	-39.06
O=C(C1=CC(CC2CCC2)=CN1)N1CCC(C2=NN=N[N-]2)C1	REAL300020198161	1	41	-1.0	-44.54	329.36	5.50	-39.04
COC(=O)C1=CSC(CC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020198162	0	36	-1.0	-47.86	327.14	4.55	-43.31
COC(=O)C1=CSC(CC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020198162	1	36	-1.0	-47.89	327.22	4.57	-43.32
COC(=O)C1=CC=C(CC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1F	REAL300020198163	0	39	-1.0	-49.97	340.09	5.45	-44.52
COC(=O)C1=CC=C(CC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1F	REAL300020198163	1	39	-1.0	-50.01	340.17	5.47	-44.54
C[C@H]1C(=O)N(CC(=O)N2CCC(C3=N[N-]N=N3)C2)C(=O)[C@H]1C	REAL300020198164	0	39	-1.0	-50.05	321.99	2.82	-47.23
C[C@H]1C(=O)N(CC(=O)N2CCC(C3=NN=N[N-]3)C2)C(=O)[C@H]1C	REAL300020198164	1	39	-1.0	-50.03	322.07	2.82	-47.21
C[C@@H](C1=CC=C(F)C=C1)N1CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)CC1=O	REAL300020198165	0	47	-1.0	-45.96	379.18	6.42	-39.54
C[C@@H](C1=CC=C(F)C=C1)N1CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)CC1=O	REAL300020198165	1	47	-1.0	-46.02	379.25	6.42	-39.60
O=C(C1CCC2(CNC(=O)C2)CC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020198166	0	44	-1.0	-47.66	338.04	2.01	-45.65
O=C(C1CCC2(CNC(=O)C2)CC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020198166	1	44	-1.0	-47.65	338.11	2.01	-45.64
COC(=O)C1=C2CCCCC2=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020198167	0	43	-1.0	-40.67	354.03	5.91	-34.76
COC(=O)C1=C2CCCCC2=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020198167	1	43	-1.0	-40.68	354.10	5.92	-34.76
O=C(C1CC(C2CCOCC2)=NO1)N1CCC(C2=N[N-]N=N2)C1	REAL300020198168	0	42	-1.0	-51.04	336.94	3.24	-47.80
O=C(C1CC(C2CCOCC2)=NO1)N1CCC(C2=NN=N[N-]2)C1	REAL300020198168	1	42	-1.0	-51.05	337.02	3.25	-47.80
O=C(C1CC(CC2=CC=CC=C2)=NO1)N1CCC(C2=N[N-]N=N2)C1	REAL300020198169	0	41	-1.0	-51.47	343.63	6.16	-45.31
O=C(C1CC(CC2=CC=CC=C2)=NO1)N1CCC(C2=NN=N[N-]2)C1	REAL300020198169	1	41	-1.0	-51.50	343.70	6.19	-45.31
CC(C)CC1=CC=C2C(N)=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)SC2=N1	REAL300020198170	0	46	-1.0	-44.69	375.76	4.11	-40.58
CC(C)CC1=CC=C2C(N)=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)SC2=N1	REAL300020198170	1	46	-1.0	-44.72	375.83	4.13	-40.59
C[C@H](C1=CC=C(F)C=C1)N1CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)CC1=O	REAL300020198171	0	47	-1.0	-52.27	382.53	6.44	-45.83
C[C@H](C1=CC=C(F)C=C1)N1CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)CC1=O	REAL300020198171	1	47	-1.0	-52.26	382.61	6.45	-45.81
O=C(C1=C2NC(=O)COC2=CC(Br)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020198172	0	36	-1.0	-44.22	323.53	1.79	-42.43
O=C(C1=C2NC(=O)COC2=CC(Br)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020198172	1	36	-1.0	-44.22	323.60	1.80	-42.42
CC1=C(Br)C(=O)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CN1C1CC1	REAL300020198173	0	40	-1.0	-56.73	349.05	5.51	-51.22
CC1=C(Br)C(=O)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CN1C1CC1	REAL300020198173	1	40	-1.0	-56.72	349.12	5.51	-51.21
O=C(C1=C2CCCCC2=NNC1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020198174	0	39	-1.0	-48.59	317.47	1.68	-46.91
O=C(C1=C2CCCCC2=NNC1=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020198174	1	39	-1.0	-48.60	317.55	1.68	-46.92
O=C(C1=CC=C(N2CCCNS2(=O)=O)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020198175	0	44	-1.0	-54.69	355.93	0.55	-54.14
O=C(C1=CC=C(N2CCCNS2(=O)=O)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020198175	1	44	-1.0	-54.66	356.01	0.56	-54.10
CC[C@@H]1C[C@H](C(=O)N2CCC(C3=N[N-]N=N3)C2)N(C(=O)OC(C)(C)C)C1	REAL300020198176	0	53	-1.0	-52.56	409.70	5.64	-46.92
CC[C@@H]1C[C@H](C(=O)N2CCC(C3=NN=N[N-]3)C2)N(C(=O)OC(C)(C)C)C1	REAL300020198176	1	53	-1.0	-52.58	409.78	5.64	-46.94
CC(C)(C)OC(=O)NC(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1CCCOC1	REAL300020198177	0	54	-1.0	-37.44	407.51	2.66	-34.78
CC(C)(C)OC(=O)NC(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1CCCOC1	REAL300020198177	1	54	-1.0	-37.47	407.59	2.67	-34.80
O=C(C1=CN=C(C2CCOCC2)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020198178	0	40	-1.0	-42.93	334.37	2.49	-40.44
O=C(C1=CN=C(C2CCOCC2)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020198178	1	40	-1.0	-42.94	334.44	2.49	-40.45
O=C(N1CCC(C2=N[N-]N=N2)C1)C12CC(C(F)(F)F)(C1)CO2	REAL300020198179	0	35	-1.0	-39.47	301.83	2.85	-36.62
O=C(N1CCC(C2=NN=N[N-]2)C1)C12CC(C(F)(F)F)(C1)CO2	REAL300020198179	1	35	-1.0	-39.47	301.90	2.87	-36.60
CC(NC1=CC=C(C(F)(F)F)C=N1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020198180	0	40	-1.0	-35.98	344.63	3.64	-32.34
CC(NC1=CC=C(C(F)(F)F)C=N1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020198180	1	40	-1.0	-36.01	344.70	3.66	-32.35
O=C(C1=CN=C2COCCC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020198181	0	37	-1.0	-42.68	299.03	1.80	-40.88
O=C(C1=CN=C2COCCC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020198181	1	37	-1.0	-42.68	299.11	1.81	-40.87
CCC1=CC([N+](=O)[O-])=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020198182	0	38	-1.0	-40.47	320.41	5.71	-34.76
CCC1=CC([N+](=O)[O-])=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020198182	1	38	-1.0	-40.50	320.48	5.72	-34.78
CC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=NN1CC(F)(F)F	REAL300020198183	0	36	-1.0	-46.86	317.93	3.70	-43.16
CC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=NN1CC(F)(F)F	REAL300020198183	1	36	-1.0	-46.87	318.00	3.71	-43.16
COCCOC1=CC(Br)=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020198184	0	41	-1.0	-43.53	356.30	3.67	-39.86
COCCOC1=CC(Br)=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020198184	1	41	-1.0	-43.55	356.37	3.68	-39.87
CN1C=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C2=CC=CC(Cl)=C21	REAL300020198185	0	37	-1.0	-47.65	315.92	5.66	-41.99
CN1C=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C2=CC=CC(Cl)=C21	REAL300020198185	1	37	-1.0	-47.64	315.99	5.67	-41.97
CC1=C(C2=CC=CC=C2)ON=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020198186	0	39	-1.0	-40.72	330.41	5.90	-34.82
CC1=C(C2=CC=CC=C2)ON=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020198186	1	39	-1.0	-40.70	330.33	5.90	-34.80
O=C(C=CC1=C(Br)C=CS1)N1CCC(C2=N[N-]N=N2)C1	REAL300020198187	0	31	-1.0	-44.07	299.92	4.88	-39.19
O=C(C=CC1=C(Br)C=CS1)N1CCC(C2=NN=N[N-]2)C1	REAL300020198187	1	31	-1.0	-44.05	299.99	4.89	-39.16
O=C(C=CC1=C(Br)SC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020198188	0	31	-1.0	-44.88	299.87	4.87	-40.01
O=C(C=CC1=C(Br)SC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020198188	1	31	-1.0	-44.93	299.94	4.87	-40.06
C[C@@H]1C[C@H]1C(=O)NC1=CC=C(F)C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020198189	0	44	-1.0	-40.88	367.93	5.18	-35.70
C[C@@H]1C[C@H]1C(=O)NC1=CC=C(F)C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020198189	1	44	-1.0	-40.90	368.00	5.20	-35.70
O=C(C1=C(F)C=CC2=NNC=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020198190	0	33	-1.0	-44.23	293.17	2.67	-41.56
O=C(C1=C(F)C=CC2=NNC=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020198190	1	33	-1.0	-44.25	293.24	2.68	-41.57
O=C(C1=CN=CC(N2C=CC=N2)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020198191	0	35	-1.0	-40.57	305.36	3.14	-37.43
O=C(C1=CN=CC(N2C=CC=N2)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020198191	1	35	-1.0	-40.51	305.29	3.13	-37.38
O=C(C1=CC(F)=CC2=CN=CC=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020198192	0	35	-1.0	-43.07	298.65	4.26	-38.81
O=C(C1=CC(F)=CC2=CN=CC=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020198192	1	35	-1.0	-43.06	298.57	4.25	-38.81
CN1N=NC=C1C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020198193	0	39	-1.0	-48.14	319.55	3.32	-44.82
CN1N=NC=C1C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020198193	1	39	-1.0	-48.16	319.62	3.33	-44.83
CC(=O)NC(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020198194	0	40	-1.0	-43.10	334.09	3.11	-39.99
CC(=O)NC(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020198194	1	40	-1.0	-43.14	334.16	3.12	-40.02
CCCC(C(=O)N1CCC(C2=N[N-]N=N2)C1)N1SC2=CC=CC=C2C1=O	REAL300020198195	0	45	-1.0	-46.92	375.36	7.77	-39.15
CCCC(C(=O)N1CCC(C2=NN=N[N-]2)C1)N1SC2=CC=CC=C2C1=O	REAL300020198195	1	45	-1.0	-46.91	375.43	7.78	-39.13
O=C(C#CC1=CC=C(F)C(F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020198196	0	32	-1.0	-41.56	300.60	5.55	-36.01
O=C(C#CC1=CC=C(F)C(F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020198196	1	32	-1.0	-41.57	300.67	5.55	-36.02
CC(C)(C)C1=CC=CN=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020198197	0	41	-1.0	-42.95	310.22	4.89	-38.06
CC(C)(C)C1=CC=CN=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020198197	1	41	-1.0	-42.93	310.15	4.88	-38.05
CC(C)(C)OC(=O)N1CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020198198	0	48	-1.0	-51.82	368.37	5.17	-46.65
CC(C)(C)OC(=O)N1CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020198198	1	48	-1.0	-51.84	368.45	5.18	-46.66
CC1=C(F)C=CC=C1C1(C(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020198199	0	40	-1.0	-43.93	326.47	6.14	-37.79
CC1=C(F)C=CC=C1C1(C(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020198199	1	40	-1.0	-43.99	326.54	6.15	-37.84
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(C2=CC=CS2)CCCC1	REAL300020198200	0	40	-1.0	-40.57	319.15	5.70	-34.87
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(C2=CC=CS2)CCCC1	REAL300020198200	1	40	-1.0	-40.55	319.22	5.70	-34.85
O=C(C1=NOC(COC2=CC=C(F)C=C2F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020198201	0	40	-1.0	-46.10	356.30	5.03	-41.07
O=C(C1=NOC(COC2=CC=C(F)C=C2F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020198201	1	40	-1.0	-46.09	356.37	5.05	-41.04
O=C(C(C1=CC=CS1)C1CCCCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020198202	0	46	-1.0	-43.13	362.82	7.35	-35.78
O=C(C(C1=CC=CS1)C1CCCCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020198202	1	46	-1.0	-43.12	362.89	7.35	-35.77
NC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=NN1C1=CC=C(F)C=C1	REAL300020198203	0	39	-1.0	-43.42	326.49	3.97	-39.45
NC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=NN1C1=CC=C(F)C=C1	REAL300020198203	1	39	-1.0	-43.37	326.42	3.96	-39.41
CCOC(=O)C12CCC(C(=O)N3CCC(C4=N[N-]N=N4)C3)(CC1)CC2	REAL300020198204	0	49	-1.0	-44.57	366.29	6.00	-38.57
CCOC(=O)C12CCC(C(=O)N3CCC(C4=NN=N[N-]4)C3)(CC1)CC2	REAL300020198204	1	49	-1.0	-44.60	366.37	6.00	-38.60
O=C(C1=CC=CC(N2C=CC=C2)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020198205	0	37	-1.0	-44.43	312.23	6.56	-37.87
O=C(C1=CC=CC(N2C=CC=C2)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020198205	1	37	-1.0	-44.46	312.16	6.55	-37.91
O=C(CCC1=CC=C2OC=NC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020198206	0	38	-1.0	-47.97	323.86	2.47	-45.50
O=C(CCC1=CC=C2OC=NC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020198206	1	38	-1.0	-47.99	323.94	2.49	-45.50
O=C(C1=CC2=C(CCSC2)N=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020198207	0	37	-1.0	-43.32	326.87	4.58	-38.74
O=C(C1=CC2=C(CCSC2)N=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020198207	1	37	-1.0	-43.29	326.94	4.58	-38.71
O=C(C1=CC(Cl)=CC2=C1NCCC2)N1CCC(C2=N[N-]N=N2)C1	REAL300020198208	0	39	-1.0	-42.54	327.16	4.39	-38.15
O=C(C1=CC(Cl)=CC2=C1NCCC2)N1CCC(C2=NN=N[N-]2)C1	REAL300020198208	1	39	-1.0	-42.57	327.23	4.39	-38.18
NC1=NC(C2=COC=C2)=NC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020198209	0	37	-1.0	-42.59	318.60	1.73	-40.86
NC1=NC(C2=COC=C2)=NC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020198209	1	37	-1.0	-42.56	318.53	1.71	-40.85
CC(C)(C)OC(=O)NC1(C(=O)N2CCC(C3=N[N-]N=N3)C2)CC(F)(F)C1	REAL300020198210	0	47	-1.0	-47.27	377.29	3.85	-43.42
CC(C)(C)OC(=O)NC1(C(=O)N2CCC(C3=NN=N[N-]3)C2)CC(F)(F)C1	REAL300020198210	1	47	-1.0	-47.27	377.37	3.86	-43.41
CC1=C(C(N)=O)C=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020198211	0	37	-1.0	-52.20	300.89	1.13	-51.07
CC1=C(C(N)=O)C=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020198211	1	37	-1.0	-52.22	300.97	1.14	-51.08
O=C(CC1=CC(Cl)=CC(Br)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020198212	0	33	-1.0	-43.66	318.76	5.88	-37.78
O=C(CC1=CC(Cl)=CC(Br)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020198212	1	33	-1.0	-43.65	318.83	5.89	-37.76
CN1N=C(C(F)(F)F)C=C1CC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020198213	0	36	-1.0	-48.77	322.14	3.24	-45.53
CN1N=C(C(F)(F)F)C=C1CC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020198213	1	36	-1.0	-48.78	322.22	3.26	-45.52
O=C(C1=CC2=CC=CC(OC(F)F)=C2O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020198214	0	37	-1.0	-43.12	323.56	4.04	-39.08
O=C(C1=CC2=CC=CC(OC(F)F)=C2O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020198214	1	37	-1.0	-43.12	323.64	4.06	-39.06
CCC1=CN2CCC(C(=O)N3CCC(C4=N[N-]N=N4)C3)CC2=N1	REAL300020198215	0	43	-1.0	-41.96	343.39	5.42	-36.54
CCC1=CN2CCC(C(=O)N3CCC(C4=NN=N[N-]4)C3)CC2=N1	REAL300020198215	1	43	-1.0	-41.92	343.46	5.44	-36.48
O=C(CC1CCCC2CCCCC12)N1CCC(C2=N[N-]N=N2)C1	REAL300020198216	0	49	-1.0	-41.76	351.47	6.95	-34.81
O=C(CC1CCCC2CCCCC12)N1CCC(C2=NN=N[N-]2)C1	REAL300020198216	1	49	-1.0	-41.78	351.55	6.97	-34.81
COC1=C2C(C(=O)N3CCC(C4=N[N-]N=N4)C3)=CSC2=CC=C1	REAL300020198217	0	37	-1.0	-47.23	316.19	5.64	-41.59
COC1=C2C(C(=O)N3CCC(C4=NN=N[N-]4)C3)=CSC2=CC=C1	REAL300020198217	1	37	-1.0	-47.21	316.27	5.64	-41.57
O=C(C1=C2C=CC=CC2=NS1)N1CCC(C2=NN=N[N-]2)C1	REAL300020198218	0	32	-1.0	-44.11	281.44	3.70	-40.41
O=C(C1=C2C=CC=CC2=NS1)N1CCC(C2=N[N-]N=N2)C1	REAL300020198218	1	32	-1.0	-44.07	281.37	3.70	-40.37
O=C(C1=C2SC(Br)=CN2C=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020198219	0	30	-1.0	-46.82	295.69	5.48	-41.34
O=C(C1=C2SC(Br)=CN2C=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020198219	1	30	-1.0	-46.80	295.61	5.47	-41.33
CCOC1=CC=C(Cl)N=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020198220	0	36	-1.0	-46.27	315.96	4.65	-41.62
CCOC1=CC=C(Cl)N=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020198220	1	36	-1.0	-46.26	315.88	4.63	-41.63
O=C(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CNC2=CC=C(F)C=C12	REAL300020198221	0	36	-1.0	-42.45	312.51	3.97	-38.48
O=C(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CNC2=CC=C(F)C=C12	REAL300020198221	1	36	-1.0	-42.48	312.58	3.98	-38.50
C[C@@H]1OCCN(C(=O)OC(C)(C)C)[C@H]1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020198222	0	51	-1.0	-49.39	389.77	3.70	-45.69
C[C@@H]1OCCN(C(=O)OC(C)(C)C)[C@H]1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020198222	1	51	-1.0	-49.39	389.84	3.70	-45.69
CC(C)(C)OC(=O)NCC12CCC(C(=O)N3CCC(C4=N[N-]N=N4)C3)(CO1)C2	REAL300020198223	0	55	-1.0	-45.51	419.14	2.33	-43.18
CC(C)(C)OC(=O)NCC12CCC(C(=O)N3CCC(C4=NN=N[N-]4)C3)(CO1)C2	REAL300020198223	1	55	-1.0	-45.50	419.22	2.33	-43.17
CC(C)(C)OC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020198224	0	51	-1.0	-50.24	391.58	5.68	-44.56
CC(C)(C)OC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020198224	1	51	-1.0	-50.29	391.65	5.68	-44.61
COC1CCN(C(=O)OC(C)(C)C)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020198225	0	54	-1.0	-43.19	409.18	3.91	-39.28
COC1CCN(C(=O)OC(C)(C)C)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020198225	1	54	-1.0	-43.24	409.25	3.92	-39.32
CCO[C@@H]1C[C@@H](C(=O)N2CCC(C3=N[N-]N=N3)C2)N(C(=O)OC(C)(C)C)C1	REAL300020198226	0	54	-1.0	-52.82	423.48	4.28	-48.54
CCO[C@@H]1C[C@@H](C(=O)N2CCC(C3=NN=N[N-]3)C2)N(C(=O)OC(C)(C)C)C1	REAL300020198226	1	54	-1.0	-52.80	423.55	4.28	-48.52
CC(C)(C)OC(=O)NC(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1CC2CC2C1	REAL300020198227	0	54	-1.0	-36.89	409.40	5.18	-31.71
CC(C)(C)OC(=O)NC(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1CC2CC2C1	REAL300020198227	1	54	-1.0	-36.91	409.48	5.19	-31.72
CC(C)(C)OC(=O)NCCN1C=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=N1	REAL300020198228	0	50	-1.0	-49.79	403.03	2.05	-47.74
CC(C)(C)OC(=O)NCCN1C=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=N1	REAL300020198228	1	50	-1.0	-49.82	402.96	2.04	-47.78
CC1CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)CN1C(=O)OC(C)(C)C	REAL300020198229	0	50	-1.0	-43.10	383.44	4.56	-38.54
CC1CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)CN1C(=O)OC(C)(C)C	REAL300020198229	1	50	-1.0	-43.12	383.51	4.57	-38.55
CC(C)(C)OC(=O)NCC[NH+]1CCC(C(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020198230	0	59	0.0	-65.05	443.46	4.35	-60.70
CC(C)(C)OC(=O)NCC[NH+]1CCC(C(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020198230	1	59	0.0	-65.11	443.54	4.37	-60.74
CC1=NC(C2CCOCC2)=NC(C)=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020198231	0	48	-1.0	-40.72	385.07	3.63	-37.09
CC1=NC(C2CCOCC2)=NC(C)=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020198231	1	48	-1.0	-40.78	385.14	3.64	-37.14
O=C(C1=CC2=C(CCCC2=O)N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020198232	0	37	-1.0	-51.82	303.96	3.48	-48.34
O=C(C1=CC2=C(CCCC2=O)N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020198232	1	37	-1.0	-51.85	304.03	3.51	-48.34
CC(C)(C)C1=CC=C2C(N)=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)SC2=N1	REAL300020198233	0	46	-1.0	-44.46	372.22	4.01	-40.45
CC(C)(C)C1=CC=C2C(N)=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)SC2=N1	REAL300020198233	1	46	-1.0	-44.46	372.15	3.99	-40.47
O=C(C1=COC(CN2C=CC=N2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020198234	0	37	-1.0	-51.31	317.83	3.57	-47.74
O=C(C1=COC(CN2C=CC=N2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020198234	1	37	-1.0	-51.26	317.76	3.56	-47.70
COC1=CC=C(Cl)C(F)=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020198235	0	34	-1.0	-47.32	311.47	3.80	-43.52
COC1=CC=C(Cl)C(F)=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020198235	1	34	-1.0	-47.31	311.54	3.82	-43.49
N#CC1=CNC2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=C12	REAL300020198236	0	35	-1.0	-50.62	302.60	4.05	-46.57
N#CC1=CNC2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=C12	REAL300020198236	1	35	-1.0	-50.63	302.68	4.06	-46.57
O=C(C1=CNC(C2=CC=CC=C2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020198237	0	38	-1.0	-49.02	314.79	5.06	-43.96
O=C(C1=CNC(C2=CC=CC=C2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020198237	1	38	-1.0	-49.03	314.86	5.08	-43.95
O=C(N1CCC(C2=N[N-]N=N2)C1)[C@]12CCO[C@H]1CC(=O)NC2	REAL300020198238	0	39	-1.0	-48.37	299.60	-1.00	-49.37
O=C(N1CCC(C2=NN=N[N-]2)C1)[C@]12CCO[C@H]1CC(=O)NC2	REAL300020198238	1	39	-1.0	-48.41	299.67	-1.00	-49.41
CC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C(S(N)(=O)=O)S1	REAL300020198239	0	35	-1.0	-56.65	318.11	-0.58	-57.23
CC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C(S(N)(=O)=O)S1	REAL300020198239	1	35	-1.0	-56.67	318.19	-0.58	-57.25
CC(C)(C)C1CCC(C(O)C(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020198240	0	52	-1.0	-40.10	367.61	3.73	-36.37
CC(C)(C)C1CCC(C(O)C(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020198240	1	52	-1.0	-40.11	367.68	3.73	-36.38
COC1=CC(Br)=CC=C1C(=O)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020198241	0	36	-1.0	-38.60	322.21	4.94	-33.66
COC1=CC(Br)=CC=C1C(=O)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020198241	1	36	-1.0	-38.61	322.28	4.95	-33.66
NC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=NN1C1=CC=CC=C1F	REAL300020198242	0	39	-1.0	-47.42	328.23	4.00	-43.42
NC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=NN1C1=CC=CC=C1F	REAL300020198242	1	39	-1.0	-47.44	328.16	3.98	-43.46
O=C(C1=C2NC=CC2=CC(F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020198243	0	34	-1.0	-42.04	292.39	3.82	-38.22
O=C(C1=C2NC=CC2=CC(F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020198243	1	34	-1.0	-42.07	292.46	3.83	-38.24
CCC1=NNC(CC)=C1CC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020198244	0	42	-1.0	-46.67	342.31	3.74	-42.93
CCC1=NNC(CC)=C1CC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020198244	1	42	-1.0	-46.70	342.38	3.75	-42.95
CN(C)C1=NC2=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=CC=C2O1	REAL300020198245	0	40	-1.0	-53.25	334.64	2.18	-51.07
CN(C)C1=NC2=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=CC=C2O1	REAL300020198245	1	40	-1.0	-53.24	334.56	2.18	-51.06
O=C([C@@H](O)CC1=CC2=CC=CC=C2C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020198246	0	43	-1.0	-44.43	353.22	5.52	-38.91
O=C([C@@H](O)CC1=CC2=CC=CC=C2C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020198246	1	43	-1.0	-44.42	353.30	5.53	-38.89
CS(C)(=O)=NC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020198247	0	37	-1.0	-60.40	325.54	1.17	-59.23
CS(C)(=O)=NC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020198247	1	37	-1.0	-60.40	325.62	1.17	-59.23
O=C(CCC(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC(Br)=CS1	REAL300020198248	0	35	-1.0	-42.16	334.70	5.09	-37.07
O=C(CCC(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC(Br)=CS1	REAL300020198248	1	35	-1.0	-42.16	334.77	5.11	-37.05
CC(C)C[N@@H+]1CCCC(C(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020198249	0	48	0.0	-62.65	357.28	6.06	-56.59
CC(C)C[N@H+]1CCCC(C(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020198249	1	48	0.0	-56.42	347.10	6.18	-50.24
CC(C)C[N@@H+]1CCCC(C(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020198249	1	48	0.0	-62.65	357.28	6.06	-56.59
CC(C)C[N@H+]1CCCC(C(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020198249	1	48	0.0	-56.42	347.10	6.18	-50.24
O=C(C1=CSN=C1C1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020198251	0	36	-1.0	-42.96	315.00	4.90	-38.06
O=C(C1=CSN=C1C1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020198251	1	36	-1.0	-42.96	314.93	4.88	-38.08
O=C(C1=C(F)C(F)=C(F)C(F)=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020198252	0	30	-1.0	-38.74	291.10	4.19	-34.55
O=C(C1=C(F)C(F)=C(F)C(F)=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020198252	1	30	-1.0	-38.74	291.17	4.20	-34.54
O=C(CCC1=N[N-]N=N1)NCCCC1=NOC(C(F)(F)F)=N1	REAL300020198253	0	33	-1.0	-40.25	311.79	0.08	-40.17
O=C(CCC1=NN=N[N-]1)NCCCC1=NOC(C(F)(F)F)=N1	REAL300020198253	1	33	-1.0	-40.24	311.85	0.10	-40.14
CC(C)N1C=C(CNC(=O)CCC2=N[N-]N=N2)C(=O)NC1=O	REAL300020198254	0	38	-1.0	-49.26	321.68	0.14	-49.12
CC(C)N1C=C(CNC(=O)CCC2=NN=N[N-]2)C(=O)NC1=O	REAL300020198254	1	38	-1.0	-49.25	321.74	0.15	-49.10
COCCN1C=C(CNC(=O)CCC2=N[N-]N=N2)C(=O)NC1=O	REAL300020198255	0	39	-1.0	-52.59	339.35	-0.72	-53.31
COCCN1C=C(CNC(=O)CCC2=NN=N[N-]2)C(=O)NC1=O	REAL300020198255	1	39	-1.0	-52.63	339.41	-0.70	-53.33
O=C(CCC1=N[N-]N=N1)NCC1=CN(CCO)C(=O)NC1=O	REAL300020198256	0	36	-1.0	-53.41	317.16	-3.12	-56.53
O=C(CCC1=NN=N[N-]1)NCC1=CN(CCO)C(=O)NC1=O	REAL300020198256	1	36	-1.0	-53.38	317.22	-3.10	-56.48
CC(C)(C)OC(=O)N1CC(NC(=O)CCC2=N[N-]N=N2)(C2=CC=CC=C2)C1	REAL300020198257	0	50	-1.0	-45.87	402.43	4.81	-41.06
CC(C)(C)OC(=O)N1CC(NC(=O)CCC2=NN=N[N-]2)(C2=CC=CC=C2)C1	REAL300020198257	1	50	-1.0	-45.87	402.49	4.82	-41.05
O=C(CCC1=N[N-]N=N1)NC1=CC=C(N2CCCCC2)C(F)=C1	REAL300020198258	0	41	-1.0	-38.54	335.24	4.17	-34.37
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CC1CN(CC2=CC=CC=C2)CC2(CCN(C(=O)CCC3=NN=N[N-]3)C2)O1	REAL300020198284	1	53	0.0	-70.51	408.10	6.91	-63.60
CC1C[N@H+](CC2=CC=CC=C2)CC2(CCN(C(=O)CCC3=NN=N[N-]3)C2)O1	REAL300020198284	1	53	0.0	-67.85	407.00	6.88	-60.97
CC1C[N@@H+](CC2=CC=CC=C2)CC2(CCN(C(=O)CCC3=NN=N[N-]3)C2)O1	REAL300020198284	1	53	0.0	-70.51	408.10	6.91	-63.60
CC1=CN(CC2=CC=CC=C2)N=C1NC(=O)CCC1=NN=N[N-]1	REAL300020198285	0	39	-1.0	-48.33	338.59	6.08	-42.25
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CC(C)(C)CCN(CCC1=CC=CC=C1)C(=O)CCC1=NN=N[N-]1	REAL300020198287	1	50	-1.0	-40.97	393.89	8.95	-32.02
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CC1(C)C(C2=CC=CC=C2Cl)CCN1C(=O)CCC1=N[N-]N=N1	REAL300020198292	0	42	-1.0	-39.52	340.48	7.00	-32.52
CC1(C)C(C2=CC=CC=C2Cl)CCN1C(=O)CCC1=NN=N[N-]1	REAL300020198292	1	42	-1.0	-39.51	340.54	7.02	-32.49
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COC1=CC=C(CC2=NC3=CC(NC(=O)CCC4=NN=N[N-]4)=CC=C3N2)C=C1	REAL300020198295	1	46	-1.0	-46.43	390.17	5.03	-41.40
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CN(CC1=CC(F)=CC=C1OC1=CC=CC(Cl)=C1)C(=O)CCC1=N[N-]N=N1	REAL300020198297	0	43	-1.0	-43.19	377.12	9.24	-33.95
CN(CC1=CC(F)=CC=C1OC1=CC=CC(Cl)=C1)C(=O)CCC1=NN=N[N-]1	REAL300020198297	1	43	-1.0	-43.20	377.17	9.25	-33.95
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COC(=O)C1=C(C)N(C)C(CNC(=O)CCC2=N[N-]N=N2)=C1	REAL300020198299	0	39	-1.0	-42.71	335.63	3.18	-39.53
COC(=O)C1=C(C)N(C)C(CNC(=O)CCC2=NN=N[N-]2)=C1	REAL300020198299	1	39	-1.0	-42.70	335.69	3.19	-39.51
COC(=O)C(C)(C)CN(CC(C)C)C(=O)CCC1=N[N-]N=N1	REAL300020198300	0	46	-1.0	-41.18	353.46	5.76	-35.42
COC(=O)C(C)(C)CN(CC(C)C)C(=O)CCC1=NN=N[N-]1	REAL300020198300	1	46	-1.0	-41.18	353.52	5.78	-35.40
CC1(CNC(=O)CCC2=N[N-]N=N2)OCCC2=CC=CC=C21	REAL300020198301	0	40	-1.0	-40.94	321.38	3.43	-37.51
CC1(CNC(=O)CCC2=NN=N[N-]2)OCCC2=CC=CC=C21	REAL300020198301	1	40	-1.0	-40.89	321.43	3.44	-37.45
CC(C)(C)OCCCN1CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300020198302	0	51	0.0	-64.16	382.77	5.24	-58.92
CC(C)(C)OCCCN1CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020198302	1	51	0.0	-64.13	382.83	5.25	-58.88
CC(C)(C)OCCC[NH+]1CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300020198302	1	51	0.0	-64.16	382.77	5.24	-58.92
CC(C)(C)OCCC[NH+]1CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020198302	1	51	0.0	-64.13	382.83	5.25	-58.88
CCC1=CC=CC=C1OC1=CC=C(Cl)C=C1CN(C)C(=O)CCC1=N[N-]N=N1	REAL300020198303	0	49	-1.0	-41.20	408.68	10.51	-30.69
CCC1=CC=CC=C1OC1=CC=C(Cl)C=C1CN(C)C(=O)CCC1=NN=N[N-]1	REAL300020198303	1	49	-1.0	-41.23	408.74	10.53	-30.70
CCOC(=O)C1=C(C)N=C(C2CCN(C(=O)CCC3=N[N-]N=N3)C2)S1	REAL300020198304	0	44	-1.0	-42.28	380.56	4.92	-37.36
CCOC(=O)C1=C(C)N=C(C2CCN(C(=O)CCC3=NN=N[N-]3)C2)S1	REAL300020198304	1	44	-1.0	-42.29	380.62	4.93	-37.36
O=C(CCC1=N[N-]N=N1)NC1=CC=C(N2CC[N@@H+]3CCCC3C2)C=C1	REAL300020198305	0	48	0.0	-64.58	366.91	4.85	-59.73
O=C(CCC1=N[N-]N=N1)NC1=CC=C(N2CC[N@H+]3CCCC3C2)C=C1	REAL300020198305	1	48	0.0	-61.11	370.96	5.00	-56.11
O=C(CCC1=NN=N[N-]1)NC1=CC=C(N2CC[N@@H+]3CCCC3C2)C=C1	REAL300020198305	1	48	0.0	-64.58	366.91	4.85	-59.73
O=C(CCC1=NN=N[N-]1)NC1=CC=C(N2CC[N@H+]3CCCC3C2)C=C1	REAL300020198305	1	48	0.0	-61.11	370.96	5.00	-56.11
COC1=CC=C2NC3=C(CCN(C(=O)CCC4=N[N-]N=N4)C3)C2=C1	REAL300020198306	0	41	-1.0	-42.83	335.35	4.27	-38.56
COC1=CC=C2NC3=C(CCN(C(=O)CCC4=NN=N[N-]4)C3)C2=C1	REAL300020198306	1	41	-1.0	-42.85	335.41	4.28	-38.57
CC(C)(NC(=O)CCC1=N[N-]N=N1)C1=CC=C(C(F)(F)F)C=C1	REAL300020198307	0	38	-1.0	-38.83	322.61	4.98	-33.85
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CC(C)(C)OC(=O)NCCN(CC(F)(F)F)C(=O)CCC1=N[N-]N=N1	REAL300020198399	0	45	-1.0	-45.08	375.83	2.74	-42.34
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CCOC(=O)C1CC2=CC(F)=CC=C2N(C(=O)CCC2=N[N-]N=N2)C1	REAL300020198400	0	42	-1.0	-40.71	351.08	6.76	-33.95
CCOC(=O)C1CC2=CC(F)=CC=C2N(C(=O)CCC2=NN=N[N-]2)C1	REAL300020198400	1	42	-1.0	-40.65	351.13	6.77	-33.88
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CC(C)N1C=NC2=CC=C(CNC(=O)CCC3=N[N-]N=N3)C=C21	REAL300020198403	0	41	-1.0	-43.35	346.56	5.29	-38.06
CC(C)N1C=NC2=CC=C(CNC(=O)CCC3=NN=N[N-]3)C=C21	REAL300020198403	1	41	-1.0	-43.37	346.62	5.31	-38.06
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CN(CCNC(=O)CCC1=NN=N[N-]1)CCS(C)(=O)=O	REAL300020198406	1	39	-1.0	-49.36	334.79	-3.16	-52.52
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CN1CCN2C(CNC(=O)CCC3=NN=N[N-]3)=NN=C2C1=O	REAL300020198409	1	36	-1.0	-50.97	313.22	0.73	-50.24
CC1(C)OC[C@@H](NC(=O)CCC2=N[N-]N=N2)[C@@H](C2=CC=CC=C2)O1	REAL300020198410	0	44	-1.0	-40.81	351.83	4.12	-36.69
CC1(C)OC[C@@H](NC(=O)CCC2=NN=N[N-]2)[C@@H](C2=CC=CC=C2)O1	REAL300020198410	1	44	-1.0	-40.82	351.88	4.13	-36.69
CN1CCN2C(CCNC(=O)CCC3=N[N-]N=N3)=NN=C2C1=O	REAL300020198411	0	39	-1.0	-55.99	334.66	1.46	-54.53
CN1CCN2C(CCNC(=O)CCC3=NN=N[N-]3)=NN=C2C1=O	REAL300020198411	1	39	-1.0	-56.08	334.72	1.47	-54.61
COC(=O)[C@@]1(CNC(=O)CCC2=N[N-]N=N2)C[C@@H]1S(C)(=O)=O	REAL300020198412	0	38	-1.0	-53.58	343.16	-0.69	-54.27
COC(=O)[C@@]1(CNC(=O)CCC2=NN=N[N-]2)C[C@@H]1S(C)(=O)=O	REAL300020198412	1	38	-1.0	-53.61	343.22	-0.67	-54.28
COC1(C2=NC=CN2C)CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300020198413	0	43	-1.0	-43.55	336.09	3.30	-40.25
COC1(C2=NC=CN2C)CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020198413	1	43	-1.0	-43.54	336.15	3.32	-40.22
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CC(=O)N1CCC[C@@H]1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020205453	0	36	-1.0	-56.28	323.00	0.45	-55.83
CC(=O)N1CCC[C@@H]1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020205453	1	36	-1.0	-56.24	323.06	0.43	-55.81
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CC1=NN(CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C(C(F)F)=C1	REAL300020205501	0	35	-1.0	-48.97	335.73	1.38	-47.59
CC1=NN(CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C(C(F)F)=C1	REAL300020205501	1	35	-1.0	-48.93	335.78	1.35	-47.58
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CCC1(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CCNC1=O	REAL300020205503	0	36	-1.0	-52.22	317.93	-1.54	-53.76
CCC1(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CCNC1=O	REAL300020205503	1	36	-1.0	-52.17	317.98	-1.57	-53.74
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CCOC(=O)[C@@H]1CC[C@H](C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C1	REAL300020205505	0	41	-1.0	-49.31	362.30	3.23	-46.08
CCOC(=O)[C@@H]1CC[C@H](C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C1	REAL300020205505	1	41	-1.0	-49.28	362.35	3.20	-46.08
COC(=O)C1=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=CC=C1C	REAL300020205506	0	38	-1.0	-46.32	348.98	3.26	-43.06
COC(=O)C1=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=CC=C1C	REAL300020205506	1	38	-1.0	-46.22	349.03	3.23	-42.99
COC1=CN=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C(F)=C1	REAL300020205507	0	32	-1.0	-46.93	309.54	-0.33	-47.26
COC1=CN=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C(F)=C1	REAL300020205507	1	32	-1.0	-46.95	309.49	-0.30	-47.25
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CC1=NC2=CC=CC(Cl)=C2C=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020205509	0	37	-1.0	-45.24	350.21	3.54	-41.70
CC1=NC2=CC=CC(Cl)=C2C=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020205509	1	37	-1.0	-45.17	350.27	3.52	-41.65
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CC1=NN(CC(C)C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1	REAL300020205512	0	38	-1.0	-46.14	341.13	2.12	-44.02
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O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=NC2=NC=CN2C=C1	REAL300020208109	1	31	-1.0	-54.18	302.00	3.25	-50.93
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1CCC2(CC1)NC(=O)NC2=O	REAL300020208110	0	41	-1.0	-53.20	354.25	-2.59	-55.79
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1CCC2(CC1)NC(=O)NC2=O	REAL300020208110	1	41	-1.0	-53.14	354.30	-2.62	-55.76
CCCN1C=C(Cl)C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=N1	REAL300020208111	0	35	-1.0	-48.43	341.80	1.93	-46.50
CCCN1C=C(Cl)C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=N1	REAL300020208111	1	35	-1.0	-48.42	341.75	1.96	-46.46
CC1=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C(Cl)N=C1C	REAL300020208112	0	34	-1.0	-46.52	324.50	1.88	-44.64
CC1=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C(Cl)N=C1C	REAL300020208112	1	34	-1.0	-46.50	324.55	1.85	-44.65
COC(=O)C1CCC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C1	REAL300020208113	0	38	-1.0	-46.03	339.65	2.25	-43.78
COC(=O)C1CCC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C1	REAL300020208113	1	38	-1.0	-46.00	339.70	2.22	-43.78
COC(=O)C1=NNC2=CC=C(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)C=C21	REAL300020208114	0	38	-1.0	-51.53	359.91	1.41	-50.12
COC(=O)C1=NNC2=CC=C(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)C=C21	REAL300020208114	1	38	-1.0	-51.47	359.96	1.38	-50.09
CC(C)(C)C1CCNC2=C(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)C=NN21	REAL300020208115	0	47	-1.0	-48.28	387.80	2.38	-45.90
CC(C)(C)C1CCNC2=C(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)C=NN21	REAL300020208115	1	47	-1.0	-48.31	387.74	2.41	-45.90
CNC1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)SC2=NC=CN=C21	REAL300020208116	0	35	-1.0	-49.07	339.85	-1.20	-50.27
CNC1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)SC2=NC=CN=C21	REAL300020208116	1	35	-1.0	-49.10	339.79	-1.17	-50.27
CC1=NN=C2SC(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)=C(N)C2=C1C	REAL300020208117	0	38	-1.0	-49.94	350.53	0.03	-49.91
CC1=NN=C2SC(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)=C(N)C2=C1C	REAL300020208117	1	38	-1.0	-49.94	350.59	0.00	-49.94
CC1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C(C2=CC=C(C)C=C2)=NO1	REAL300020208118	0	41	-1.0	-45.86	379.44	4.66	-41.20
CC1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C(C2=CC=C(C)C=C2)=NO1	REAL300020208118	1	41	-1.0	-45.90	379.39	4.69	-41.21
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CC1=C(Cl)C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=NN1	REAL300020208120	0	29	-1.0	-47.40	297.62	-0.43	-47.83
CC1=C(Cl)C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=NN1	REAL300020208120	1	29	-1.0	-47.40	297.68	-0.46	-47.86
NC(=O)C1=CC=C(F)C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020208121	0	33	-1.0	-54.51	317.23	-1.07	-55.58
NC(=O)C1=CC=C(F)C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020208121	1	33	-1.0	-54.50	317.28	-1.09	-55.59
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CC12CC(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)(C1)CCO2	REAL300020208124	0	37	-1.0	-43.60	320.09	0.86	-42.74
CC12CC(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)(C1)CCO2	REAL300020208124	1	37	-1.0	-43.54	320.14	0.83	-42.71
[N-]=[N+]=N[C@@H]1C[C@@]2(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)C[C@@H]12	REAL300020208125	0	32	-1.0	-44.86	311.95	-1.65	-46.51
[N-]=[N+]=N[C@@H]1C[C@@]2(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)C[C@@H]12	REAL300020208125	1	32	-1.0	-44.83	312.00	-1.68	-46.51
[N-]=[N+]=NC12CCC(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)(CC1)C2	REAL300020208126	0	38	-1.0	-44.09	340.23	-0.83	-44.92
[N-]=[N+]=NC12CCC(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)(CC1)C2	REAL300020208126	1	38	-1.0	-44.06	340.28	-0.86	-44.92
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=NOC(C2=CC=C3OCOC3=C2)=C1	REAL300020208127	0	38	-1.0	-47.77	362.94	1.73	-46.04
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=NOC(C2=CC=C3OCOC3=C2)=C1	REAL300020208127	1	38	-1.0	-47.81	362.89	1.75	-46.06
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC(C2CCC2)=NO1	REAL300020208128	0	35	-1.0	-44.01	324.49	2.03	-41.98
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC(C2CCC2)=NO1	REAL300020208128	1	35	-1.0	-44.01	324.54	2.00	-42.01
CC(C)C1=NOC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C1	REAL300020208129	0	36	-1.0	-50.71	329.06	1.82	-48.89
CC(C)C1=NOC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C1	REAL300020208129	1	36	-1.0	-50.67	329.11	1.79	-48.88
CC1=CC(C(F)(F)C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=CS1	REAL300020208130	0	32	-1.0	-42.99	325.26	2.63	-40.36
CC1=CC(C(F)(F)C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=CS1	REAL300020208130	1	32	-1.0	-42.92	325.31	2.60	-40.32
CC(C)(C#N)CCC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020208131	0	35	-1.0	-49.25	318.84	1.83	-47.42
CC(C)(C#N)CCC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020208131	1	35	-1.0	-49.17	318.89	1.80	-47.37
[N-]=[N+]=NC1=CC=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020208132	0	31	-1.0	-43.67	305.79	-0.23	-43.90
[N-]=[N+]=NC1=CC=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020208132	1	31	-1.0	-43.61	305.84	-0.25	-43.86
[N-]=[N+]=NCC1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)O1	REAL300020208133	0	31	-1.0	-47.27	314.48	-2.46	-49.73
[N-]=[N+]=NCC1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)O1	REAL300020208133	1	31	-1.0	-47.22	314.53	-2.49	-49.71
CC1=NN(CC(F)(F)F)C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020208134	0	35	-1.0	-46.21	340.29	1.71	-44.50
CC1=NN(CC(F)(F)F)C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020208134	1	35	-1.0	-46.13	340.34	1.68	-44.45
[N-]=[N+]=NCCCCCCC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020208135	0	39	-1.0	-44.84	358.95	-0.47	-45.31
[N-]=[N+]=NCCCCCCC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020208135	1	39	-1.0	-44.83	359.01	-0.50	-45.33
[N-]=[N+]=NCC1=CC=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020208136	0	34	-1.0	-45.78	329.74	-0.66	-46.44
[N-]=[N+]=NCC1=CC=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020208136	1	34	-1.0	-45.75	329.79	-0.69	-46.44
[N-]=[N+]=NCCCCCCCCCC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020208137	0	48	-1.0	-45.41	423.45	1.87	-43.54
[N-]=[N+]=NCCCCCCCCCC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020208137	1	48	-1.0	-45.40	423.50	1.84	-43.56
CC1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C(Cl)N=C1Cl	REAL300020208138	0	31	-1.0	-42.29	320.57	1.72	-40.57
CC1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C(Cl)N=C1Cl	REAL300020208138	1	31	-1.0	-42.32	320.52	1.74	-40.58
CC1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C(N=[N+]=[N-])=C1	REAL300020208139	0	34	-1.0	-45.86	325.75	0.71	-45.15
CC1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C(N=[N+]=[N-])=C1	REAL300020208139	1	34	-1.0	-45.82	325.80	0.69	-45.13
CCOCC(N=[N+]=[N-])C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020208140	0	34	-1.0	-43.38	326.93	-3.42	-46.80
CCOCC(N=[N+]=[N-])C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020208140	1	34	-1.0	-43.35	326.98	-3.44	-46.79
CC1=C(C)C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C(N2C=NN=N2)S1	REAL300020208141	0	37	-1.0	-51.45	359.74	2.48	-48.97
CC1=C(C)C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C(N2C=NN=N2)S1	REAL300020208141	1	37	-1.0	-51.51	359.69	2.51	-49.00
CC12CC3(C)CC(F)(C1)CC(C(=O)NCC1=NC(C4=N[N-]N=N4)=CS1)(C2)C3	REAL300020208142	0	49	-1.0	-42.71	389.50	5.01	-37.70
CC12CC3(C)CC(F)(C1)CC(C(=O)NCC1=NC(C4=NN=N[N-]4)=CS1)(C2)C3	REAL300020208142	1	49	-1.0	-42.65	389.55	4.98	-37.67
CN1C=C(C(F)(F)C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=N1	REAL300020208143	0	32	-1.0	-47.60	316.96	0.62	-46.98
CN1C=C(C(F)(F)C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=N1	REAL300020208143	1	32	-1.0	-47.61	316.90	0.65	-46.96
CC1(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CCCCNC1=O	REAL300020208144	0	39	-1.0	-46.87	323.32	-0.09	-46.96
CC1(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CCCCNC1=O	REAL300020208144	1	39	-1.0	-46.83	323.37	-0.12	-46.95
COC1=NC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C(C(F)(F)F)=N1	REAL300020208145	0	34	-1.0	-45.86	332.41	-2.08	-47.94
COC1=NC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C(C(F)(F)F)=N1	REAL300020208145	1	34	-1.0	-45.94	332.35	-2.06	-48.00
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=C([N+](=O)[O-])C=NN1CC(F)F	REAL300020208146	0	34	-1.0	-44.55	347.06	1.44	-43.11
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=C([N+](=O)[O-])C=NN1CC(F)F	REAL300020208146	1	34	-1.0	-44.57	347.01	1.47	-43.10
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1CC(C2CCC2)C1	REAL300020208147	0	39	-1.0	-44.25	337.84	3.69	-40.56
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1CC(C2CCC2)C1	REAL300020208147	1	39	-1.0	-44.25	337.89	3.66	-40.59
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C(CN2CCOCC2)C=C1	REAL300020208148	0	45	-1.0	-45.78	387.05	1.15	-44.63
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C(CN2CCOCC2)C=C1	REAL300020208148	1	45	-1.0	-45.78	387.10	1.13	-44.65
O=C(CC1CC[NH+](CC2=CC=CC=C2)CC1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020208149	0	51	0.0	-68.08	418.13	6.42	-61.66
O=C(CC1CC[NH+](CC2=CC=CC=C2)CC1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020208149	1	51	0.0	-68.08	418.18	6.39	-61.69
CC1CN(CC2=CC=C(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)C=C2)CCO1	REAL300020208150	0	48	-1.0	-45.47	407.35	1.70	-43.77
CC1CN(CC2=CC=C(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)C=C2)CCO1	REAL300020208150	1	48	-1.0	-45.46	407.40	1.67	-43.79
CC1C[N@H+](CC2=CC=C(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)C=C2)CCO1	REAL300020208150	1	49	0.0	-72.78	403.97	4.11	-68.67
CC1C[N@@H+](CC2=CC=C(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)C=C2)CCO1	REAL300020208150	1	49	0.0	-72.85	403.97	4.11	-68.74
CCNC(=O)N1CCC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CC1	REAL300020208151	0	44	-1.0	-50.36	374.92	0.88	-49.48
CCNC(=O)N1CCC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CC1	REAL300020208151	1	44	-1.0	-50.37	374.98	0.85	-49.52
COC1=CC([C@@H](C)CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=CC=C1C	REAL300020208152	0	45	-1.0	-45.74	387.25	4.02	-41.72
COC1=CC([C@@H](C)CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=CC=C1C	REAL300020208152	1	45	-1.0	-45.72	387.30	3.99	-41.73
C#CC1=CC=CC(OCC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020208153	0	35	-1.0	-49.94	339.01	3.83	-46.11
C#CC1=CC=CC(OCC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020208153	1	35	-1.0	-49.92	339.06	3.80	-46.12
O=C(C=CC1=CC=C2CCOCC2=C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020208154	0	41	-1.0	-46.26	366.48	3.33	-42.93
O=C(C=CC1=CC=C2CCOCC2=C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020208154	1	41	-1.0	-46.20	366.53	3.30	-42.90
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1CCCC2(CCC2)C1	REAL300020208155	0	42	-1.0	-43.26	347.85	3.95	-39.31
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1CCCC2(CCC2)C1	REAL300020208155	1	42	-1.0	-43.22	347.90	3.92	-39.30
CC(C)CN1N=CC=C1[C@@H]1C[C@H]1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020208156	0	45	-1.0	-45.46	389.91	3.66	-41.80
CC(C)CN1N=CC=C1[C@@H]1C[C@H]1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020208156	1	45	-1.0	-45.43	389.96	3.63	-41.80
CC(C)CN1C=C([C@@H]2C[C@H]2C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=N1	REAL300020208157	0	45	-1.0	-46.14	393.65	4.33	-41.81
CC(C)CN1C=C([C@@H]2C[C@H]2C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=N1	REAL300020208157	1	45	-1.0	-46.20	393.60	4.36	-41.84
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CC1=CC=C(F)C=C1C1(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CC1	REAL300020208184	0	39	-1.0	-45.06	355.50	4.42	-40.64
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COC1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C2=CC=CN=C2C=C1	REAL300020208186	0	38	-1.0	-49.94	351.39	1.52	-48.42
COC1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C2=CC=CN=C2C=C1	REAL300020208186	1	38	-1.0	-49.96	351.34	1.55	-48.41
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CC(C)(C)OC(=O)N[C@@H]1C[C@]2(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)C[C@H]12	REAL300020208188	0	47	-1.0	-48.89	407.04	1.54	-47.35
CC(C)(C)OC(=O)N[C@@H]1C[C@]2(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)C[C@H]12	REAL300020208188	1	47	-1.0	-48.86	407.09	1.51	-47.35
COC(=O)[C@@H]1C[C@@]1(C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)C(C)C	REAL300020208189	0	41	-1.0	-52.50	360.13	2.86	-49.64
COC(=O)[C@@H]1C[C@@]1(C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C(C)C	REAL300020208189	1	41	-1.0	-52.47	360.18	2.83	-49.64
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CC1CC(C)(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CC(C)O1	REAL300020208193	1	42	-1.0	-44.31	350.31	1.83	-42.48
COCCN1C=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C1=O	REAL300020208194	0	39	-1.0	-61.86	353.67	1.71	-60.15
COCCN1C=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C1=O	REAL300020208194	1	39	-1.0	-61.83	353.72	1.69	-60.14
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CC1=CC=C(F)C=C1C(F)(F)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020208199	0	35	-1.0	-45.31	332.76	3.29	-42.02
CC1=CC=C(F)C=C1C(F)(F)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020208199	1	35	-1.0	-45.22	332.81	3.26	-41.96
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O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CN(C2CCC2)C1=O	REAL300020208200	1	39	-1.0	-57.17	344.47	3.00	-54.17
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=NN(CC(F)F)C=C1[N+](=O)[O-]	REAL300020208201	0	34	-1.0	-56.70	340.88	2.60	-54.10
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O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C(F)(F)C1=CC(F)=CC=C1F	REAL300020208202	1	31	-2.0	-98.21	321.12	1.30	-96.91
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O=C([N-]CC1=NC(C2=N[N-]N=N2)=CS1)C(F)(F)C1=CC=CC(F)=C1F	REAL300020208203	1	31	-2.0	-101.07	320.96	1.35	-99.72
O=C([N-]CC1=NC(C2=NN=N[N-]2)=CS1)C(F)(F)C1=CC=CC(F)=C1F	REAL300020208203	1	31	-2.0	-101.10	321.02	1.31	-99.79
CCC1=CC=CC=C1C(F)(F)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020208204	0	38	-1.0	-43.69	343.69	3.79	-39.90
CCC1=CC=CC=C1C(F)(F)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020208204	1	38	-1.0	-43.64	343.74	3.77	-39.87
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CN1C2=C(CCCC1=O)OC=C2C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020208206	0	40	-1.0	-50.22	352.24	1.62	-48.60
CN1C2=C(CCCC1=O)OC=C2C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020208206	1	40	-1.0	-50.18	352.30	1.59	-48.59
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC2=CC=C(Cl)N=C2S1	REAL300020208207	0	31	-1.0	-47.09	329.01	1.97	-45.12
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC2=CC=C(Cl)N=C2S1	REAL300020208207	1	31	-1.0	-47.14	328.96	2.00	-45.14
O=C(CC1=C2NC=CC=C2N=C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020208208	0	35	-1.0	-56.77	329.21	0.93	-55.84
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COC1=C2NC=C(CC(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)C2=CC=C1	REAL300020208209	0	40	-1.0	-50.74	364.27	2.08	-48.66
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CC1=C(F)C=CC=C1C1(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CC1	REAL300020208258	0	39	-1.0	-46.99	352.44	4.37	-42.62
CC1=C(F)C=CC=C1C1(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CC1	REAL300020208258	1	39	-1.0	-46.95	352.49	4.34	-42.61
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CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC1=NN=N[N-]1)C2	REAL300020208519	1	47	-1.0	-47.22	369.30	4.36	-42.86
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CN(CC(F)(F)F)C1CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300020208525	0	40	-1.0	-41.24	320.96	2.71	-38.53
CN(CC(F)(F)F)C1CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020208525	1	40	-1.0	-41.20	321.02	2.72	-38.48
CC1=C(C)NC(C2=CC=CC=C2NC(=O)CCC2=N[N-]N=N2)=N1	REAL300020208526	0	39	-1.0	-45.98	327.24	5.03	-40.95
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CC1=NC2=CC=CN=C2N1C1CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300020208527	0	44	-1.0	-48.47	354.80	6.16	-42.31
CC1=NC2=CC=CN=C2N1C1CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020208527	1	44	-1.0	-48.48	354.85	6.17	-42.31
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CC1(CN2C=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)N=N2)COC1	REAL300020212153	0	46	-1.0	-48.39	351.87	3.02	-45.37
CC1(CN2C=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)N=N2)COC1	REAL300020212153	1	46	-1.0	-48.37	351.81	3.00	-45.37
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NC(=O)C1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CO1	REAL300020212154	1	37	-1.0	-54.85	296.64	0.28	-54.57
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COC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1O	REAL300020212162	1	41	-1.0	-49.92	320.37	2.56	-47.36
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CC1=CC=C(C(=O)NCCC(=O)N2CCCCC2CC2=N[N-]N=N2)C(O)=C1	REAL300020212168	0	50	-1.0	-60.50	394.68	3.75	-56.75
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CCCCC(ON=C(C)C)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020212172	0	51	-1.0	-54.86	383.91	7.26	-47.60
CCCCC(ON=C(C)C)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020212172	1	51	-1.0	-54.80	383.87	7.30	-47.50
CN(C)C1=NC2=CC=CC=C2C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020212173	0	49	-1.0	-46.00	376.12	7.86	-38.14
CN(C)C1=NC2=CC=CC=C2C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020212173	1	49	-1.0	-46.03	376.07	7.83	-38.20
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=NN1C1CCCCC1	REAL300020212174	0	52	-1.0	-49.38	383.29	7.04	-42.34
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=NN1C1CCCCC1	REAL300020212174	1	52	-1.0	-49.34	383.32	7.04	-42.30
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COC1=CC=C(CC(C)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1OC	REAL300020212176	0	53	-1.0	-50.43	396.93	6.68	-43.75
COC1=CC=C(CC(C)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1OC	REAL300020212176	1	53	-1.0	-50.46	396.98	6.69	-43.77
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COC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC(OC)=C1C(C)C	REAL300020212178	0	53	-1.0	-48.65	392.54	6.38	-42.27
COC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC(OC)=C1C(C)C	REAL300020212178	1	53	-1.0	-48.65	392.58	6.41	-42.24
O=C(CCC1=CC=C([N+](=O)[O-])C=C1[N+](=O)[O-])N1CCCCC1CC1=N[N-]N=N1	REAL300020212179	0	46	-1.0	-52.53	377.04	7.94	-44.59
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CCC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=NN1C	REAL300020212180	0	42	-1.0	-54.57	321.73	5.03	-49.54
CCC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=NN1C	REAL300020212180	1	42	-1.0	-54.55	321.79	5.03	-49.52
O=C(C1=CC2=NC=CN=C2N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212181	0	39	-1.0	-53.12	311.35	2.85	-50.27
O=C(C1=CC2=NC=CN=C2N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212181	1	39	-1.0	-53.09	311.33	2.83	-50.26
CN1C=NC(C2=CC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2)=N1	REAL300020212182	0	45	-1.0	-54.62	358.19	7.51	-47.11
CN1C=NC(C2=CC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2)=N1	REAL300020212182	1	45	-1.0	-54.61	358.16	7.49	-47.12
CC(O)(CC(=O)N1CCCCC1CC1=N[N-]N=N1)C1=CC=CC=C1	REAL300020212183	0	46	-1.0	-50.95	344.72	5.21	-45.74
CC(O)(CC(=O)N1CCCCC1CC1=NN=N[N-]1)C1=CC=CC=C1	REAL300020212183	1	46	-1.0	-50.91	344.78	5.23	-45.68
CN1N=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1Br	REAL300020212184	0	36	-1.0	-47.92	304.94	3.76	-44.16
CN1N=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1Br	REAL300020212184	1	36	-1.0	-47.90	304.84	3.76	-44.14
CC1CC(C)CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020212185	0	48	-1.0	-50.09	343.82	6.98	-43.11
CC1CC(C)CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020212185	1	48	-1.0	-50.10	343.87	6.99	-43.11
O=C(C1=CC2=C(C=N1)OCCC2)N1CCCCC1CC1=N[N-]N=N1	REAL300020212186	0	43	-1.0	-49.85	327.07	5.16	-44.69
O=C(C1=CC2=C(C=N1)OCCC2)N1CCCCC1CC1=NN=N[N-]1	REAL300020212186	1	43	-1.0	-49.86	327.11	5.17	-44.69
CCCN1C=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020212187	0	42	-1.0	-50.14	325.13	4.48	-45.66
CCCN1C=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020212187	1	42	-1.0	-50.14	325.08	4.47	-45.67
CC(C)(C)OC(=O)NC(CC(=O)N1CCCCC1CC1=N[N-]N=N1)C1CC1	REAL300020212188	0	56	-1.0	-53.93	415.59	6.14	-47.79
CC(C)(C)OC(=O)NC(CC(=O)N1CCCCC1CC1=NN=N[N-]1)C1CC1	REAL300020212188	1	56	-1.0	-53.92	415.66	6.15	-47.77
CN1C=C(C2=CC=C(F)C(C(=O)N3CCCCC3CC3=NN=N[N-]3)=C2)C=N1	REAL300020212189	0	46	-1.0	-58.11	363.39	6.71	-51.40
CN1C=C(C2=CC=C(F)C(C(=O)N3CCCCC3CC3=N[N-]N=N3)=C2)C=N1	REAL300020212189	1	46	-1.0	-58.11	363.39	6.69	-51.42
O=C(C1=CSC(C2=CC=C(F)C(F)=C2)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212190	0	42	-1.0	-50.58	355.53	7.14	-43.44
O=C(C1=CSC(C2=CC=C(F)C(F)=C2)=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212190	1	42	-1.0	-50.58	355.47	7.13	-43.45
CC(C)(C)OC(=O)NCCCCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020212191	0	55	-1.0	-53.70	412.59	4.78	-48.92
CC(C)(C)OC(=O)NCCCCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020212191	1	55	-1.0	-53.70	412.64	4.79	-48.91
CCC1CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)CCO1	REAL300020212192	0	46	-1.0	-48.52	334.24	4.94	-43.58
CCC1CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)CCO1	REAL300020212192	1	46	-1.0	-48.51	334.29	4.95	-43.56
CC(C)CN1C=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020212193	0	45	-1.0	-49.99	340.45	5.29	-44.70
CC(C)CN1C=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020212193	1	45	-1.0	-49.98	340.41	5.28	-44.70
O=C(COCCNC(=O)C1=CC=CC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212194	0	50	-1.0	-54.16	394.08	5.03	-49.13
O=C(COCCNC(=O)C1=CC=CC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212194	1	50	-1.0	-54.18	394.13	5.04	-49.14
CC1=NN(C(C)(C)C)C=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020212195	0	48	-1.0	-55.20	367.51	5.60	-49.60
CC1=NN(C(C)(C)C)C=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020212195	1	48	-1.0	-52.90	366.59	6.09	-46.81
CC(C)OC1=CN=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020212196	0	44	-1.0	-46.85	342.03	2.91	-43.94
CC(C)OC1=CN=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020212196	1	44	-1.0	-46.87	341.98	2.90	-43.97
O=C(C1=CC=C(OC(F)F)C([N+](=O)[O-])=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212197	0	42	-1.0	-49.37	345.28	6.42	-42.95
O=C(C1=CC=C(OC(F)F)C([N+](=O)[O-])=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212197	1	42	-1.0	-49.40	345.31	6.42	-42.98
COCCN1C=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C(C)=N1	REAL300020212198	0	46	-1.0	-50.75	352.98	3.50	-47.25
COCCN1C=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C(C)=N1	REAL300020212198	1	46	-1.0	-50.77	353.00	3.52	-47.25
O=C(C1=CC=C([N+](=O)[O-])C=C1[O-])N1CCCCC1CC1=N[N-]N=N1	REAL300020212199	0	38	-2.0	-106.79	312.44	4.80	-101.99
O=C(C1=CC=C([N+](=O)[O-])C=C1[O-])N1CCCCC1CC1=NN=N[N-]1	REAL300020212199	1	38	-2.0	-106.94	312.41	4.83	-102.11
O=C(C1CCCCS1(=O)=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020212200	0	42	-1.0	-63.52	326.24	2.25	-61.27
O=C(C1CCCCS1(=O)=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020212200	1	42	-1.0	-63.50	326.30	2.27	-61.23
O=C(NCC(F)F)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020212201	0	36	-1.0	-46.67	292.09	1.24	-45.43
O=C(NCC(F)F)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020212201	1	36	-1.0	-46.70	292.15	1.25	-45.45
O=C(C1=CC=CC(Br)=C1Cl)N1CCCCC1CC1=N[N-]N=N1	REAL300020212202	0	36	-1.0	-48.94	311.37	6.34	-42.60
O=C(C1=CC=CC(Br)=C1Cl)N1CCCCC1CC1=NN=N[N-]1	REAL300020212202	1	36	-1.0	-48.95	311.34	6.36	-42.59
CC(C(=O)N1CCCCC1CC1=N[N-]N=N1)N(C)CC(F)(F)F	REAL300020212203	0	43	-1.0	-49.58	323.23	3.55	-46.03
CC(C(=O)N1CCCCC1CC1=NN=N[N-]1)N(C)CC(F)(F)F	REAL300020212203	1	43	-1.0	-49.57	323.29	3.56	-46.01
O=C(C1=CC(F)=CC2=NNN=C21)N1CCCCC1CC1=N[N-]N=N1	REAL300020212204	0	38	-1.0	-49.66	305.35	2.69	-46.97
O=C(C1=CC(F)=CC2=NNN=C21)N1CCCCC1CC1=NN=N[N-]1	REAL300020212204	1	38	-1.0	-49.71	305.35	2.71	-47.00
O=C(C1=NN2CCCOC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212205	0	41	-1.0	-54.47	314.60	2.84	-51.63
O=C(C1=NN2CCCOC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212205	1	41	-1.0	-54.42	314.54	2.82	-51.60
O=C(C1CC2=CC=CC=C2C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212206	0	43	-1.0	-46.90	325.29	7.06	-39.84
O=C(C1CC2=CC=CC=C2C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212206	1	43	-1.0	-46.89	325.35	7.07	-39.82
CC(C(=O)N1CCCCC1CC1=N[N-]N=N1)C1=CC=CC([N+](=O)[O-])=C1	REAL300020212207	0	44	-1.0	-43.95	345.83	7.52	-36.43
CC(C(=O)N1CCCCC1CC1=NN=N[N-]1)C1=CC=CC([N+](=O)[O-])=C1	REAL300020212207	1	44	-1.0	-43.94	345.88	7.54	-36.40
COC1=CC=C2CCC(C(=O)N3CCCCC3CC3=N[N-]N=N3)C2=C1	REAL300020212208	0	47	-1.0	-50.46	352.29	6.07	-44.39
COC1=CC=C2CCC(C(=O)N3CCCCC3CC3=NN=N[N-]3)C2=C1	REAL300020212208	1	47	-1.0	-50.54	352.33	6.03	-44.51
CCC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)CCCO1	REAL300020212209	0	44	-1.0	-42.12	318.46	5.02	-37.10
CCC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)CCCO1	REAL300020212209	1	44	-1.0	-42.12	318.50	5.01	-37.11
O=C(C1=CC(Br)=C(F)C=C1F)N1CCCCC1CC1=N[N-]N=N1	REAL300020212210	0	36	-1.0	-45.69	310.30	6.04	-39.65
O=C(C1=CC(Br)=C(F)C=C1F)N1CCCCC1CC1=NN=N[N-]1	REAL300020212210	1	36	-1.0	-45.73	310.30	6.07	-39.66
O=C(C1=CNN=C1[N+](=O)[O-])N1CCCCC1CC1=N[N-]N=N1	REAL300020212211	0	35	-1.0	-55.69	284.50	3.99	-51.70
O=C(C1=CNN=C1[N+](=O)[O-])N1CCCCC1CC1=NN=N[N-]1	REAL300020212211	1	35	-1.0	-55.73	284.52	4.01	-51.72
O=C(N1CCCCC1CC1=N[N-]N=N1)C(F)(F)C1(O)CCCC1	REAL300020212212	0	43	-1.0	-41.51	315.48	4.04	-37.47
O=C(N1CCCCC1CC1=NN=N[N-]1)C(F)(F)C1(O)CCCC1	REAL300020212212	1	43	-1.0	-41.55	315.55	4.06	-37.49
O=C(C#CC1=CC=C(C(F)(F)F)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212213	0	41	-1.0	-44.59	354.48	7.76	-36.83
O=C(C#CC1=CC=C(C(F)(F)F)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212213	1	41	-1.0	-44.62	354.54	7.77	-36.85
CCN1C=C([N+](=O)[O-])C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020212214	0	41	-1.0	-59.81	326.70	5.85	-53.96
CCN1C=C([N+](=O)[O-])C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020212214	1	41	-1.0	-59.81	326.64	5.83	-53.98
CC1=CSC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1Cl	REAL300020212215	0	36	-1.0	-51.69	306.09	5.77	-45.92
CC1=CSC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1Cl	REAL300020212215	1	36	-1.0	-51.66	306.17	5.77	-45.89
O=C(N1CCCCC1CC1=N[N-]N=N1)C(F)(F)C1CCOCC1	REAL300020212216	0	43	-1.0	-43.17	321.58	4.27	-38.90
O=C(N1CCCCC1CC1=NN=N[N-]1)C(F)(F)C1CCOCC1	REAL300020212216	1	43	-1.0	-43.21	321.64	4.27	-38.94
COC1=CC(OC2CC2)=CC=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020212217	0	48	-1.0	-54.76	364.07	6.27	-48.49
COC1=CC(OC2CC2)=CC=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020212217	1	48	-1.0	-54.74	364.12	6.28	-48.46
O=C(C1=CC=C(C2CCC2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212218	0	46	-1.0	-48.51	345.85	7.99	-40.52
O=C(C1=CC=C(C2CCC2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212218	1	46	-1.0	-48.50	345.89	8.00	-40.50
O=C(CCC1=CC=CC=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212219	0	41	-1.0	-47.35	323.29	5.08	-42.27
O=C(CCC1=CC=CC=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212219	1	41	-1.0	-47.32	323.36	5.09	-42.23
O=C(N1CCCCC1CC1=NN=N[N-]1)C(F)(F)C1=NC=CS1	REAL300020212220	0	35	-1.0	-47.12	296.86	3.65	-43.47
O=C(N1CCCCC1CC1=N[N-]N=N1)C(F)(F)C1=NC=CS1	REAL300020212220	1	35	-1.0	-47.08	296.81	3.63	-43.45
O=C(C1=CC(Cl)=CS1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212221	0	33	-1.0	-45.92	287.42	4.88	-41.04
O=C(C1=CC(Cl)=CS1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212221	1	33	-1.0	-45.90	287.48	4.87	-41.03
CN1N=C(Br)C=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020212222	0	36	-1.0	-39.62	306.17	3.86	-35.76
CN1N=C(Br)C=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020212222	1	36	-1.0	-39.60	306.13	3.84	-35.76
O=C(C1=CC(F)=C(C(F)(F)F)C(F)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212223	0	39	-1.0	-42.22	327.76	6.42	-35.80
O=C(C1=CC(F)=C(C(F)(F)F)C(F)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212223	1	39	-1.0	-42.26	327.80	6.45	-35.81
CC(C)CC1=CC=C([C@H](C)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020212224	0	54	-1.0	-48.68	395.13	9.41	-39.27
CC(C)CC1=CC=C([C@H](C)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020212224	1	54	-1.0	-48.67	395.17	9.43	-39.24
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O=C(C1=CC=CC(Br)=C1F)N1CCCCC1CC1=NN=N[N-]1	REAL300020212226	1	36	-1.0	-51.90	304.13	5.98	-45.92
O=C(CCC1=CC=NC=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212227	0	40	-1.0	-46.97	318.28	4.88	-42.09
O=C(CCC1=CC=NC=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212227	1	40	-1.0	-47.00	318.34	4.89	-42.11
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)N=C(Cl)S1	REAL300020212228	0	35	-1.0	-44.13	295.66	4.55	-39.58
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)N=C(Cl)S1	REAL300020212228	1	35	-1.0	-44.15	295.62	4.54	-39.61
O=C(N1CCCCC1CC1=N[N-]N=N1)C(F)(F)C1(O)CCCCC1	REAL300020212229	0	46	-1.0	-43.03	334.82	4.57	-38.46
O=C(N1CCCCC1CC1=NN=N[N-]1)C(F)(F)C1(O)CCCCC1	REAL300020212229	1	46	-1.0	-43.04	334.88	4.58	-38.46
COCCOC1=CC=C(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020212230	0	50	-1.0	-50.31	387.81	5.95	-44.36
COCCOC1=CC=C(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020212230	1	50	-1.0	-50.26	387.87	5.95	-44.31
CC(=O)NCC1CCN2N=CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=C2C1	REAL300020212231	0	53	-1.0	-57.86	398.25	3.92	-53.94
CC(=O)NCC1CCN2N=CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=C2C1	REAL300020212231	1	53	-1.0	-57.83	398.31	3.93	-53.90
C[NH+](C)C(CC(=O)N1CCCCC1CC1=N[N-]N=N1)C1=CC=CC=C1	REAL300020212232	0	51	0.0	-75.05	371.76	7.96	-67.09
C[NH+](C)C(CC(=O)N1CCCCC1CC1=NN=N[N-]1)C1=CC=CC=C1	REAL300020212232	1	51	0.0	-75.06	371.82	7.96	-67.10
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O=C(C(=O)N1CCCCC1CC1=NN=N[N-]1)C1=CC=C(Cl)S1	REAL300020212233	1	35	-1.0	-41.52	305.23	5.13	-36.39
O=C(C1=CN=C(OCC2=CC=CC=C2)C=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212234	0	48	-1.0	-47.47	381.80	5.03	-42.44
O=C(C1=CN=C(OCC2=CC=CC=C2)C=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212234	1	48	-1.0	-47.44	381.75	5.02	-42.42
CC1=C(Br)C=CC=C1CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020212235	0	42	-1.0	-47.82	338.12	7.49	-40.33
CC1=C(Br)C=CC=C1CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020212235	1	42	-1.0	-47.79	338.18	7.50	-40.29
CCC1=NN(C)C(CC)=C1CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020212236	0	51	-1.0	-54.30	375.65	5.91	-48.39
CCC1=NN(C)C(CC)=C1CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020212236	1	51	-1.0	-54.28	375.73	5.96	-48.32
CCOC1=C(Cl)C=CC=C1CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020212237	0	46	-1.0	-51.01	374.61	7.06	-43.95
CCOC1=C(Cl)C=CC=C1CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020212237	1	46	-1.0	-51.03	374.67	7.09	-43.94
O=C(C1=CC=C(C2=NNC=C2)S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212238	0	40	-1.0	-54.69	330.96	4.80	-49.89
O=C(C1=CC=C(C2=NNC=C2)S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212238	1	40	-1.0	-54.74	331.01	4.82	-49.92
CC1=CN2C=CN=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C2=N1	REAL300020212239	0	41	-1.0	-62.10	321.32	5.77	-56.33
CC1=CN2C=CN=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C2=N1	REAL300020212239	1	41	-1.0	-62.12	321.37	5.78	-56.34
C[C@H](OC1=CC=C(Cl)C=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020212240	0	43	-1.0	-52.06	343.00	6.95	-45.11
C[C@H](OC1=CC=C(Cl)C=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020212240	1	43	-1.0	-52.03	343.05	6.99	-45.04
O=C(CCOCC(F)(F)C(F)(F)F)N1CCCCC1CC1=N[N-]N=N1	REAL300020212241	0	42	-1.0	-44.10	348.51	5.08	-39.02
O=C(CCOCC(F)(F)C(F)(F)F)N1CCCCC1CC1=NN=N[N-]1	REAL300020212241	1	42	-1.0	-44.08	348.55	5.09	-38.99
CCC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C(O)=C1	REAL300020212242	0	43	-1.0	-48.65	330.74	4.63	-44.02
CCC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C(O)=C1	REAL300020212242	1	43	-1.0	-48.65	330.71	4.66	-43.99
O=C(C1=CC=C2NC3=CC=CC=C3C(=O)C2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212243	0	48	-1.0	-59.51	377.65	7.39	-52.12
O=C(C1=CC=C2NC3=CC=CC=C3C(=O)C2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212243	1	48	-1.0	-59.51	377.68	7.39	-52.12
CC(C)(C)OC(=O)NCC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CO1	REAL300020212244	0	53	-1.0	-50.77	407.06	4.12	-46.65
CC(C)(C)OC(=O)NCC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CO1	REAL300020212244	1	53	-1.0	-50.76	407.04	4.12	-46.64
CC(C)(C)OC(=O)N1CCC2(CC2C(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020212245	0	57	-1.0	-46.89	420.61	7.14	-39.75
CC(C)(C)OC(=O)N1CCC2(CC2C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020212245	1	57	-1.0	-46.88	420.63	7.16	-39.72
CCC(=O)C1=CC=C(OCCCCC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020212246	0	57	-1.0	-50.07	438.87	8.91	-41.16
CCC(=O)C1=CC=C(OCCCCC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020212246	1	57	-1.0	-50.07	438.91	8.92	-41.15
O=C(C1=CN=CC(Cl)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212247	0	34	-1.0	-44.77	284.76	2.97	-41.80
O=C(C1=CN=CC(Cl)=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212247	1	34	-1.0	-44.77	284.71	2.97	-41.80
O=C(C1=CN(CC(F)(F)F)N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212248	0	39	-1.0	-53.05	324.11	4.46	-48.59
O=C(C1=CN(CC(F)(F)F)N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212248	1	39	-1.0	-52.53	321.32	4.23	-48.30
CC(OC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1)C1=CC=CC=C1	REAL300020212249	0	53	-1.0	-53.41	405.30	9.12	-44.29
CC(OC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1)C1=CC=CC=C1	REAL300020212249	1	53	-1.0	-53.42	405.35	9.12	-44.30
CC(=O)NC1=CC=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1C	REAL300020212250	0	46	-1.0	-46.15	353.72	5.52	-40.63
CC(=O)NC1=CC=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1C	REAL300020212250	1	46	-1.0	-46.14	353.77	5.52	-40.62
CC(=O)NC1=CC=C(C)C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020212251	0	46	-1.0	-42.48	357.01	5.36	-37.12
CC(=O)NC1=CC=C(C)C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020212251	1	46	-1.0	-42.49	357.05	5.38	-37.11
CC(C)(C)OC(=O)NCCCCCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020212252	0	58	-1.0	-50.66	434.09	5.56	-45.10
CC(C)(C)OC(=O)NCCCCCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020212252	1	58	-1.0	-50.64	434.14	5.57	-45.07
O=C(C1=CSC(Cl)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212253	0	33	-1.0	-46.35	286.71	5.01	-41.34
O=C(C1=CSC(Cl)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212253	1	33	-1.0	-46.37	286.76	5.02	-41.35
CC(C)C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1Cl	REAL300020212254	0	45	-1.0	-47.17	353.72	7.74	-39.43
CC(C)C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1Cl	REAL300020212254	1	45	-1.0	-47.17	353.75	7.74	-39.43
O=C(C1=CC(N2CCNC(=O)C2)=CC=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212255	0	48	-1.0	-59.15	363.64	1.71	-57.44
O=C(C1=CC(N2CCNC(=O)C2)=CC=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212255	1	48	-1.0	-59.16	363.69	1.71	-57.45
CCCN1C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC2=CC=CC=C21	REAL300020212256	0	49	-1.0	-49.14	369.76	8.52	-40.62
CCCN1C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC2=CC=CC=C21	REAL300020212256	1	49	-1.0	-49.13	369.82	8.54	-40.59
O=C(CC1CCC2(CC1)OCCO2)N1CCCCC1CC1=N[N-]N=N1	REAL300020212257	0	51	-1.0	-48.94	373.29	5.22	-43.72
O=C(CC1CCC2(CC1)OCCO2)N1CCCCC1CC1=NN=N[N-]1	REAL300020212257	1	51	-1.0	-48.95	373.35	5.25	-43.70
COC1CCC(C(=O)N2CCCCC2CC2=N[N-]N=N2)CC1	REAL300020212258	0	46	-1.0	-48.37	335.48	4.84	-43.53
COC1CCC(C(=O)N2CCCCC2CC2=NN=N[N-]2)CC1	REAL300020212258	1	46	-1.0	-48.33	335.53	4.86	-43.47
CC1=CC=C(C2=NNC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=C2)C=C1C	REAL300020212259	0	49	-1.0	-50.03	376.91	7.04	-42.99
CC1=CC=C(C2=NNC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=C2)C=C1C	REAL300020212259	1	49	-1.0	-50.00	376.99	7.05	-42.95
CCCC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1Cl	REAL300020212260	0	45	-1.0	-46.12	357.05	7.95	-38.17
CCCC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1Cl	REAL300020212260	1	45	-1.0	-46.14	357.08	7.96	-38.18
O=C(C1=CNC=C(F)C1=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020212261	0	36	-1.0	-68.43	288.03	3.17	-65.26
O=C(C1=CNC=C(F)C1=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020212261	1	36	-1.0	-68.22	287.94	3.17	-65.05
O=C(C1=CN(C2=CC=CC(Cl)=C2)N=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212262	0	42	-1.0	-47.59	349.79	6.18	-41.41
O=C(C1=CN(C2=CC=CC(Cl)=C2)N=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212262	1	42	-1.0	-47.62	349.73	6.17	-41.45
CCN1C=C(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020212263	0	42	-1.0	-52.17	332.34	4.76	-47.41
CCN1C=C(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020212263	1	42	-1.0	-52.18	332.28	4.74	-47.44
O=C(C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1)C1=CC=CC(O)=C1	REAL300020212264	0	49	-1.0	-51.01	385.50	5.59	-45.42
O=C(C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1)C1=CC=CC(O)=C1	REAL300020212264	1	49	-1.0	-51.08	385.57	5.59	-45.49
O=C(C1=CNC(=O)C2=CC=CC=C12)N1CCCCC1CC1=N[N-]N=N1	REAL300020212265	0	42	-1.0	-48.60	332.32	4.72	-43.88
O=C(C1=CNC(=O)C2=CC=CC=C12)N1CCCCC1CC1=NN=N[N-]1	REAL300020212265	1	42	-1.0	-48.61	332.37	4.74	-43.87
COC1=CC=C(SCCCC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020212266	0	50	-1.0	-51.56	394.26	7.76	-43.80
COC1=CC=C(SCCCC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020212266	1	50	-1.0	-51.58	394.31	7.77	-43.81
CN(CC(=O)N1CCCCC1CC1=N[N-]N=N1)C1CCS(=O)(=O)C1	REAL300020212267	0	47	-1.0	-54.23	356.54	0.44	-53.79
CN(CC(=O)N1CCCCC1CC1=NN=N[N-]1)C1CCS(=O)(=O)C1	REAL300020212267	1	47	-1.0	-54.25	356.59	0.44	-53.81
COC1=CC=CC(CC(O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020212268	0	47	-1.0	-50.40	360.03	3.90	-46.50
COC1=CC=CC(CC(O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020212268	1	47	-1.0	-50.46	360.08	3.91	-46.55
O=C(CC1=CC(C(F)(F)F)=CC(Cl)=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212269	0	41	-1.0	-52.30	356.29	5.96	-46.34
O=C(CC1=CC(C(F)(F)F)=CC(Cl)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212269	1	41	-1.0	-52.32	356.35	5.98	-46.34
CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020212270	0	50	-1.0	-61.29	372.92	5.49	-55.80
CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020212270	1	50	-1.0	-61.29	372.98	5.49	-55.80
CC1C(C(=O)N2CCCCC2CC2=N[N-]N=N2)CCN1C(=O)OC(C)(C)C	REAL300020212271	0	56	-1.0	-50.52	409.43	5.96	-44.56
CC1C(C(=O)N2CCCCC2CC2=NN=N[N-]2)CCN1C(=O)OC(C)(C)C	REAL300020212271	1	56	-1.0	-50.50	409.49	5.97	-44.53
CC(C)N1C=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020212272	0	42	-1.0	-49.14	320.43	4.51	-44.63
CC(C)N1C=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020212272	1	42	-1.0	-49.16	320.47	4.52	-44.64
O=C(CC1=CC=C(Br)C(Cl)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212273	0	39	-1.0	-49.61	339.40	7.57	-42.04
O=C(CC1=CC=C(Br)C(Cl)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212273	1	39	-1.0	-49.58	339.46	7.58	-42.00
NC(=O)C1CCCC(C(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020212274	0	46	-1.0	-63.26	337.41	2.34	-60.92
NC(=O)C1CCCC(C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020212274	1	46	-1.0	-63.17	337.43	2.35	-60.82
CCC1=CC=CC=C1CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020212275	0	45	-1.0	-47.84	343.37	7.19	-40.65
CCC1=CC=CC=C1CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020212275	1	45	-1.0	-47.81	343.45	7.20	-40.61
CC1=CN(C2=C(F)C=CC=C2F)N=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020212276	0	46	-1.0	-56.06	361.59	7.91	-48.15
CC1=CN(C2=C(F)C=CC=C2F)N=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020212276	1	46	-1.0	-56.07	361.54	7.90	-48.17
O=C(CCCC1=CC=C(O)C(F)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212277	0	46	-1.0	-53.03	363.42	5.31	-47.72
O=C(CCCC1=CC=C(O)C(F)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212277	1	46	-1.0	-53.00	363.47	5.32	-47.68
CC1=CC=C(Br)N=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020212278	0	38	-1.0	-43.38	318.85	4.91	-38.47
CC1=CC=C(Br)N=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020212278	1	38	-1.0	-43.39	318.79	4.91	-38.48
COC(=O)C1=CC(O)=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020212279	0	43	-1.0	-50.74	348.11	3.34	-47.40
COC(=O)C1=CC(O)=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020212279	1	43	-1.0	-50.70	348.15	3.37	-47.33
O=C(C1=NOC2=C1CCCCC2)N1CCCCC1CC1=N[N-]N=N1	REAL300020212280	0	45	-1.0	-49.18	329.21	6.42	-42.76
O=C(C1=NOC2=C1CCCCC2)N1CCCCC1CC1=NN=N[N-]1	REAL300020212280	1	45	-1.0	-49.17	329.26	6.43	-42.74
CC(=O)[C@@H]1C[C@H](C(=O)N2CCCCC2CC2=N[N-]N=N2)C1(C)C	REAL300020212281	0	47	-1.0	-58.02	322.05	6.48	-51.54
CC(=O)[C@@H]1C[C@H](C(=O)N2CCCCC2CC2=NN=N[N-]2)C1(C)C	REAL300020212281	1	47	-1.0	-58.05	322.11	6.49	-51.56
COC1=CC(C)=CC=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020212282	0	43	-1.0	-53.52	327.73	5.93	-47.59
COC1=CC(C)=CC=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020212282	1	43	-1.0	-53.49	327.70	5.95	-47.54
O=C(C1=CC(Cl)=NC=C1Cl)N1CCCCC1CC1=NN=N[N-]1	REAL300020212283	0	35	-1.0	-44.85	303.45	4.48	-40.37
O=C(C1=CC(Cl)=NC=C1Cl)N1CCCCC1CC1=N[N-]N=N1	REAL300020212283	1	35	-1.0	-44.85	303.42	4.47	-40.38
O=C(C1=CC=NC(F)=C1F)N1CCCCC1CC1=NN=N[N-]1	REAL300020212284	0	35	-1.0	-51.49	284.39	3.58	-47.91
O=C(C1=CC=NC(F)=C1F)N1CCCCC1CC1=N[N-]N=N1	REAL300020212284	1	35	-1.0	-51.45	284.36	3.58	-47.87
CC(=O)CC(C)(C)CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020212285	0	46	-1.0	-53.36	328.82	5.98	-47.38
CC(=O)CC(C)(C)CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020212285	1	46	-1.0	-53.45	328.91	5.99	-47.46
N#CC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1O	REAL300020212286	0	38	-1.0	-48.48	311.33	2.96	-45.52
N#CC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1O	REAL300020212286	1	38	-1.0	-48.48	311.37	2.98	-45.50
N#CC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1[O-]	REAL300020212286	1	37	-2.0	-102.21	309.91	3.91	-98.30
N#CC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1[O-]	REAL300020212286	1	37	-2.0	-102.20	309.95	3.92	-98.28
COC1=CC=C(OC)C(C2CC2C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020212287	0	51	-1.0	-51.52	384.79	5.91	-45.61
COC1=CC=C(OC)C(C2CC2C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020212287	1	51	-1.0	-51.54	384.85	5.92	-45.62
COC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CN=C1Br	REAL300020212288	0	39	-1.0	-45.63	325.62	3.43	-42.20
COC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CN=C1Br	REAL300020212288	1	39	-1.0	-45.61	325.59	3.42	-42.19
COCCN1N=CC=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020212289	0	43	-1.0	-50.02	333.58	3.13	-46.89
COCCN1N=CC=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020212289	1	43	-1.0	-50.00	333.45	3.09	-46.91
CC(C)(CC(=O)N1CCCCC1CC1=N[N-]N=N1)CC1=CC=C(Cl)C=C1	REAL300020212290	0	51	-1.0	-47.72	384.32	9.34	-38.38
CC(C)(CC(=O)N1CCCCC1CC1=NN=N[N-]1)CC1=CC=C(Cl)C=C1	REAL300020212290	1	51	-1.0	-47.73	384.35	9.36	-38.37
COC(=O)C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C(F)=C1	REAL300020212291	0	42	-1.0	-49.93	338.23	6.02	-43.91
COC(=O)C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C(F)=C1	REAL300020212291	1	42	-1.0	-49.93	338.20	6.03	-43.90
CC[C@H]1CC[C@H](C(=O)N2CCCCC2CC2=N[N-]N=N2)CC1	REAL300020212292	0	48	-1.0	-50.09	341.63	7.09	-43.00
CC[C@H]1CC[C@H](C(=O)N2CCCCC2CC2=NN=N[N-]2)CC1	REAL300020212292	1	48	-1.0	-50.05	341.69	7.11	-42.94
CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020212293	0	54	-1.0	-48.07	400.04	4.65	-43.42
CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020212293	1	54	-1.0	-48.00	400.09	4.67	-43.33
COC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=NN1C1=CC=CC=C1	REAL300020212294	0	47	-1.0	-55.79	377.84	5.15	-50.64
COC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=NN1C1=CC=CC=C1	REAL300020212294	1	47	-1.0	-55.77	377.70	5.14	-50.63
CC1=CC2=C(C=C1C)C(C(=O)N1CCCCC1CC1=N[N-]N=N1)CO2	REAL300020212295	0	47	-1.0	-51.22	353.81	6.15	-45.07
CC1=CC2=C(C=C1C)C(C(=O)N1CCCCC1CC1=NN=N[N-]1)CO2	REAL300020212295	1	47	-1.0	-51.22	353.87	6.16	-45.06
O=C(C1=CC=C(OC(F)F)C=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212296	0	39	-1.0	-49.85	312.45	3.97	-45.88
O=C(C1=CC=C(OC(F)F)C=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212296	1	39	-1.0	-49.83	312.39	3.97	-45.86
CC1=C(Br)SC=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020212297	0	36	-1.0	-46.13	308.50	5.59	-40.54
CC1=C(Br)SC=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020212297	1	36	-1.0	-46.12	308.49	5.61	-40.51
CCOC(=O)CON=C(C(=O)N1CCCCC1CC1=N[N-]N=N1)C1=CC=NN1	REAL300020212298	0	49	-1.0	-48.60	391.85	4.84	-43.76
CCOC(=O)CON=C(C(=O)N1CCCCC1CC1=NN=N[N-]1)C1=CC=NN1	REAL300020212298	1	49	-1.0	-48.68	391.91	4.84	-43.84
CN1C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC2=C1N=C1C=CC=CN1C2=O	REAL300020212299	0	48	-1.0	-58.08	373.18	7.65	-50.43
CN1C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC2=C1N=C1C=CC=CN1C2=O	REAL300020212299	1	48	-1.0	-58.11	373.10	7.64	-50.47
CC1CN(C2=CC=NC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=C2)CC(C)O1	REAL300020212300	0	54	-1.0	-50.96	399.79	4.76	-46.20
CC1CN(C2=CC=NC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=C2)CC(C)O1	REAL300020212300	1	54	-1.0	-51.01	399.85	4.77	-46.24
COC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)NC(=O)NC1=O	REAL300020212301	0	40	-1.0	-38.22	322.49	1.09	-37.13
COC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)NC(=O)NC1=O	REAL300020212301	1	40	-1.0	-38.19	322.51	1.11	-37.08
COC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)NC(=O)[N-]C1=O	REAL300020212301	1	39	-2.0	-97.48	319.51	-2.08	-99.56
O=C(CC1=C2CCCCC2=NN1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212302	0	46	-1.0	-52.24	350.55	4.78	-47.46
O=C(CC1=C2CCCCC2=NN1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212302	1	46	-1.0	-52.22	350.61	4.81	-47.41
O=C(C1=CN=C(Cl)C(C2CC2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212303	0	42	-1.0	-45.58	338.70	5.97	-39.61
O=C(C1=CN=C(Cl)C(C2CC2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212303	1	42	-1.0	-45.53	338.66	5.96	-39.57
CC(=O)C1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C(C)N=C1C	REAL300020212304	0	46	-1.0	-45.95	349.23	5.37	-40.58
CC(=O)C1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C(C)N=C1C	REAL300020212304	1	46	-1.0	-45.96	349.28	5.37	-40.59
O=C(C1=NN(CC2=CC=CC=C2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212305	0	46	-1.0	-53.74	362.81	7.65	-46.09
O=C(C1=NN(CC2=CC=CC=C2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212305	1	46	-1.0	-53.76	362.76	7.64	-46.12
COCCN1C=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020212306	0	43	-1.0	-52.36	336.09	3.73	-48.63
COCCN1C=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020212306	1	43	-1.0	-52.41	336.04	3.72	-48.69
COC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=NN1C	REAL300020212307	0	40	-1.0	-53.47	304.66	2.11	-51.36
COC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=NN1C	REAL300020212307	1	40	-1.0	-53.48	304.61	2.11	-51.37
O=C(C(O)C(O)C1=NC2=CC=CC=C2N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212308	0	47	-1.0	-55.06	363.78	0.95	-54.11
O=C(C(O)C(O)C1=NC2=CC=CC=C2N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212308	1	47	-1.0	-55.07	363.81	0.96	-54.11
CNC(=O)CCCCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020212309	0	45	-1.0	-50.48	345.69	3.34	-47.14
CNC(=O)CCCCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020212309	1	45	-1.0	-50.47	345.74	3.34	-47.13
O=C(C(O)C1CCCCC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212310	0	46	-1.0	-47.89	327.42	4.24	-43.65
O=C(C(O)C1CCCCC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212310	1	46	-1.0	-47.87	327.47	4.26	-43.61
CC1=CC=C(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1Br	REAL300020212311	0	42	-1.0	-48.09	346.39	7.36	-40.73
CC1=CC=C(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1Br	REAL300020212311	1	42	-1.0	-48.05	346.45	7.38	-40.67
O=C(CCCCN1CCOCC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212312	0	51	-1.0	-48.48	379.29	3.16	-45.32
O=C(CCCCN1CCOCC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212312	1	51	-1.0	-48.45	379.35	3.17	-45.28
O=C(CCCC[NH+]1CCOCC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212312	1	52	0.0	-63.90	376.93	5.77	-58.13
O=C(CCCC[NH+]1CCOCC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212312	1	52	0.0	-63.89	376.99	5.78	-58.11
O=C(C1=C2C=NC=CN2N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212313	0	38	-1.0	-54.44	305.79	3.36	-51.08
O=C(C1=C2C=NC=CN2N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212313	1	38	-1.0	-54.49	305.71	3.32	-51.17
CS(=O)C1=CC=CC=C1CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020212314	0	44	-1.0	-60.48	355.38	4.52	-55.96
CS(=O)C1=CC=CC=C1CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020212314	1	44	-1.0	-60.46	355.44	4.55	-55.91
CC(=O)CCC1=CC=C(OCC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020212315	0	51	-1.0	-57.41	399.67	8.23	-49.18
CC(=O)CCC1=CC=C(OCC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020212315	1	51	-1.0	-57.41	399.72	8.26	-49.15
COC1=CC=C(OC)C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020212316	0	48	-1.0	-50.16	371.13	2.53	-47.63
COC1=CC=C(OC)C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020212316	1	48	-1.0	-50.19	371.18	2.53	-47.66
O=C(C1=CC=C(C(F)(F)F)C(F)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212317	0	39	-1.0	-44.59	324.16	6.44	-38.15
O=C(C1=CC=C(C(F)(F)F)C(F)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212317	1	39	-1.0	-44.63	324.19	6.44	-38.19
CC(C)C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL300020212318	0	47	-1.0	-49.76	364.81	7.83	-41.93
CC(C)C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL300020212318	1	47	-1.0	-49.72	364.86	7.83	-41.89
O=C(CC1=CC=C(Br)C=C1O)N1CCCCC1CC1=N[N-]N=N1	REAL300020212319	0	40	-1.0	-51.72	338.84	3.87	-47.85
O=C(CC1=CC=C(Br)C=C1O)N1CCCCC1CC1=NN=N[N-]1	REAL300020212319	1	40	-1.0	-51.74	338.91	3.88	-47.86
CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020212320	0	54	-1.0	-48.22	399.83	4.81	-43.41
CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020212320	1	54	-1.0	-48.19	399.89	4.82	-43.37
O=C(CC1=CC2=NNC=C2C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212321	0	42	-1.0	-56.14	334.22	4.80	-51.34
O=C(CC1=CC2=NNC=C2C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212321	1	42	-1.0	-56.20	334.28	4.82	-51.38
CN1C=NC=C1CCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020212322	0	42	-1.0	-48.65	329.65	5.98	-42.67
CN1C=NC=C1CCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020212322	1	42	-1.0	-48.69	329.72	5.98	-42.71
O=C(C1=CSC(C(F)(F)F)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212323	0	35	-1.0	-44.85	303.60	4.30	-40.55
O=C(C1=CSC(C(F)(F)F)=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212323	1	35	-1.0	-44.86	303.54	4.29	-40.57
CC1=NC(C#N)=C(N2CCC(C(=O)N3CCCCC3CC3=N[N-]N=N3)CC2)O1	REAL300020212324	0	51	-1.0	-56.43	390.27	2.07	-54.36
CC1=NC(C#N)=C(N2CCC(C(=O)N3CCCCC3CC3=NN=N[N-]3)CC2)O1	REAL300020212324	1	51	-1.0	-56.42	390.32	2.09	-54.33
CN(C)C1=CC=CC(CCC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020212325	0	50	-1.0	-49.24	376.01	7.65	-41.59
CN(C)C1=CC=CC(CCC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020212325	1	50	-1.0	-49.25	376.06	7.65	-41.60
CN1N=C([N+](=O)[O-])C=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020212326	0	38	-1.0	-42.45	309.42	4.76	-37.69
CN1N=C([N+](=O)[O-])C=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020212326	1	38	-1.0	-42.46	309.30	4.77	-37.69
COC1=NC(C)=C(Br)C=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020212327	0	42	-1.0	-50.51	341.78	3.78	-46.73
COC1=NC(C)=C(Br)C=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020212327	1	42	-1.0	-50.50	341.81	3.80	-46.70
CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020212328	0	52	-1.0	-44.75	379.05	3.74	-41.01
CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020212328	1	52	-1.0	-44.78	379.10	3.75	-41.03
O=C(C1=C([O-])C=CC=C1F)N1CCCCC1CC1=N[N-]N=N1	REAL300020212329	0	36	-2.0	-110.38	296.36	3.65	-106.73
O=C(C1=C(O)C=CC=C1F)N1CCCCC1CC1=N[N-]N=N1	REAL300020212329	1	37	-1.0	-53.02	303.52	2.58	-50.44
O=C(C1=C([O-])C=CC=C1F)N1CCCCC1CC1=NN=N[N-]1	REAL300020212329	1	36	-2.0	-110.36	296.41	3.67	-106.69
O=C(C1=C(O)C=CC=C1F)N1CCCCC1CC1=NN=N[N-]1	REAL300020212329	1	37	-1.0	-53.00	303.58	2.60	-50.40
COCCOC1=CC=CC(C=CC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020212330	0	51	-1.0	-54.93	396.64	6.41	-48.52
COCCOC1=CC=CC(C=CC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020212330	1	51	-1.0	-54.91	396.69	6.42	-48.49
CC(OC1=CC=C(C(F)(F)F)C=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020212331	0	46	-1.0	-51.17	364.81	7.38	-43.79
CC(OC1=CC=C(C(F)(F)F)C=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020212331	1	46	-1.0	-51.18	364.86	7.39	-43.79
CC(C(=O)N1CCCCC1CC1=N[N-]N=N1)C1=CN(C)C2=CC=CC=C12	REAL300020212332	0	49	-1.0	-51.30	371.09	8.62	-42.68
CC(C(=O)N1CCCCC1CC1=NN=N[N-]1)C1=CN(C)C2=CC=CC=C12	REAL300020212332	1	49	-1.0	-51.33	371.16	8.61	-42.72
COC1=CC(C)=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1Cl	REAL300020212333	0	43	-1.0	-41.88	346.93	6.40	-35.48
COC1=CC(C)=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1Cl	REAL300020212333	1	43	-1.0	-41.83	346.98	6.41	-35.42
CC1=CN=CC(CC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020212334	0	41	-1.0	-49.87	319.57	5.36	-44.51
CC1=CN=CC(CC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020212334	1	41	-1.0	-49.92	319.62	5.37	-44.55
CCCCN1C=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C(C)=N1	REAL300020212335	0	48	-1.0	-52.06	362.30	5.98	-46.08
CCCCN1C=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C(C)=N1	REAL300020212335	1	48	-1.0	-52.12	362.32	6.00	-46.12
CN1N=C2C=CC=CC2=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020212336	0	42	-1.0	-44.23	326.88	5.84	-38.39
CN1N=C2C=CC=CC2=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020212336	1	42	-1.0	-44.23	326.85	5.82	-38.41
CCOC1=C2C(CC(=O)N3CCCCC3CC3=N[N-]N=N3)=CNC2=CC=C1	REAL300020212337	0	50	-1.0	-52.66	388.80	6.50	-46.16
CCOC1=C2C(CC(=O)N3CCCCC3CC3=NN=N[N-]3)=CNC2=CC=C1	REAL300020212337	1	50	-1.0	-52.67	388.86	6.52	-46.15
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)OC(CC2CC2)=N1	REAL300020212338	0	45	-1.0	-48.12	347.67	4.09	-44.03
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)OC(CC2CC2)=N1	REAL300020212338	1	45	-1.0	-48.15	347.72	4.09	-44.06
CCOC1CC(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020212339	0	46	-1.0	-51.07	350.02	5.21	-45.86
CCOC1CC(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020212339	1	46	-1.0	-51.04	350.08	5.23	-45.81
O=C(C1=CC=CC(O)=C1O)N1CCCCC1CC1=N[N-]N=N1	REAL300020212340	0	38	-1.0	-49.85	298.60	1.01	-48.84
O=C(C1=CC=CC(O)=C1O)N1CCCCC1CC1=NN=N[N-]1	REAL300020212340	1	38	-1.0	-49.82	298.56	1.01	-48.81
O=C(C1=CNC(=O)C([N+](=O)[O-])=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212341	0	38	-1.0	-53.17	311.13	3.97	-49.20
O=C(C1=CNC(=O)C([N+](=O)[O-])=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212341	1	38	-1.0	-53.20	311.17	3.97	-49.23
O=C(C1=C[N-]C(=O)C([N+](=O)[O-])=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212341	1	37	-2.0	-93.87	307.87	2.85	-91.02
O=C(C1=C[N-]C(=O)C([N+](=O)[O-])=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212341	1	37	-2.0	-93.89	307.92	2.86	-91.03
CC(C)(C)C1=CN=C(CCC(=O)N2CCCCC2CC2=N[N-]N=N2)O1	REAL300020212342	0	50	-1.0	-47.32	387.67	4.34	-42.98
CC(C)(C)C1=CN=C(CCC(=O)N2CCCCC2CC2=NN=N[N-]2)O1	REAL300020212342	1	50	-1.0	-47.34	387.74	4.35	-42.99
O=C(CC1=CC=C(F)C=C1Br)N1CCCCC1CC1=N[N-]N=N1	REAL300020212343	0	39	-1.0	-47.84	332.33	6.63	-41.21
O=C(CC1=CC=C(F)C=C1Br)N1CCCCC1CC1=NN=N[N-]1	REAL300020212343	1	39	-1.0	-47.85	332.40	6.64	-41.21
O=C(C1=NNC2=C1CCCCC2)N1CCCCC1CC1=N[N-]N=N1	REAL300020212344	0	46	-1.0	-53.27	332.49	5.34	-47.93
O=C(C1=NNC2=C1CCCCC2)N1CCCCC1CC1=NN=N[N-]1	REAL300020212344	1	46	-1.0	-53.26	332.55	5.36	-47.90
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)SC(CC2CC2)=N1	REAL300020212345	0	45	-1.0	-48.27	358.28	6.20	-42.07
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)SC(CC2CC2)=N1	REAL300020212345	1	45	-1.0	-48.25	358.34	6.21	-42.04
CC1=C(C)C=C2C(C(=O)N3CCCCC3CC3=N[N-]N=N3)=COC2=C1	REAL300020212346	0	45	-1.0	-58.09	349.61	7.01	-51.08
CC1=C(C)C=C2C(C(=O)N3CCCCC3CC3=NN=N[N-]3)=COC2=C1	REAL300020212346	1	45	-1.0	-57.91	349.72	7.03	-50.88
CC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=NC(C(F)(F)F)=N1	REAL300020212347	0	40	-1.0	-44.83	330.67	5.19	-39.64
CC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=NC(C(F)(F)F)=N1	REAL300020212347	1	40	-1.0	-44.87	330.73	5.21	-39.66
COCC1=CC=CC(CC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020212348	0	46	-1.0	-53.77	358.34	6.22	-47.55
COCC1=CC=CC(CC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020212348	1	46	-1.0	-53.78	358.39	6.23	-47.55
COCCOC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C(Cl)=C1	REAL300020212349	0	47	-1.0	-50.69	376.81	5.31	-45.38
COCCOC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C(Cl)=C1	REAL300020212349	1	47	-1.0	-50.66	376.76	5.30	-45.36
O=C(CCCC1=CC=CC(C(F)(F)F)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212350	0	48	-1.0	-51.68	384.72	9.02	-42.66
O=C(CCCC1=CC=CC(C(F)(F)F)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212350	1	48	-1.0	-51.64	384.77	9.03	-42.61
O=C(C1=CN2C=C(C(F)(F)F)N=C2C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212351	0	42	-1.0	-47.30	344.92	6.85	-40.45
O=C(C1=CN2C=C(C(F)(F)F)N=C2C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212351	1	42	-1.0	-47.28	344.90	6.85	-40.43
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)SC(C2=CC=CC=C2C)=N1	REAL300020212352	0	48	-1.0	-49.80	378.51	8.08	-41.72
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)SC(C2=CC=CC=C2C)=N1	REAL300020212352	1	48	-1.0	-49.80	378.56	8.09	-41.71
COC1=NC=C(C=CC(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020212353	0	42	-1.0	-49.51	333.96	1.64	-47.87
COC1=NC=C(C=CC(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020212353	1	42	-1.0	-49.57	334.01	1.65	-47.92
CN1N=CC=C1CCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020212354	0	42	-1.0	-47.18	329.38	4.40	-42.78
CN1N=CC=C1CCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020212354	1	42	-1.0	-47.18	329.44	4.40	-42.78
CCCCOC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C(Cl)=C1	REAL300020212355	0	49	-1.0	-48.03	386.18	7.62	-40.41
CCCCOC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C(Cl)=C1	REAL300020212355	1	49	-1.0	-47.99	386.13	7.62	-40.37
CC(C)S(=O)(=O)C1=CC=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020212356	0	48	-1.0	-58.15	379.51	4.39	-53.76
CC(C)S(=O)(=O)C1=CC=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020212356	1	48	-1.0	-58.15	379.54	4.38	-53.77
O=C(CCC1=CC=CC2=C1OCO2)N1CCCCC1CC1=N[N-]N=N1	REAL300020212357	0	45	-1.0	-53.64	350.29	5.91	-47.73
O=C(CCC1=CC=CC2=C1OCO2)N1CCCCC1CC1=NN=N[N-]1	REAL300020212357	1	45	-1.0	-53.65	350.34	5.92	-47.73
CN(C)S(=O)(=O)C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020212358	0	46	-1.0	-49.52	371.51	1.40	-48.12
CN(C)S(=O)(=O)C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020212358	1	46	-1.0	-49.53	371.49	1.39	-48.14
CNS(=O)(=O)C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020212359	0	43	-1.0	-50.03	352.51	-0.41	-50.44
CNS(=O)(=O)C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020212359	1	43	-1.0	-49.98	352.48	-0.42	-50.40
CCSCC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=NO1	REAL300020212360	0	42	-1.0	-49.98	342.29	6.22	-43.76
CCSCC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=NO1	REAL300020212360	1	42	-1.0	-49.98	342.35	6.23	-43.75
O=C(C1=CN=C(C(F)(F)F)N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212361	0	37	-1.0	-42.77	310.38	3.72	-39.05
O=C(C1=CN=C(C(F)(F)F)N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212361	1	37	-1.0	-42.77	310.34	3.71	-39.06
CN(C)C1=NOC(CCC(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020212362	0	45	-1.0	-48.18	351.66	5.16	-43.02
CN(C)C1=NOC(CCC(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020212362	1	45	-1.0	-48.18	351.71	5.17	-43.01
CC(C)(C)OCC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=NO1	REAL300020212363	0	48	-1.0	-49.55	365.93	5.29	-44.26
CC(C)(C)OCC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=NO1	REAL300020212363	1	48	-1.0	-49.55	365.98	5.30	-44.25
C[C@H](OCC1=CC=CC=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020212364	0	46	-1.0	-55.47	354.42	6.91	-48.56
C[C@H](OCC1=CC=CC=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020212364	1	46	-1.0	-55.44	354.46	6.92	-48.52
O=C(C1=CC=C(C2=CN=CN=C2)C=C1F)N1CCCCC1CC1=NN=N[N-]1	REAL300020212365	0	44	-1.0	-53.09	347.37	6.85	-46.24
O=C(C1=CC=C(C2=CN=CN=C2)C=C1F)N1CCCCC1CC1=N[N-]N=N1	REAL300020212365	1	44	-1.0	-53.14	347.37	6.84	-46.30
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CC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC(Cl)=N1	REAL300020212367	0	38	-1.0	-45.96	310.74	4.62	-41.34
CC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC(Cl)=N1	REAL300020212367	1	38	-1.0	-45.94	310.78	4.62	-41.32
N#CC1=CC(O)=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020212368	0	38	-1.0	-49.33	311.97	2.93	-46.40
N#CC1=CC(O)=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020212368	1	38	-1.0	-49.34	312.01	2.94	-46.40
N#CC1=CC([O-])=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020212368	1	37	-2.0	-93.70	305.64	3.62	-90.08
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NS(=O)(=O)C1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=N1	REAL300020212370	0	40	-1.0	-54.74	330.16	-1.56	-56.30
NS(=O)(=O)C1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=N1	REAL300020212370	1	40	-1.0	-54.71	330.12	-1.56	-56.27
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CC(C(=O)N1CCCCC1CC1=NN=N[N-]1)C1CN(C(=O)OC(C)(C)C)C1	REAL300020212372	1	56	-1.0	-53.11	414.29	6.12	-46.99
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O=C(CCCCCC1=CC=C(F)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212375	0	51	-1.0	-49.86	395.40	9.66	-40.20
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CC1=CC=C(CCC(=O)N2CCCCC2CC2=N[N-]N=N2)C(Br)=C1	REAL300020212377	0	45	-1.0	-46.48	367.75	7.99	-38.49
CC1=CC=C(CCC(=O)N2CCCCC2CC2=NN=N[N-]2)C(Br)=C1	REAL300020212377	1	45	-1.0	-46.48	367.82	8.00	-38.48
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COC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C(OC)=C1Cl	REAL300020212379	0	44	-1.0	-52.32	354.73	5.31	-47.01
COC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C(OC)=C1Cl	REAL300020212379	1	44	-1.0	-52.32	354.73	5.32	-47.00
CC(C)(C)OC(=O)N1CC[C@@H](CC(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020212380	0	56	-1.0	-62.03	413.11	6.58	-55.45
CC(C)(C)OC(=O)N1CC[C@@H](CC(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020212380	1	56	-1.0	-62.07	413.17	6.61	-55.46
O=C(C(O)CC1=CC=CC(C(F)(F)F)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212381	0	46	-1.0	-45.62	368.74	5.60	-40.02
O=C(C(O)CC1=CC=CC(C(F)(F)F)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212381	1	46	-1.0	-45.63	368.79	5.61	-40.02
CC(C)(C)C1=NN=C2C=CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=CN21	REAL300020212382	0	50	-1.0	-47.82	377.28	7.77	-40.05
CC(C)(C)C1=NN=C2C=CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=CN21	REAL300020212382	1	50	-1.0	-47.81	377.25	7.77	-40.04
COC1=CC=C(F)C=C1CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020212383	0	43	-1.0	-46.93	337.84	5.88	-41.05
COC1=CC=C(F)C=C1CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020212383	1	43	-1.0	-46.93	337.89	5.88	-41.05
O=C(CCC(=O)N1CCCCC1CC1=N[N-]N=N1)C1=CC=CC=N1	REAL300020212384	0	43	-1.0	-51.69	341.38	5.48	-46.21
O=C(CCC(=O)N1CCCCC1CC1=NN=N[N-]1)C1=CC=CC=N1	REAL300020212384	1	43	-1.0	-51.70	341.44	5.50	-46.20
O=C(CC1(CSC2=CC=CC=C2)CC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212385	0	50	-1.0	-40.31	384.74	9.48	-30.83
O=C(CC1(CSC2=CC=CC=C2)CC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212385	1	50	-1.0	-40.34	384.76	9.49	-30.85
CC1=CN(C2=CC=CC=C2)N=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020212386	0	46	-1.0	-52.68	355.58	7.81	-44.87
CC1=CN(C2=CC=CC=C2)N=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020212386	1	46	-1.0	-52.69	355.52	7.81	-44.88
O=C(CCCCC(=O)N1CCCCC1CC1=N[N-]N=N1)C1=CC=C(F)C=C1	REAL300020212387	0	50	-1.0	-48.32	394.11	8.70	-39.62
O=C(CCCCC(=O)N1CCCCC1CC1=NN=N[N-]1)C1=CC=C(F)C=C1	REAL300020212387	1	50	-1.0	-48.35	394.16	8.71	-39.64
O=C(CSC1=NNC(=O)[N-]1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212388	0	36	-2.0	-98.12	305.89	0.03	-98.09
O=C(CSC1=NNC(=O)[N-]1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212388	1	36	-2.0	-98.11	305.94	0.03	-98.08
O=C(C1=CNC2=C(F)C=C(F)C=C2C1=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020212389	0	42	-1.0	-57.53	340.03	5.51	-52.02
O=C(C1=CNC2=C(F)C=C(F)C=C2C1=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020212389	1	42	-1.0	-57.57	340.08	5.52	-52.05
O=C(C1=CC=NC2=CC=NC=C21)N1CCCCC1CC1=NN=N[N-]1	REAL300020212390	0	40	-1.0	-41.19	316.94	4.38	-36.81
O=C(C1=CC=NC2=CC=NC=C21)N1CCCCC1CC1=N[N-]N=N1	REAL300020212390	1	40	-1.0	-41.17	316.90	4.35	-36.82
O=C(CCC1=CN=CC2=CC=CC=C21)N1CCCCC1CC1=NN=N[N-]1	REAL300020212391	0	47	-1.0	-50.07	362.18	7.62	-42.45
O=C(CCC1=CN=CC2=CC=CC=C21)N1CCCCC1CC1=N[N-]N=N1	REAL300020212391	1	47	-1.0	-50.05	362.13	7.61	-42.44
COC(=O)CC1=CC=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020212392	0	45	-1.0	-52.16	356.93	6.81	-45.35
COC(=O)CC1=CC=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020212392	1	45	-1.0	-52.18	356.97	6.80	-45.38
O=C(C1=CC=C(C2=NNC=N2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212393	0	42	-1.0	-53.76	333.19	6.17	-47.59
O=C(C1=CC=C(C2=NNC=N2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212393	1	42	-1.0	-53.76	333.19	6.19	-47.57
COC1=CC2=CC=C([C@H](C)C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2C=C1	REAL300020212394	0	52	-1.0	-54.02	392.68	8.39	-45.63
COC1=CC2=CC=C([C@H](C)C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2C=C1	REAL300020212394	1	52	-1.0	-53.98	392.70	8.42	-45.56
CC(NC(=O)CC(C)(C)C)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020212395	0	51	-1.0	-44.95	371.11	4.47	-40.48
CC(NC(=O)CC(C)(C)C)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020212395	1	51	-1.0	-44.90	371.17	4.46	-40.44
CCOC1=CC=C(C=CC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1C	REAL300020212396	0	50	-1.0	-50.41	383.26	7.88	-42.53
CCOC1=CC=C(C=CC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1C	REAL300020212396	1	50	-1.0	-50.42	383.32	7.90	-42.52
CC1=CC(C=CC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1OC(C)C	REAL300020212397	0	53	-1.0	-50.35	400.91	8.54	-41.81
CC1=CC(C=CC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1OC(C)C	REAL300020212397	1	53	-1.0	-50.31	400.97	8.55	-41.76
O=C(C1=C(I)C=NN1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212398	0	33	-1.0	-45.07	284.90	3.35	-41.72
O=C(C1=C(I)C=NN1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212398	1	33	-1.0	-45.05	285.00	3.36	-41.69
O=C(CCC(=O)N1CCCCC1CC1=N[N-]N=N1)C1=CC=C(Cl)C=N1	REAL300020212399	0	43	-1.0	-48.79	358.13	5.97	-42.82
O=C(CCC(=O)N1CCCCC1CC1=NN=N[N-]1)C1=CC=C(Cl)C=N1	REAL300020212399	1	43	-1.0	-48.76	358.19	5.98	-42.78
CC1=NC=C(Br)C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020212400	0	37	-1.0	-47.31	310.70	4.43	-42.88
CC1=NC=C(Br)C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020212400	1	37	-1.0	-47.32	310.76	4.44	-42.88
O=C(C1=COC(C2CCCCC2)=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212401	0	48	-1.0	-47.53	360.27	5.28	-42.25
O=C(C1=COC(C2CCCCC2)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212401	1	48	-1.0	-47.56	360.32	5.28	-42.28
NC1=CC=C([N+](=O)[O-])C=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020212402	0	40	-1.0	-50.24	319.56	4.18	-46.06
NC1=CC=C([N+](=O)[O-])C=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020212402	1	40	-1.0	-50.30	319.62	4.19	-46.11
O=C(CNC(=O)C1=CC=C(F)C=C1F)N1CCCCC1CC1=N[N-]N=N1	REAL300020212403	0	43	-1.0	-45.22	348.57	4.40	-40.82
O=C(CNC(=O)C1=CC=C(F)C=C1F)N1CCCCC1CC1=NN=N[N-]1	REAL300020212403	1	43	-1.0	-45.25	348.62	4.42	-40.83
O=C(CNC(=O)C1=CC=NC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212404	0	42	-1.0	-45.83	332.85	2.51	-43.32
O=C(CNC(=O)C1=CC=NC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212404	1	42	-1.0	-45.82	332.80	2.49	-43.33
CCOC1=CN=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020212405	0	41	-1.0	-46.67	321.90	1.98	-44.69
CCOC1=CN=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020212405	1	41	-1.0	-46.62	321.84	1.96	-44.66
N#CC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1Cl	REAL300020212406	0	37	-1.0	-47.23	318.48	6.36	-40.87
N#CC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1Cl	REAL300020212406	1	37	-1.0	-47.18	318.52	6.37	-40.81
O=C(C1=NC=CC(Cl)=C1F)N1CCCCC1CC1=NN=N[N-]1	REAL300020212407	0	35	-1.0	-55.43	293.76	5.17	-50.26
O=C(C1=NC=CC(Cl)=C1F)N1CCCCC1CC1=N[N-]N=N1	REAL300020212407	1	35	-1.0	-55.47	293.71	5.16	-50.31
O=C(CNC(=O)C1=CC=CC(O)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212408	0	44	-1.0	-47.45	348.64	1.40	-46.05
O=C(CNC(=O)C1=CC=CC(O)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212408	1	44	-1.0	-47.43	348.69	1.42	-46.01
O=C(CNC(=O)C1=CC(F)=CC(F)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212409	0	43	-1.0	-43.54	350.26	4.34	-39.20
O=C(CNC(=O)C1=CC(F)=CC(F)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212409	1	43	-1.0	-43.58	350.31	4.35	-39.23
O=C(CNC(=O)C1=CC=C(F)C(F)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212410	0	43	-1.0	-46.61	350.30	4.38	-42.23
O=C(CNC(=O)C1=CC=C(F)C(F)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212410	1	43	-1.0	-46.63	350.36	4.39	-42.24
O=C(CNC(=O)C1=CC2=C(CCC2)S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212411	0	47	-1.0	-46.27	380.34	4.87	-41.40
O=C(CNC(=O)C1=CC2=C(CCC2)S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212411	1	47	-1.0	-46.28	380.40	4.89	-41.39
O=C(CNC(=O)C1=C(F)C=CC=C1Cl)N1CCCCC1CC1=N[N-]N=N1	REAL300020212412	0	43	-1.0	-48.98	368.09	4.18	-44.80
O=C(CNC(=O)C1=C(F)C=CC=C1Cl)N1CCCCC1CC1=NN=N[N-]1	REAL300020212412	1	43	-1.0	-48.97	368.15	4.20	-44.77
O=C(C1=CSC(Cl)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212413	0	32	-1.0	-45.63	279.67	3.72	-41.91
O=C(C1=CSC(Cl)=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212413	1	32	-1.0	-45.59	279.62	3.70	-41.89
O=C(C1=COC(CC2CC2)=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212414	0	42	-1.0	-47.90	329.43	4.33	-43.57
O=C(C1=COC(CC2CC2)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212414	1	42	-1.0	-47.97	329.48	4.33	-43.64
CN1CCC2=CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=CC=C21	REAL300020212415	0	45	-1.0	-49.63	340.87	5.24	-44.39
CN1CCC2=CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=CC=C21	REAL300020212415	1	45	-1.0	-49.65	340.90	5.24	-44.41
N#CC(=CC1=CC=C(O)C=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020212416	0	42	-1.0	-47.64	338.04	3.64	-44.00
N#CC(=CC1=CC=C(O)C=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020212416	1	42	-1.0	-47.67	338.09	3.66	-44.01
CCC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CN(C)C1=O	REAL300020212417	0	45	-1.0	-48.58	346.76	5.62	-42.96
CCC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CN(C)C1=O	REAL300020212417	1	45	-1.0	-48.62	346.80	5.64	-42.98
CSCC(C)C(=O)N1CCC(C(=O)N2CCCCC2CC2=N[N-]N=N2)CC1	REAL300020212418	0	56	-1.0	-54.32	420.58	7.08	-47.24
CSCC(C)C(=O)N1CCC(C(=O)N2CCCCC2CC2=NN=N[N-]2)CC1	REAL300020212418	1	56	-1.0	-54.33	420.63	7.09	-47.24
O=C(C1=CN2C(=S)NN=C2C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212419	0	39	-1.0	-50.22	326.23	6.55	-43.67
O=C(C1=CN2C(=S)NN=C2C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212419	1	39	-1.0	-50.25	326.29	6.56	-43.69
O=C(C1=CN2C(=S)[N-]N=C2C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212419	1	38	-2.0	-99.39	320.93	6.23	-93.16
O=C(C1=CN2C(=S)[N-]N=C2C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212419	1	38	-2.0	-99.39	320.96	6.24	-93.15
N#CC1=CC=CC(N2C=CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=N2)=C1	REAL300020212420	0	44	-1.0	-56.65	358.09	7.55	-49.10
N#CC1=CC=CC(N2C=CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=N2)=C1	REAL300020212420	1	44	-1.0	-56.64	358.04	7.52	-49.12
CC1=C(C)C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C(Br)S1	REAL300020212421	0	39	-1.0	-46.08	337.86	6.15	-39.93
CC1=C(C)C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C(Br)S1	REAL300020212421	1	39	-1.0	-46.04	337.93	6.18	-39.86
C[C@@H](NC(=O)CCC1=CC=CC=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020212422	0	52	-1.0	-44.82	401.28	6.33	-38.49
C[C@@H](NC(=O)CCC1=CC=CC=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020212422	1	52	-1.0	-44.77	401.34	6.33	-38.44
O=C(CC1CC1(Cl)Cl)N1CCCCC1CC1=N[N-]N=N1	REAL300020212423	0	36	-1.0	-44.83	311.95	5.68	-39.15
O=C(CC1CC1(Cl)Cl)N1CCCCC1CC1=NN=N[N-]1	REAL300020212423	1	36	-1.0	-44.83	312.01	5.70	-39.13
CC1=CC(C)=NC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020212424	0	41	-1.0	-51.08	316.16	5.69	-45.39
CC1=CC(C)=NC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020212424	1	41	-1.0	-51.10	316.21	5.69	-45.41
CC1=CN(C2=CC=C(F)C=C2)N=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020212425	0	46	-1.0	-51.19	362.21	7.87	-43.32
CC1=CN(C2=CC=C(F)C=C2)N=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020212425	1	46	-1.0	-51.21	362.16	7.87	-43.34
O=C(C(F)C1=CC=C(C(F)(F)F)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212426	0	42	-1.0	-50.55	344.55	7.48	-43.07
O=C(C(F)C1=CC=C(C(F)(F)F)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212426	1	42	-1.0	-50.49	344.60	7.49	-43.00
O=C(C1=CC2=C(C=N1)CCCC2)N1CCCCC1CC1=N[N-]N=N1	REAL300020212427	0	45	-1.0	-51.49	336.04	6.98	-44.51
O=C(C1=CC2=C(C=N1)CCCC2)N1CCCCC1CC1=NN=N[N-]1	REAL300020212427	1	45	-1.0	-51.51	336.08	6.99	-44.52
CCC(C)(C)C1CCC(CC(=O)N2CCCCC2CC2=N[N-]N=N2)CC1	REAL300020212428	0	60	-1.0	-46.81	403.55	8.58	-38.23
CCC(C)(C)C1CCC(CC(=O)N2CCCCC2CC2=NN=N[N-]2)CC1	REAL300020212428	1	60	-1.0	-46.81	403.60	8.59	-38.22
CC(C)(CC(=O)C1=CC=CC=C1)CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020212429	0	53	-1.0	-55.11	385.74	8.93	-46.18
CC(C)(CC(=O)C1=CC=CC=C1)CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020212429	1	53	-1.0	-55.06	385.83	8.94	-46.12
CC(=O)N[C@@H](CC1=CNC=N1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020212430	0	46	-1.0	-56.25	357.29	3.66	-52.59
CC(=O)N[C@@H](CC1=CNC=N1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020212430	1	46	-1.0	-56.25	357.35	3.66	-52.59
COC1=COC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC1=O	REAL300020212431	0	39	-1.0	-57.10	310.04	3.78	-53.32
COC1=COC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC1=O	REAL300020212431	1	39	-1.0	-57.09	310.10	3.80	-53.29
O=C(C1=CC2=CC=NC=C2N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212432	0	40	-1.0	-48.21	318.50	4.14	-44.07
O=C(C1=CC2=CC=NC=C2N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212432	1	40	-1.0	-48.23	318.44	4.12	-44.11
CC1=CN2C=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=CC2=C1	REAL300020212433	0	43	-1.0	-48.80	336.32	7.90	-40.90
CC1=CN2C=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=CC2=C1	REAL300020212433	1	43	-1.0	-48.79	336.36	7.91	-40.88
O=C(C1=CN=C(C2OCCO2)S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212434	0	41	-1.0	-50.44	332.14	2.23	-48.21
O=C(C1=CN=C(C2OCCO2)S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212434	1	41	-1.0	-50.57	332.57	2.22	-48.35
CC(O)C1=NC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020212435	0	39	-1.0	-48.04	316.98	0.75	-47.29
CC(O)C1=NC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020212435	1	39	-1.0	-48.15	317.41	0.73	-47.42
O=C(C1=NN(C2=CC=C(F)C=C2)C(=O)C=C1[O-])N1CCCCC1CC1=N[N-]N=N1	REAL300020212436	0	45	-2.0	-115.59	372.60	5.69	-109.90
O=C(C1=NN(C2=CC=C(F)C=C2)C([O-])=CC1=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020212436	1	45	-2.0	-112.12	372.52	5.80	-106.32
O=C(C1=NN(C2=CC=C(F)C=C2)C(=O)C=C1[O-])N1CCCCC1CC1=NN=N[N-]1	REAL300020212436	1	45	-2.0	-115.56	372.64	5.69	-109.87
CCCC(C(=O)N1CCCCC1CC1=N[N-]N=N1)C1=CC=CC=N1	REAL300020212437	0	47	-1.0	-47.39	350.46	6.47	-40.92
CCCC(C(=O)N1CCCCC1CC1=NN=N[N-]1)C1=CC=CC=N1	REAL300020212437	1	47	-1.0	-47.40	350.49	6.48	-40.92
CN1C=C(C(O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020212438	0	40	-1.0	-52.58	309.28	1.59	-50.99
CN1C=C(C(O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020212438	1	40	-1.0	-52.56	309.22	1.57	-50.99
CC(C)(C)C1=NN=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020212439	0	43	-1.0	-46.82	341.10	4.62	-42.20
CC(C)(C)C1=NN=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020212439	1	43	-1.0	-46.79	341.05	4.61	-42.18
CC(C(=O)N1CCCCC1CC1=N[N-]N=N1)C1=CC=C(C(F)(F)F)C=C1	REAL300020212440	0	45	-1.0	-48.53	354.40	7.83	-40.70
CC(C(=O)N1CCCCC1CC1=NN=N[N-]1)C1=CC=C(C(F)(F)F)C=C1	REAL300020212440	1	45	-1.0	-48.47	354.45	7.83	-40.64
CC1=CC=C2OC(C(=O)N3CCCCC3CC3=N[N-]N=N3)CCC2=C1	REAL300020212441	0	47	-1.0	-56.91	352.52	7.65	-49.26
CC1=CC=C2OC(C(=O)N3CCCCC3CC3=NN=N[N-]3)CCC2=C1	REAL300020212441	1	47	-1.0	-56.94	352.57	7.67	-49.27
CCN1N=CC2=CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=C(C)N=C21	REAL300020212442	0	47	-1.0	-41.71	367.12	6.45	-35.26
CCN1N=CC2=CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=C(C)N=C21	REAL300020212442	1	47	-1.0	-41.68	367.18	6.46	-35.22
O=C(C1=CC(C2CC2)=NO1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212443	0	39	-1.0	-45.08	306.69	5.08	-40.00
O=C(C1=CC(C2CC2)=NO1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212443	1	39	-1.0	-45.06	306.75	5.09	-39.97
COC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=CC=C1[N+](=O)[O-]	REAL300020212444	0	42	-1.0	-48.52	332.40	6.37	-42.15
COC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=CC=C1[N+](=O)[O-]	REAL300020212444	1	42	-1.0	-48.51	332.44	6.38	-42.13
CCC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C2C(C(C)C)=NOC2=N1	REAL300020212445	0	52	-1.0	-39.59	396.02	4.89	-34.70
CCC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C2C(C(C)C)=NOC2=N1	REAL300020212445	1	52	-1.0	-39.54	396.12	4.89	-34.65
CCC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020212446	0	49	-1.0	-47.26	371.74	8.70	-38.56
CCC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020212446	1	49	-1.0	-47.27	371.81	8.72	-38.55
CC1=C(C#N)C=CC=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020212447	0	40	-1.0	-37.87	319.87	6.78	-31.09
CC1=C(C#N)C=CC=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020212447	1	40	-1.0	-37.94	319.92	6.79	-31.15
O=C(C1=CC=C(Cl)C2=NC=CC=C12)N1CCCCC1CC1=NN=N[N-]1	REAL300020212448	0	41	-1.0	-41.69	338.23	6.83	-34.86
O=C(C1=CC=C(Cl)C2=NC=CC=C12)N1CCCCC1CC1=N[N-]N=N1	REAL300020212448	1	41	-1.0	-41.70	338.18	6.81	-34.89
COCCOC1=CN=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020212449	0	46	-1.0	-51.62	362.15	3.21	-48.41
COCCOC1=CN=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020212449	1	46	-1.0	-51.64	362.11	3.20	-48.44
CC1=NC2=CC=CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=C2N1	REAL300020212450	0	42	-1.0	-50.37	325.53	4.86	-45.51
CC1=NC2=CC=CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=C2N1	REAL300020212450	1	42	-1.0	-50.32	325.51	4.88	-45.44
O=C(C1=C2NC=CC(=O)N2N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212451	0	39	-1.0	-50.20	314.91	3.29	-46.91
O=C(C1=C2NC=CC(=O)N2N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212451	1	39	-1.0	-49.50	314.35	3.47	-46.03
CCOC(=O)OC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020212452	0	46	-1.0	-50.84	366.35	7.31	-43.53
CCOC(=O)OC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020212452	1	46	-1.0	-50.84	366.38	7.31	-43.53
CC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1C#N	REAL300020212453	0	40	-1.0	-48.45	320.10	6.26	-42.19
CC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1C#N	REAL300020212453	1	40	-1.0	-48.43	320.13	6.27	-42.16
O=C(C1=CC=C(OC2=CC=CC=C2)C=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212454	0	46	-1.0	-48.56	362.17	7.31	-41.25
O=C(C1=CC=C(OC2=CC=CC=C2)C=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212454	1	46	-1.0	-48.54	362.11	7.29	-41.25
CN1N=NC2=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=CN=C21	REAL300020212455	0	40	-1.0	-66.50	315.22	2.97	-63.53
CN1N=NC2=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=CN=C21	REAL300020212455	1	40	-1.0	-66.52	315.17	2.96	-63.56
O=C(C1CCN(CC(F)F)CC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212456	0	47	-1.0	-56.42	346.33	4.29	-52.13
O=C(C1CCN(CC(F)F)CC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212456	1	47	-1.0	-56.47	346.38	4.30	-52.17
O=C(C1C2C3CC4C5CC(C2C35)C41)N1CCCCC1CC1=N[N-]N=N1	REAL300020212457	0	49	-1.0	-51.17	330.80	8.00	-43.17
O=C(C1C2C3CC4C5CC(C2C35)C41)N1CCCCC1CC1=NN=N[N-]1	REAL300020212457	1	49	-1.0	-51.13	330.85	8.02	-43.11
CC1=NN(C)C(Br)=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020212458	0	39	-1.0	-45.39	332.31	4.07	-41.32
CC1=NN(C)C(Br)=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020212458	1	39	-1.0	-45.39	332.37	4.09	-41.30
O=C(COC1=CSC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212459	0	37	-1.0	-51.64	302.83	5.03	-46.61
O=C(COC1=CSC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212459	1	37	-1.0	-51.67	302.88	5.03	-46.64
CC1=NC2=CC=CC=C2C(=O)N1CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020212460	0	47	-1.0	-58.84	370.72	6.42	-52.42
CC1=NC2=CC=CC=C2C(=O)N1CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020212460	1	47	-1.0	-58.82	370.79	6.42	-52.40
CCC1CCCCC1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020212461	0	48	-1.0	-47.37	326.04	6.71	-40.66
CCC1CCCCC1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020212461	1	48	-1.0	-47.41	326.08	6.71	-40.70
CC(C)N1N=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1N	REAL300020212462	0	44	-1.0	-49.57	335.24	3.64	-45.93
CC(C)N1N=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1N	REAL300020212462	1	44	-1.0	-49.55	335.21	3.64	-45.91
CCOC(CN1N=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1N)OCC	REAL300020212463	0	55	-1.0	-48.71	425.37	3.39	-45.32
CCOC(CN1N=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1N)OCC	REAL300020212463	1	55	-1.0	-48.72	425.27	3.39	-45.33
COC1=CC=C2OC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C2=C1	REAL300020212464	0	43	-1.0	-63.01	340.74	5.15	-57.86
COC1=CC=C2OC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C2=C1	REAL300020212464	1	43	-1.0	-62.81	340.87	5.16	-57.65
CCCC1=NOC2=NC(CC)=CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=C12	REAL300020212465	0	52	-1.0	-39.79	397.88	5.56	-34.23
CCCC1=NOC2=NC(CC)=CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=C12	REAL300020212465	1	52	-1.0	-39.78	397.93	5.57	-34.21
O=C([C@@H](O)CC1=CC=CC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212466	0	43	-1.0	-50.08	330.47	4.54	-45.54
O=C([C@@H](O)CC1=CC=CC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212466	1	43	-1.0	-50.14	330.45	4.58	-45.56
CNC1=NC(C)=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020212467	0	42	-1.0	-49.02	327.01	5.33	-43.69
CNC1=NC(C)=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020212467	1	42	-1.0	-49.02	327.06	5.35	-43.67
O=C(C1=CC(Br)=CC2=NNN=C21)N1CCCCC1CC1=N[N-]N=N1	REAL300020212468	0	38	-1.0	-50.18	320.14	3.25	-46.93
O=C(C1=CC(Br)=CC2=NNN=C21)N1CCCCC1CC1=NN=N[N-]1	REAL300020212468	1	38	-1.0	-50.16	320.15	3.27	-46.89
CC(C)C(CC(=O)N1CCCCC1CC1=N[N-]N=N1)NC(=O)OC(C)(C)C	REAL300020212469	0	58	-1.0	-54.45	424.17	5.17	-49.28
CC(C)C(CC(=O)N1CCCCC1CC1=NN=N[N-]1)NC(=O)OC(C)(C)C	REAL300020212469	1	58	-1.0	-54.46	424.24	5.18	-49.28
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)CN2N=NN=C2N1C	REAL300020212470	0	44	-1.0	-50.17	331.53	5.08	-45.09
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)CN2N=NN=C2N1C	REAL300020212470	1	44	-1.0	-50.22	331.48	5.07	-45.15
O=C(C1=CN=CC(N2C=CN=N2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212471	0	41	-1.0	-53.75	329.70	3.63	-50.12
O=C(C1=CN=CC(N2C=CN=N2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212471	1	41	-1.0	-53.75	329.66	3.63	-50.12
O=C(C=CC1=CN=CS1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212472	0	36	-1.0	-49.08	297.25	4.18	-44.90
O=C(C=CC1=CN=CS1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212472	1	36	-1.0	-49.03	297.30	4.19	-44.84
O=C(C1=CN2C=C(Cl)C=C(Cl)C2=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212473	0	39	-1.0	-48.09	339.71	7.71	-40.38
O=C(C1=CN2C=C(Cl)C=C(Cl)C2=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212473	1	39	-1.0	-48.10	339.65	7.71	-40.39
COC1=CC=CC=C1N1N=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1C	REAL300020212474	0	50	-1.0	-53.36	383.02	6.36	-47.00
COC1=CC=CC=C1N1N=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1C	REAL300020212474	1	50	-1.0	-53.31	383.04	6.39	-46.92
NC(=O)C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)N=C1Cl	REAL300020212475	0	39	-1.0	-49.85	320.52	1.63	-48.22
NC(=O)C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)N=C1Cl	REAL300020212475	1	39	-1.0	-49.79	320.47	1.63	-48.16
O=C(CC1=CC=C(Cl)S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212476	0	36	-1.0	-48.70	310.54	6.23	-42.47
O=C(CC1=CC=C(Cl)S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212476	1	36	-1.0	-48.65	310.59	6.24	-42.41
CCC(C)CCC(O)CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020212477	0	51	-1.0	-51.37	374.05	5.09	-46.28
CCC(C)CCC(O)CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020212477	1	51	-1.0	-51.40	374.10	5.09	-46.31
O=C(C1CCCC(F)(F)C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212478	0	42	-1.0	-45.06	312.50	5.83	-39.23
O=C(C1CCCC(F)(F)C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212478	1	42	-1.0	-45.06	312.55	5.86	-39.20
CN(C)S(=O)(=O)C1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1F	REAL300020212479	0	47	-1.0	-50.13	376.44	3.23	-46.90
CN(C)S(=O)(=O)C1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1F	REAL300020212479	1	47	-1.0	-50.13	376.47	3.24	-46.89
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C(C=O)N1	REAL300020212480	0	39	-1.0	-49.70	307.16	3.43	-46.27
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C(C=O)N1	REAL300020212480	1	39	-1.0	-49.74	307.20	3.44	-46.30
O=C(C1=NN2C=CC(Cl)=CC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212481	0	39	-1.0	-51.48	323.88	6.16	-45.32
O=C(C1=NN2C=CC(Cl)=CC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212481	1	39	-1.0	-51.48	323.83	6.15	-45.33
NS(=O)(=O)C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL300020212482	0	43	-1.0	-51.88	352.44	1.60	-50.28
NS(=O)(=O)C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL300020212482	1	43	-1.0	-51.91	352.48	1.60	-50.31
O=C(C1=CC=C2NC(=O)NC2=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212483	0	39	-1.0	-48.28	308.80	2.24	-46.04
O=C(C1=CC=C2NC(=O)NC2=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212483	1	39	-1.0	-48.23	308.85	2.26	-45.97
CC1=CC=C2C(C(=O)N3CCCCC3CC3=N[N-]N=N3)=CSC2=C1	REAL300020212484	0	42	-1.0	-50.47	336.13	7.40	-43.07
CC1=CC=C2C(C(=O)N3CCCCC3CC3=NN=N[N-]3)=CSC2=C1	REAL300020212484	1	42	-1.0	-50.43	336.09	7.40	-43.03
O=C(CN1CCC2=CC=CC=C2C1=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020212485	0	47	-1.0	-58.03	366.79	6.48	-51.55
O=C(CN1CCC2=CC=CC=C2C1=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020212485	1	47	-1.0	-58.05	366.85	6.50	-51.55
CC1=C(Cl)C=CC=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020212486	0	39	-1.0	-38.58	315.27	6.99	-31.59
CC1=C(Cl)C=CC=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020212486	1	39	-1.0	-38.61	315.32	7.00	-31.61
CN(C)C1=CC(F)=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL300020212487	0	46	-1.0	-47.86	362.01	6.53	-41.33
CN(C)C1=CC(F)=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL300020212487	1	46	-1.0	-47.94	362.06	6.55	-41.39
O=C(C1CC[NH+](C2CC2)CC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212488	0	49	0.0	-61.69	348.87	7.14	-54.55
O=C(C1CC[NH+](C2CC2)CC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212488	1	49	0.0	-61.66	348.92	7.15	-54.51
CC(C)NC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020212489	0	46	-1.0	-49.14	350.15	4.68	-44.46
CC(C)NC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020212489	1	46	-1.0	-49.14	350.12	4.68	-44.46
O=C(C1=CC=C(OC(F)(F)Cl)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212490	0	40	-1.0	-45.76	334.53	5.62	-40.14
O=C(C1=CC=C(OC(F)(F)Cl)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212490	1	40	-1.0	-45.76	334.53	5.65	-40.11
CN1CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)C2=CC=CC=C2C1=O	REAL300020212491	0	47	-1.0	-61.75	353.44	6.41	-55.34
CN1CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)C2=CC=CC=C2C1=O	REAL300020212491	1	47	-1.0	-61.74	353.50	6.42	-55.32
O=C(C1=CC2=CC=CC=C2N1CC(F)(F)F)N1CCCCC1CC1=N[N-]N=N1	REAL300020212492	0	46	-1.0	-51.09	365.05	8.06	-43.03
O=C(C1=CC2=CC=CC=C2N1CC(F)(F)F)N1CCCCC1CC1=NN=N[N-]1	REAL300020212492	1	46	-1.0	-51.10	365.10	8.07	-43.03
CCCCCCCCCC(C)CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020212493	0	62	-1.0	-45.75	446.39	11.02	-34.73
CCCCCCCCCC(C)CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020212493	1	62	-1.0	-45.76	446.42	11.02	-34.74
CC(CC(=O)N1CCCCC1CC1=N[N-]N=N1)C1=CNC2=CC=CC=C12	REAL300020212494	0	49	-1.0	-48.23	369.43	7.92	-40.31
CC(CC(=O)N1CCCCC1CC1=NN=N[N-]1)C1=CNC2=CC=CC=C12	REAL300020212494	1	49	-1.0	-48.20	369.47	7.94	-40.26
N#CC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1F	REAL300020212495	0	37	-1.0	-46.07	306.87	5.80	-40.27
N#CC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1F	REAL300020212495	1	37	-1.0	-46.09	306.91	5.82	-40.27
CNC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020212496	0	40	-1.0	-49.54	309.67	3.20	-46.34
CNC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020212496	1	40	-1.0	-49.51	309.63	3.20	-46.31
O=C(C1=CC(O)=C2C=CSC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212497	0	40	-1.0	-48.82	327.68	3.89	-44.93
O=C(C1=CC(O)=C2C=CSC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212497	1	40	-1.0	-48.81	327.71	3.90	-44.91
O=C(C1=NC2=CC=CN=C2S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212498	0	37	-1.0	-54.08	306.52	2.83	-51.25
O=C(C1=NC2=CC=CN=C2S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212498	1	37	-1.0	-54.10	306.46	2.83	-51.27
NC1=C(Cl)C=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1Cl	REAL300020212499	0	38	-1.0	-46.89	318.99	4.32	-42.57
NC1=C(Cl)C=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1Cl	REAL300020212499	1	38	-1.0	-46.86	318.93	4.32	-42.54
O=C(C1=CC=C(NCC2CC2)N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212500	0	47	-1.0	-48.60	362.69	5.57	-43.03
O=C(C1=CC=C(NCC2CC2)N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212500	1	47	-1.0	-48.62	362.66	5.57	-43.05
CC1=C(C)SC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020212501	0	38	-1.0	-48.79	305.42	4.74	-44.05
CC1=C(C)SC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020212501	1	38	-1.0	-48.82	305.47	4.74	-44.08
CN1C=C2C(=N1)CCCC2C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020212502	0	46	-1.0	-53.24	343.14	5.63	-47.61
CN1C=C2C(=N1)CCCC2C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020212502	1	46	-1.0	-53.24	343.21	5.65	-47.59
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)SC(C2CC2)=N1	REAL300020212503	0	42	-1.0	-49.70	334.34	5.68	-44.02
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)SC(C2CC2)=N1	REAL300020212503	1	42	-1.0	-49.71	334.38	5.68	-44.03
O=C(N1CCCCC1CC1=NN=N[N-]1)C1(C2=CN=CC(Br)=C2)CC1	REAL300020212504	0	42	-1.0	-51.57	344.87	6.17	-45.40
O=C(N1CCCCC1CC1=N[N-]N=N1)C1(C2=CN=CC(Br)=C2)CC1	REAL300020212504	1	42	-1.0	-51.57	344.82	6.16	-45.41
CC(C)(C)OC(=O)NC1=CC=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020212505	0	52	-1.0	-48.61	393.29	5.56	-43.05
CC(C)(C)OC(=O)NC1=CC=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020212505	1	52	-1.0	-48.60	393.35	5.58	-43.02
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C(C#N)O1	REAL300020212506	0	37	-1.0	-44.68	296.86	4.74	-39.94
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C(C#N)O1	REAL300020212506	1	37	-1.0	-44.73	296.91	4.75	-39.98
O=C(CC1CCC(F)(F)C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212507	0	42	-1.0	-52.45	319.54	6.31	-46.14
O=C(CC1CCC(F)(F)C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212507	1	42	-1.0	-52.44	319.59	6.33	-46.11
O=C(CC1=C(Br)C(=O)NC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212508	0	39	-1.0	-50.99	325.16	3.92	-47.07
O=C(CC1=C(Br)C(=O)NC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212508	1	39	-1.0	-50.94	325.21	3.93	-47.01
COC1=CC=CC(C(C)CCCC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020212509	0	55	-1.0	-49.83	416.14	8.10	-41.73
COC1=CC=CC(C(C)CCCC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020212509	1	55	-1.0	-49.80	416.20	8.11	-41.69
CC1=CC(F)=CC(N2C=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)N=N2)=C1	REAL300020212510	0	45	-1.0	-47.29	360.93	6.41	-40.88
CC1=CC(F)=CC(N2C=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)N=N2)=C1	REAL300020212510	1	45	-1.0	-47.25	360.87	6.41	-40.84
CC1=NC2=C(CCCC2C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020212511	0	45	-1.0	-49.00	342.30	6.45	-42.55
CC1=NC2=C(CCCC2C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020212511	1	45	-1.0	-48.96	342.34	6.45	-42.51
O=C(C1=CC(C2=CC=C(Cl)C=C2)=CN1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212512	0	44	-1.0	-55.47	360.09	7.70	-47.77
O=C(C1=CC(C2=CC=C(Cl)C=C2)=CN1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212512	1	44	-1.0	-55.45	360.18	7.71	-47.74
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)SC2=CC(C)=C(C)C=C21	REAL300020212513	0	48	-1.0	-50.92	373.56	8.51	-42.41
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)SC2=CC(C)=C(C)C=C21	REAL300020212513	1	48	-1.0	-50.92	373.61	8.51	-42.41
O=C(CC1CC(C2=CC=CC=C2)C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212514	0	49	-1.0	-48.08	371.62	8.77	-39.31
O=C(CC1CC(C2=CC=CC=C2)C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212514	1	49	-1.0	-48.06	371.68	8.78	-39.28
O=C(CCCC1CCOCC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212515	0	49	-1.0	-48.00	357.91	5.81	-42.19
O=C(CCCC1CCOCC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212515	1	49	-1.0	-48.00	357.96	5.81	-42.19
O=C(C1=CC=CC(C2CCC2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212516	0	46	-1.0	-49.33	345.83	7.95	-41.38
O=C(C1=CC=CC(C2CCC2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212516	1	46	-1.0	-49.35	345.87	7.96	-41.39
CSC1=C(F)C=CC=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020212517	0	40	-1.0	-49.65	325.16	6.45	-43.20
CSC1=C(F)C=CC=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020212517	1	40	-1.0	-49.65	325.19	6.45	-43.20
COC1=CC=C(CC(=O)N2CCCCC2CC2=N[N-]N=N2)N=C1	REAL300020212518	0	42	-1.0	-53.69	329.94	3.82	-49.87
COC1=CC=C(CC(=O)N2CCCCC2CC2=NN=N[N-]2)N=C1	REAL300020212518	1	42	-1.0	-53.65	330.00	3.83	-49.82
C[C@H](OC1=CC=C(Br)C=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020212519	0	43	-1.0	-51.97	347.56	7.07	-44.90
C[C@H](OC1=CC=C(Br)C=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020212519	1	43	-1.0	-51.93	347.61	7.09	-44.84
COC(C(=O)N1CCCCC1CC1=NN=N[N-]1)C1=CN(C)N=C1	REAL300020212520	0	43	-1.0	-55.69	332.93	3.73	-51.96
COC(C(=O)N1CCCCC1CC1=N[N-]N=N1)C1=CN(C)N=C1	REAL300020212520	1	43	-1.0	-55.69	332.88	3.73	-51.96
CC(=O)C1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1C	REAL300020212521	0	44	-1.0	-47.51	337.65	6.49	-41.02
CC(=O)C1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1C	REAL300020212521	1	44	-1.0	-47.51	337.68	6.49	-41.02
COC1=CC(CC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC(OC)=C1O	REAL300020212522	0	48	-1.0	-54.45	377.41	3.09	-51.36
COC1=CC(CC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC(OC)=C1O	REAL300020212522	1	48	-1.0	-54.45	377.47	3.11	-51.34
O=C(C1=CC=NN1CC(F)F)N1CCCCC1CC1=NN=N[N-]1	REAL300020212523	0	39	-1.0	-50.14	310.11	4.19	-45.95
O=C(C1=CC=NN1CC(F)F)N1CCCCC1CC1=N[N-]N=N1	REAL300020212523	1	39	-1.0	-50.16	309.99	4.19	-45.97
O=C(C1CCC(C(F)(F)F)CC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212524	0	45	-1.0	-50.77	327.23	6.61	-44.16
O=C(C1CCC(C(F)(F)F)CC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212524	1	45	-1.0	-50.81	327.15	6.62	-44.19
CC(=O)NC1=CC=CC=C1CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020212525	0	46	-1.0	-51.92	360.72	5.18	-46.74
CC(=O)NC1=CC=CC=C1CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020212525	1	46	-1.0	-51.93	360.78	5.20	-46.73
COC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1C1CC1	REAL300020212526	0	47	-1.0	-49.23	357.55	6.82	-42.41
COC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1C1CC1	REAL300020212526	1	47	-1.0	-49.27	357.58	6.83	-42.44
COC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1OCCO	REAL300020212527	0	48	-1.0	-52.40	374.15	2.61	-49.79
COC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1OCCO	REAL300020212527	1	48	-1.0	-52.42	374.19	2.63	-49.79
O=C(C1=CC=C(F)C2=CC=CC=C12)N1CCCCC1CC1=N[N-]N=N1	REAL300020212528	0	42	-1.0	-47.70	328.01	7.72	-39.98
O=C(C1=CC=C(F)C2=CC=CC=C12)N1CCCCC1CC1=NN=N[N-]1	REAL300020212528	1	42	-1.0	-47.68	328.06	7.73	-39.95
CC1=NOC(COC2=CC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=N2)=N1	REAL300020214015	0	47	-1.0	-48.24	380.38	1.63	-46.61
CC1=NOC(COC2=CC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=N2)=N1	REAL300020214015	1	47	-1.0	-48.25	380.35	1.62	-46.63
O=C(CC1=CC=CC2=CN=CC=C21)N1CCCCC1CC1=NN=N[N-]1	REAL300020214018	0	44	-1.0	-51.94	340.98	6.82	-45.12
O=C(CC1=CC=CC2=CN=CC=C21)N1CCCCC1CC1=N[N-]N=N1	REAL300020214018	1	44	-1.0	-51.94	340.92	6.81	-45.13
O=C(C1=CN2CCOCC2=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214019	0	41	-1.0	-52.46	313.56	4.07	-48.39
O=C(C1=CN2CCOCC2=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214019	1	41	-1.0	-52.45	313.62	4.08	-48.37
CC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C(C)N1C1CCCOC1	REAL300020214020	0	54	-1.0	-52.46	386.06	6.81	-45.65
CC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C(C)N1C1CCCOC1	REAL300020214020	1	54	-1.0	-52.49	386.08	6.81	-45.68
CC1=C2C=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)NC2=C(F)C=C1	REAL300020214021	0	43	-1.0	-49.76	341.82	6.18	-43.58
CC1=C2C=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)NC2=C(F)C=C1	REAL300020214021	1	43	-1.0	-48.63	341.23	6.35	-42.28
O=C(C1=NC(C2CC2)=CS1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214022	0	39	-1.0	-51.96	314.98	4.45	-47.51
O=C(C1=NC(C2CC2)=CS1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214022	1	39	-1.0	-51.98	315.04	4.45	-47.53
CC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C(C)N1CC1CCCOC1	REAL300020214023	0	57	-1.0	-55.01	407.90	7.53	-47.48
CC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C(C)N1CC1CCCOC1	REAL300020214023	1	57	-1.0	-55.00	407.98	7.54	-47.46
O=C(C1=C(C2CC2)NC(C2CC2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214024	0	48	-1.0	-52.61	365.27	7.68	-44.93
O=C(C1=C(C2CC2)NC(C2CC2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214024	1	48	-1.0	-52.62	365.33	7.68	-44.94
O=C(C=CC1=CC(C(F)(F)F)=CC=C1Cl)N1CCCCC1CC1=N[N-]N=N1	REAL300020214025	0	43	-1.0	-48.96	364.97	8.36	-40.60
O=C(C=CC1=CC(C(F)(F)F)=CC=C1Cl)N1CCCCC1CC1=NN=N[N-]1	REAL300020214025	1	43	-1.0	-49.00	365.03	8.37	-40.63
O=C(C1C[N@H+](CC2=CC=CC=C2)CC12CCC2)N1CCCCC1CC1=N[N-]N=N1	REAL300020214026	0	59	0.0	-52.63	419.23	10.37	-42.26
O=C(C1C[N@@H+](CC2=CC=CC=C2)CC12CCC2)N1CCCCC1CC1=N[N-]N=N1	REAL300020214026	1	59	0.0	-69.21	425.62	10.18	-59.03
O=C(C1C[N@H+](CC2=CC=CC=C2)CC12CCC2)N1CCCCC1CC1=NN=N[N-]1	REAL300020214026	1	59	0.0	-52.61	419.28	10.40	-42.21
O=C(C1C[N@@H+](CC2=CC=CC=C2)CC12CCC2)N1CCCCC1CC1=NN=N[N-]1	REAL300020214026	1	59	0.0	-69.23	425.67	10.20	-59.03
CC(C)(C)OC1=CC=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020214027	0	48	-1.0	-48.61	342.88	5.70	-42.91
CC(C)(C)OC1=CC=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020214027	1	48	-1.0	-48.59	342.82	5.68	-42.91
CC(=O)N1CCC[C@H]1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214028	0	43	-1.0	-58.56	326.10	3.63	-54.93
CC(=O)N1CCC[C@H]1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214028	1	43	-1.0	-58.55	326.16	3.65	-54.90
O=C([C@@H]1C[C@H]1C1=CC=CO1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214029	0	40	-1.0	-50.07	314.92	6.04	-44.03
O=C([C@@H]1C[C@H]1C1=CC=CO1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214029	1	40	-1.0	-50.10	314.97	6.07	-44.03
NC(=O)[C@@H]1CC[C@H](C(=O)N2CCCCC2CC2=N[N-]N=N2)O1	REAL300020214030	0	41	-1.0	-69.17	314.12	1.30	-67.87
NC(=O)[C@@H]1CC[C@H](C(=O)N2CCCCC2CC2=NN=N[N-]2)O1	REAL300020214030	1	41	-1.0	-69.16	314.17	1.31	-67.85
COC1=CC=CC(C2=NOC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=C2)=C1	REAL300020214031	0	46	-1.0	-47.60	363.73	5.82	-41.78
COC1=CC=CC(C2=NOC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=C2)=C1	REAL300020214031	1	46	-1.0	-47.63	363.67	5.82	-41.81
O=C(CC1=CC2=CC=NC=C2C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214032	0	44	-1.0	-52.42	344.28	6.98	-45.44
O=C(CC1=CC2=CC=NC=C2C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214032	1	44	-1.0	-52.43	344.33	6.99	-45.44
N#CC1=CC=C(C2(C(=O)N3CCCCC3CC3=N[N-]N=N3)CCCC2)C=C1	REAL300020214033	0	50	-1.0	-52.59	367.56	8.74	-43.85
N#CC1=CC=C(C2(C(=O)N3CCCCC3CC3=NN=N[N-]3)CCCC2)C=C1	REAL300020214033	1	50	-1.0	-52.63	367.61	8.75	-43.88
N#CC1=CC=C(COCC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020214034	0	44	-1.0	-53.99	363.30	6.73	-47.26
N#CC1=CC=C(COCC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020214034	1	44	-1.0	-53.92	363.36	6.74	-47.18
COC1=CC(COCC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=N1	REAL300020214035	0	46	-1.0	-54.93	369.54	3.05	-51.88
COC1=CC(COCC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=N1	REAL300020214035	1	46	-1.0	-54.94	369.60	3.06	-51.88
COC1=CC=C(COCC(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020214036	0	46	-1.0	-56.57	364.85	3.31	-53.26
COC1=CC=C(COCC(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020214036	1	46	-1.0	-56.59	364.80	3.30	-53.29
O=C(COCC1=CC(=O)NC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214037	0	43	-1.0	-70.29	345.00	3.34	-66.95
O=C(COCC1=CC(=O)NC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214037	1	43	-1.0	-70.27	345.06	3.36	-66.91
O=C(C1=CN(C2CC2)C=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214038	0	40	-1.0	-52.18	310.54	6.90	-45.28
O=C(C1=CN(C2CC2)C=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214038	1	40	-1.0	-52.18	310.49	6.87	-45.31
CC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C(F)=C1F	REAL300020214039	0	39	-1.0	-54.41	309.55	6.08	-48.33
CC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C(F)=C1F	REAL300020214039	1	39	-1.0	-54.45	309.59	6.09	-48.36
O=C(CC1=CC(Cl)=CC(Cl)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214040	0	39	-1.0	-47.64	341.18	7.05	-40.59
O=C(CC1=CC(Cl)=CC(Cl)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214040	1	39	-1.0	-47.67	341.24	7.06	-40.61
CSC1=CC=C(C=CC(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020214041	0	41	-1.0	-48.60	344.49	7.20	-41.40
CSC1=CC=C(C=CC(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020214041	1	41	-1.0	-48.61	344.55	7.21	-41.40
CC1CC(=O)NC2=CC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2N1	REAL300020214042	0	49	-1.0	-49.15	373.46	3.43	-45.72
CC1CC(=O)NC2=CC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2N1	REAL300020214042	1	49	-1.0	-49.17	373.47	3.44	-45.73
CNC1=NC(C)=CC=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214043	0	43	-1.0	-42.16	333.55	4.94	-37.22
CNC1=NC(C)=CC=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214043	1	43	-1.0	-42.14	333.60	4.95	-37.19
CNC1=[NH+]C(C)=CC=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214043	1	44	0.0	-32.37	334.73	5.29	-27.08
CC(C)(C)OC(=O)NC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020214044	0	52	-1.0	-54.07	397.95	5.25	-48.82
CC(C)(C)OC(=O)NC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020214044	1	52	-1.0	-54.04	397.98	5.26	-48.78
CC1=CN2C=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)N=C2C=C1	REAL300020214045	0	42	-1.0	-53.52	327.61	7.41	-46.11
CC1=CN2C=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)N=C2C=C1	REAL300020214045	1	42	-1.0	-53.53	327.56	7.38	-46.15
O=C(C1=C(Br)C2=CC=CC=C2O1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214046	0	39	-1.0	-49.14	325.40	6.76	-42.38
O=C(C1=C(Br)C2=CC=CC=C2O1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214046	1	39	-1.0	-49.16	325.46	6.77	-42.39
O=C(C1=CN=CC(N2CCCC2)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214047	0	46	-1.0	-48.56	344.88	4.09	-44.47
O=C(C1=CN=CC(N2CCCC2)=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214047	1	46	-1.0	-48.55	344.84	4.08	-44.47
CC1=NC2=CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=NN2C(C(F)(F)F)=C1	REAL300020214048	0	44	-1.0	-54.74	362.49	6.30	-48.44
CC1=NC2=CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=NN2C(C(F)(F)F)=C1	REAL300020214048	1	44	-1.0	-54.74	362.55	6.31	-48.43
O=C(COC1=CC=C(Br)C=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214049	0	39	-1.0	-49.42	330.62	4.11	-45.31
O=C(COC1=CC=C(Br)C=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214049	1	39	-1.0	-49.39	330.57	4.11	-45.28
O=C(C1=CC2=NC=CC=C2S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214050	0	38	-1.0	-51.99	312.70	4.84	-47.15
O=C(C1=CC2=NC=CC=C2S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214050	1	38	-1.0	-51.93	312.64	4.84	-47.09
O=C(C1CCCN2C=C(C(F)(F)F)N=C12)N1CCCCC1CC1=N[N-]N=N1	REAL300020214051	0	46	-1.0	-47.90	357.15	7.10	-40.80
O=C(C1CCCN2C=C(C(F)(F)F)N=C12)N1CCCCC1CC1=NN=N[N-]1	REAL300020214051	1	46	-1.0	-47.89	357.22	7.10	-40.79
O=C(CC1=CC(Cl)=CC2=CC=CC=C21)N1CCCCC1CC1=N[N-]N=N1	REAL300020214052	0	45	-1.0	-49.34	367.29	8.73	-40.61
O=C(CC1=CC(Cl)=CC2=CC=CC=C21)N1CCCCC1CC1=NN=N[N-]1	REAL300020214052	1	45	-1.0	-49.35	367.35	8.76	-40.59
CC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1N1CCOCC1	REAL300020214053	0	52	-1.0	-50.62	387.94	5.62	-45.00
CC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1N1CCOCC1	REAL300020214053	1	52	-1.0	-50.64	387.97	5.63	-45.01
O=C(C1=NC=C2C=CC=CN21)N1CCCCC1CC1=NN=N[N-]1	REAL300020214054	0	39	-1.0	-53.19	302.84	6.78	-46.41
O=C(C1=NC=C2C=CC=CN21)N1CCCCC1CC1=N[N-]N=N1	REAL300020214054	1	39	-1.0	-53.21	302.79	6.78	-46.43
O=C(C1=CC(Cl)=CC(Cl)=C1F)N1CCCCC1CC1=N[N-]N=N1	REAL300020214055	0	36	-1.0	-47.16	316.25	6.41	-40.75
O=C(C1=CC(Cl)=CC(Cl)=C1F)N1CCCCC1CC1=NN=N[N-]1	REAL300020214055	1	36	-1.0	-47.16	316.27	6.42	-40.74
O=C(C1=CC=NN1CC1CCC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214056	0	46	-1.0	-47.87	346.60	6.10	-41.77
O=C(C1=CC=NN1CC1CCC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214056	1	46	-1.0	-47.93	346.57	5.99	-41.94
COC1=CC=C2C=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)SC2=C1	REAL300020214057	0	43	-1.0	-50.53	345.56	6.25	-44.28
COC1=CC=C2C=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)SC2=C1	REAL300020214057	1	43	-1.0	-50.54	345.60	6.27	-44.27
COC1=CC=C2C(CC(=O)N3CCCCC3CC3=N[N-]N=N3)=COC2=C1C	REAL300020214058	0	49	-1.0	-52.11	380.43	6.86	-45.25
COC1=CC=C2C(CC(=O)N3CCCCC3CC3=NN=N[N-]3)=COC2=C1C	REAL300020214058	1	49	-1.0	-52.07	380.48	6.87	-45.20
CC1=CC(OC2=CC=CC=C2)=CC=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214059	0	50	-1.0	-43.71	388.77	9.23	-34.48
CC1=CC(OC2=CC=CC=C2)=CC=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214059	1	50	-1.0	-43.74	388.81	9.24	-34.50
O=C(CC1=CSC(COC2=CC=CC=C2)=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214060	0	49	-1.0	-58.49	403.23	6.53	-51.96
O=C(CC1=CSC(COC2=CC=CC=C2)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214060	1	49	-1.0	-58.47	403.29	6.56	-51.91
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=NC2=C(Cl)C=CC=C12	REAL300020214061	0	44	-1.0	-45.69	354.89	7.44	-38.25
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=NC2=C(Cl)C=CC=C12	REAL300020214061	1	44	-1.0	-45.71	354.94	7.44	-38.27
CC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1C1=CN(C)N=C1	REAL300020214062	0	49	-1.0	-53.13	382.92	7.40	-45.73
CC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1C1=CN(C)N=C1	REAL300020214062	1	49	-1.0	-53.15	382.90	7.39	-45.76
CC(C)(C)C1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC(Cl)=N1	REAL300020214063	0	47	-1.0	-45.66	368.40	6.61	-39.05
CC(C)(C)C1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC(Cl)=N1	REAL300020214063	1	47	-1.0	-45.66	368.36	6.60	-39.06
O=C(C=CC1=CC=C(F)C2=CC=CC=C12)N1CCCCC1CC1=N[N-]N=N1	REAL300020214064	0	46	-1.0	-50.08	360.50	9.12	-40.96
O=C(C=CC1=CC=C(F)C2=CC=CC=C12)N1CCCCC1CC1=NN=N[N-]1	REAL300020214064	1	46	-1.0	-50.12	360.55	9.13	-40.99
O=C(C1=CC(Br)=CN=C1F)N1CCCCC1CC1=NN=N[N-]1	REAL300020214065	0	35	-1.0	-47.05	301.91	4.20	-42.85
O=C(C1=CC(Br)=CN=C1F)N1CCCCC1CC1=N[N-]N=N1	REAL300020214065	1	35	-1.0	-47.07	301.92	4.20	-42.87
CC(C)(C)OC(=O)N1CCC(C(F)C(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020214066	0	56	-1.0	-49.82	414.49	6.47	-43.35
CC(C)(C)OC(=O)N1CCC(C(F)C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020214066	1	56	-1.0	-49.84	414.54	6.49	-43.35
CC1=CC(C)=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020214067	0	39	-1.0	-49.41	309.61	6.14	-43.27
CC1=CC(C)=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020214067	1	39	-1.0	-49.38	309.66	6.14	-43.24
CC1CN(C2=CC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2)CC(C)O1	REAL300020214068	0	55	-1.0	-49.31	404.31	5.62	-43.69
CC1CN(C2=CC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2)CC(C)O1	REAL300020214068	1	55	-1.0	-49.27	404.31	5.63	-43.64
O=C(C(=O)N1CCCCC1CC1=N[N-]N=N1)C1=CC(Cl)=CC(Cl)=C1	REAL300020214069	0	38	-1.0	-40.58	329.92	6.45	-34.13
O=C(C(=O)N1CCCCC1CC1=NN=N[N-]1)C1=CC(Cl)=CC(Cl)=C1	REAL300020214069	1	38	-1.0	-40.59	329.98	6.45	-34.14
O=C(C1=CC(C2=CNC3=NC=CC3=C2)=CC=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214070	0	48	-1.0	-54.45	381.15	7.47	-46.98
O=C(C1=CC(C2=CNC3=NC=CC3=C2)=CC=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214070	1	48	-1.0	-54.45	381.20	7.48	-46.97
O=C(C1=CC(C2=CN=C3NC=CC3=C2)=CC=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214070	1	48	-1.0	-58.14	374.09	7.16	-50.98
O=C(C1=CC(C2=CN=C3NC=CC3=C2)=CC=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214070	1	48	-1.0	-58.15	374.15	7.17	-50.98
CC1=NC2=C(Cl)C=CC=C2C=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214071	0	44	-1.0	-42.47	359.15	7.48	-34.99
CC1=NC2=C(Cl)C=CC=C2C=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214071	1	44	-1.0	-42.47	359.19	7.48	-34.99
CN1C(=O)COC2=CC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C21	REAL300020214072	0	45	-1.0	-49.83	349.45	4.53	-45.30
CN1C(=O)COC2=CC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C21	REAL300020214072	1	45	-1.0	-49.81	349.49	4.55	-45.26
O=C(C1=CC=CC(C(F)F)=C1F)N1CCCCC1CC1=N[N-]N=N1	REAL300020214074	0	39	-1.0	-55.00	313.85	6.20	-48.80
O=C(C1=CC=CC(C(F)F)=C1F)N1CCCCC1CC1=NN=N[N-]1	REAL300020214074	1	39	-1.0	-54.96	313.81	6.20	-48.76
CC1(Br)CC1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214075	0	36	-1.0	-43.61	294.64	5.23	-38.38
CC1(Br)CC1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214075	1	36	-1.0	-43.61	294.70	5.24	-38.37
O=C(C1=CN(CC2CCOC2)N=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214076	0	46	-1.0	-48.87	354.68	3.25	-45.62
O=C(C1=CN(CC2CCOC2)N=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214076	1	46	-1.0	-48.87	354.62	3.25	-45.62
O=C(C1CC(C2=CC=CC(Cl)=C2F)=NO1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214077	0	44	-1.0	-61.78	368.41	7.03	-54.75
O=C(C1CC(C2=CC=CC(Cl)=C2F)=NO1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214077	1	44	-1.0	-61.84	368.48	7.05	-54.79
O=C(C1=CC(F)=C(Br)C=C1F)N1CCCCC1CC1=N[N-]N=N1	REAL300020214078	0	36	-1.0	-46.62	309.96	6.03	-40.59
O=C(C1=CC(F)=C(Br)C=C1F)N1CCCCC1CC1=NN=N[N-]1	REAL300020214078	1	36	-1.0	-46.65	310.00	6.03	-40.62
O=C(CCC1=NN=C(C(F)F)O1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214079	0	40	-1.0	-48.63	329.47	0.44	-48.19
O=C(CCC1=NN=C(C(F)F)O1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214079	1	40	-1.0	-48.55	329.52	0.45	-48.10
CN1N=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C2=CC=CC=C21	REAL300020214080	0	42	-1.0	-55.55	327.45	5.97	-49.58
CN1N=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C2=CC=CC=C21	REAL300020214080	1	42	-1.0	-55.57	327.39	5.96	-49.61
CC1OC(C)C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C1C	REAL300020214081	0	46	-1.0	-54.00	332.07	4.60	-49.40
CC1OC(C)C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C1C	REAL300020214081	1	46	-1.0	-53.98	332.11	4.60	-49.38
O=C(C1CCC1C1=CC=C(F)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214082	0	46	-1.0	-51.85	352.70	8.28	-43.57
O=C(C1CCC1C1=CC=C(F)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214082	1	46	-1.0	-51.86	352.75	8.29	-43.57
CN1C(=O)CN(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C1=O	REAL300020214083	0	41	-1.0	-49.50	325.76	3.33	-46.17
CN1C(=O)CN(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C1=O	REAL300020214083	1	41	-1.0	-49.47	325.82	3.34	-46.13
O=C(C1=COC(C(F)F)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214084	0	36	-1.0	-52.85	295.04	4.14	-48.71
O=C(C1=COC(C(F)F)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214084	1	36	-1.0	-51.42	297.78	4.34	-47.08
CSCCCCCCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214085	0	48	-1.0	-48.01	373.81	7.81	-40.20
CSCCCCCCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214085	1	48	-1.0	-47.98	373.86	7.81	-40.17
O=C([C@@H]1C[C@H]1C1=CSC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214086	0	40	-1.0	-46.69	325.80	6.36	-40.33
O=C([C@@H]1C[C@H]1C1=CSC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214086	1	40	-1.0	-46.72	325.87	6.37	-40.35
O=C(C1=C2CCCCN2C(C(F)(F)F)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214087	0	46	-1.0	-47.67	357.94	7.27	-40.40
O=C(C1=C2CCCCN2C(C(F)(F)F)=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214087	1	46	-1.0	-47.64	357.89	7.25	-40.39
CCC1=C(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C2=CC=CC=C2O1	REAL300020214088	0	48	-1.0	-51.69	376.66	8.09	-43.60
CCC1=C(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C2=CC=CC=C2O1	REAL300020214088	1	48	-1.0	-51.64	376.72	8.10	-43.54
O=C(C=CSC1=CC=CC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214089	0	41	-1.0	-49.11	337.55	7.48	-41.63
O=C(C=CSC1=CC=CC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214089	1	41	-1.0	-49.11	337.60	7.50	-41.61
CC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C(C)N1C1=CN=CC=N1	REAL300020214090	0	48	-1.0	-53.67	367.71	6.80	-46.87
CC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C(C)N1C1=CN=CC=N1	REAL300020214090	1	48	-1.0	-53.67	367.68	6.79	-46.88
O=C([N-]CC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)O1)C(F)(F)F	REAL300020214091	0	42	-2.0	-87.13	358.93	1.71	-85.42
O=C([N-]CC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)O1)C(F)(F)F	REAL300020214091	1	42	-2.0	-87.13	358.98	1.71	-85.42
C=C(Cl)CC(NC(=O)OC(C)(C)C)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214092	0	53	-1.0	-42.04	408.32	4.76	-37.28
C=C(Cl)CC(NC(=O)OC(C)(C)C)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214092	1	53	-1.0	-42.06	408.36	4.76	-37.30
CC1=CN(C2CCOCC2)N=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214093	0	50	-1.0	-51.86	372.25	5.29	-46.57
CC1=CN(C2CCOCC2)N=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214093	1	50	-1.0	-51.86	372.19	5.26	-46.60
O=C(C1=CC=NC(Cl)=C1Cl)N1CCCCC1CC1=NN=N[N-]1	REAL300020214094	0	35	-1.0	-47.94	301.91	4.44	-43.50
O=C(C1=CC=NC(Cl)=C1Cl)N1CCCCC1CC1=N[N-]N=N1	REAL300020214094	1	35	-1.0	-47.98	301.88	4.43	-43.55
O=C(CC(O)C(Cl)(Cl)Cl)N1CCCCC1CC1=N[N-]N=N1	REAL300020214095	0	36	-1.0	-45.98	322.72	3.10	-42.88
O=C(CC(O)C(Cl)(Cl)Cl)N1CCCCC1CC1=NN=N[N-]1	REAL300020214095	1	36	-1.0	-45.90	322.79	3.12	-42.78
O=C(C1=CN=C(C2CC2)NC1=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214096	0	42	-1.0	-58.03	328.46	3.74	-54.29
O=C(C1=CN=C(C2CC2)NC1=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214096	1	42	-1.0	-58.04	328.54	3.73	-54.31
O=C(CC1C(=O)N=CNC1=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214097	0	39	-1.0	-51.91	304.08	1.13	-50.78
O=C(CC1C(=O)N=CNC1=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214097	1	39	-1.0	-51.92	304.08	1.15	-50.77
O=C(C1=CC(Cl)=C(F)C([N+](=O)[O-])=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214098	0	38	-1.0	-44.92	326.20	6.51	-38.41
O=C(C1=CC(Cl)=C(F)C([N+](=O)[O-])=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214098	1	38	-1.0	-44.93	326.24	6.51	-38.42
CC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1C(F)(F)F	REAL300020214099	0	42	-1.0	-47.77	334.25	6.90	-40.87
CC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1C(F)(F)F	REAL300020214099	1	42	-1.0	-47.75	334.28	6.89	-40.86
O=C(C1=CC(OCC2=CC=CC=C2)=CS1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214100	0	47	-1.0	-49.51	382.86	7.66	-41.85
O=C(C1=CC(OCC2=CC=CC=C2)=CS1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214100	1	47	-1.0	-49.51	382.91	7.67	-41.84
CCOC1=CC=CC(CCC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020214101	0	49	-1.0	-48.28	375.85	7.47	-40.81
CCOC1=CC=CC(CCC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020214101	1	49	-1.0	-48.29	375.90	7.48	-40.81
CCN(C(=O)OC(C)(C)C)C(C)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214102	0	55	-1.0	-41.37	396.17	7.31	-34.06
CCN(C(=O)OC(C)(C)C)C(C)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214102	1	55	-1.0	-41.37	396.22	7.32	-34.05
CC1=CN2CCC(C(=O)N3CCCCC3CC3=N[N-]N=N3)CC2=N1	REAL300020214103	0	46	-1.0	-52.69	342.74	6.27	-46.42
CC1=CN2CCC(C(=O)N3CCCCC3CC3=NN=N[N-]3)CC2=N1	REAL300020214103	1	46	-1.0	-52.73	342.79	6.28	-46.45
CC1=C(F)C=C(S(N)(=O)=O)C=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214104	0	44	-1.0	-54.27	357.33	1.05	-53.22
CC1=C(F)C=C(S(N)(=O)=O)C=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214104	1	44	-1.0	-54.26	357.38	1.06	-53.20
O=C(CC1=C2CCCCN2N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214105	0	46	-1.0	-52.61	350.64	5.57	-47.04
O=C(CC1=C2CCCCN2N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214105	1	46	-1.0	-52.66	350.70	5.60	-47.06
CC1=CN2C=C(CC(=O)N3CCCCC3CC3=N[N-]N=N3)N=C2S1	REAL300020214106	0	42	-1.0	-60.38	346.40	6.72	-53.66
CC1=CN2C=C(CC(=O)N3CCCCC3CC3=NN=N[N-]3)N=C2S1	REAL300020214106	1	42	-1.0	-60.37	346.47	6.74	-53.63
C[N@@H+]1CCCC(O)(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020214107	0	49	0.0	-57.90	344.06	4.50	-53.40
C[N@H+]1CCCC(O)(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020214107	1	49	0.0	-60.44	335.70	4.35	-56.09
C[N@@H+]1CCCC(O)(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020214107	1	49	0.0	-57.92	344.09	4.52	-53.40
C[N@H+]1CCCC(O)(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020214107	1	49	0.0	-60.40	335.74	4.37	-56.03
O=C(C1=CC(C2=CC=CC(Cl)=C2F)=NO1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214108	0	42	-1.0	-49.74	353.66	7.05	-42.69
O=C(C1=CC(C2=CC=CC(Cl)=C2F)=NO1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214108	1	42	-1.0	-49.69	353.61	7.05	-42.64
COC(=O)C=CC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020214109	0	46	-1.0	-50.77	365.06	7.22	-43.55
COC(=O)C=CC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020214109	1	46	-1.0	-50.76	365.06	7.24	-43.52
COC1=CN=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1C	REAL300020214110	0	42	-1.0	-42.69	324.59	4.05	-38.64
COC1=CN=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1C	REAL300020214110	1	42	-1.0	-42.71	324.64	4.05	-38.66
O=C(CC1CC2=CC=CC=C2O1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214111	0	44	-1.0	-58.78	338.28	6.59	-52.19
O=C(CC1CC2=CC=CC=C2O1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214111	1	44	-1.0	-58.78	338.33	6.59	-52.19
CSC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1Br	REAL300020214112	0	40	-1.0	-45.80	339.48	6.93	-38.87
CSC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1Br	REAL300020214112	1	40	-1.0	-45.85	339.51	6.95	-38.90
CC(C)(C)OC(=O)CN1C=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)N=N1	REAL300020214113	0	50	-1.0	-54.05	386.26	5.38	-48.67
CC(C)(C)OC(=O)CN1C=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)N=N1	REAL300020214113	1	50	-1.0	-54.04	386.21	5.37	-48.67
CC(C)(C)OC(=O)C1=CC=CC=C1CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214114	0	54	-1.0	-50.53	410.11	8.50	-42.03
CC(C)(C)OC(=O)C1=CC=CC=C1CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214114	1	54	-1.0	-50.50	410.17	8.53	-41.97
O=C(CC1=CC=C(O)C(Cl)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214115	0	40	-1.0	-49.94	330.32	4.19	-45.75
O=C(CC1=CC=C(O)C(Cl)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214115	1	40	-1.0	-49.94	330.37	4.21	-45.73
CC1=CC(C)=C(C=CC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1C	REAL300020214116	0	49	-1.0	-50.37	367.59	8.65	-41.72
CC1=CC(C)=C(C=CC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1C	REAL300020214116	1	49	-1.0	-50.42	367.64	8.66	-41.76
O=C(C=CC1=CSC(C(F)(F)F)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214117	0	40	-1.0	-48.63	342.28	7.07	-41.56
O=C(C=CC1=CSC(C(F)(F)F)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214117	1	40	-1.0	-48.64	342.33	7.07	-41.57
O=C(CC1=CSC(CCC(F)(F)F)=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214118	0	44	-1.0	-52.06	374.48	5.87	-46.19
O=C(CC1=CSC(CCC(F)(F)F)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214118	1	44	-1.0	-52.04	374.54	5.90	-46.14
O=C([C@@H]1C[C@H]1C1=C(F)C=CC=C1Cl)N1CCCCC1CC1=N[N-]N=N1	REAL300020214119	0	43	-1.0	-51.21	347.53	8.10	-43.11
O=C([C@@H]1C[C@H]1C1=C(F)C=CC=C1Cl)N1CCCCC1CC1=NN=N[N-]1	REAL300020214119	1	43	-1.0	-51.23	347.58	8.11	-43.12
CC(C(=O)N1CCCCC1CC1=NN=N[N-]1)N1C=CC(C(F)(F)F)=N1	REAL300020214120	0	42	-1.0	-55.11	340.10	4.98	-50.13
CC(C(=O)N1CCCCC1CC1=N[N-]N=N1)N1C=CC(C(F)(F)F)=N1	REAL300020214120	1	42	-1.0	-55.03	340.04	4.97	-50.06
CC1=CC=CC(COC(C)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020214121	0	49	-1.0	-54.91	375.48	7.76	-47.15
CC1=CC=CC(COC(C)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020214121	1	49	-1.0	-54.86	375.59	7.77	-47.09
O=C(C=CC1=CC=CC=C1C(F)(F)F)N1CCCCC1CC1=N[N-]N=N1	REAL300020214122	0	43	-1.0	-55.99	345.23	7.75	-48.24
O=C(C=CC1=CC=CC=C1C(F)(F)F)N1CCCCC1CC1=NN=N[N-]1	REAL300020214122	1	43	-1.0	-56.01	345.28	7.75	-48.26
O=C(C=CC1=CC=C2NC=CC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214123	0	44	-1.0	-54.31	343.28	6.94	-47.37
O=C(C=CC1=CC=C2NC=CC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214123	1	44	-1.0	-54.31	343.33	6.96	-47.35
COC(=O)C1=COC(C=CC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020214124	0	43	-1.0	-52.71	351.10	5.81	-46.90
COC(=O)C1=COC(C=CC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020214124	1	43	-1.0	-52.70	351.15	5.82	-46.88
O=C(C1=CN(CC2CCCC2)N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214125	0	49	-1.0	-49.82	366.78	6.67	-43.15
O=C(C1=CN(CC2CCCC2)N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214125	1	49	-1.0	-49.81	366.77	6.67	-43.14
COCCN1C=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020214126	0	43	-1.0	-49.67	337.30	2.77	-46.90
COCCN1C=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020214126	1	43	-1.0	-49.70	337.26	2.76	-46.94
COCCN1N=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1C	REAL300020214127	0	46	-1.0	-48.22	352.80	3.55	-44.67
COCCN1N=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1C	REAL300020214127	1	46	-1.0	-48.17	352.65	3.56	-44.61
CC(=O)N1CCC[C@@H]1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214128	0	43	-1.0	-58.57	326.01	3.64	-54.93
CC(=O)N1CCC[C@@H]1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214128	1	43	-1.0	-58.52	326.07	3.66	-54.86
CC1(C)[C@H](C(=O)N2CCCCC2CC2=N[N-]N=N2)[C@H]1C1=CC=CC=C1	REAL300020214129	0	49	-1.0	-45.34	365.43	8.49	-36.85
CC1(C)[C@H](C(=O)N2CCCCC2CC2=NN=N[N-]2)[C@H]1C1=CC=CC=C1	REAL300020214129	1	49	-1.0	-45.36	365.49	8.51	-36.85
COC1=CC(C)=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1C	REAL300020214130	0	46	-1.0	-50.86	347.31	6.11	-44.75
COC1=CC(C)=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1C	REAL300020214130	1	46	-1.0	-50.88	347.37	6.11	-44.77
O=C(CCC1=CC=C(F)C2=C1CCCC2)N1CCCCC1CC1=N[N-]N=N1	REAL300020214131	0	52	-1.0	-45.79	390.87	9.16	-36.63
O=C(CCC1=CC=C(F)C2=C1CCCC2)N1CCCCC1CC1=NN=N[N-]1	REAL300020214131	1	52	-1.0	-45.77	390.93	9.18	-36.59
O=C(CC1(C2=CC=CC=C2)CC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214132	0	46	-1.0	-43.38	339.50	8.21	-35.17
O=C(CC1(C2=CC=CC=C2)CC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214132	1	46	-1.0	-43.40	339.49	8.22	-35.18
O=C(CC1=COC2=CC(Cl)=CC=C12)N1CCCCC1CC1=N[N-]N=N1	REAL300020214133	0	42	-1.0	-50.12	347.82	7.37	-42.75
O=C(CC1=COC2=CC(Cl)=CC=C12)N1CCCCC1CC1=NN=N[N-]1	REAL300020214133	1	42	-1.0	-50.15	347.87	7.39	-42.76
CCC1=C2C=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)NC2=CC=C1	REAL300020214134	0	46	-1.0	-49.30	352.72	7.16	-42.14
CCC1=C2C=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)NC2=CC=C1	REAL300020214134	1	46	-1.0	-49.34	352.77	7.17	-42.17
COC1=CC=CN=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214135	0	39	-1.0	-54.60	300.55	4.68	-49.92
COC1=CC=CN=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214135	1	39	-1.0	-54.59	300.50	4.67	-49.92
O=C([C@@H]1OCCO[C@@H]1C(F)(F)F)N1CCCCC1CC1=N[N-]N=N1	REAL300020214136	0	41	-1.0	-47.30	312.63	3.40	-43.90
O=C([C@@H]1OCCO[C@@H]1C(F)(F)F)N1CCCCC1CC1=NN=N[N-]1	REAL300020214136	1	41	-1.0	-47.30	312.66	3.39	-43.91
O=C(CCC1=CC=C(F)C2=CC=CC=C12)N1CCCCC1CC1=N[N-]N=N1	REAL300020214137	0	48	-1.0	-47.44	372.26	9.41	-38.03
O=C(CCC1=CC=C(F)C2=CC=CC=C12)N1CCCCC1CC1=NN=N[N-]1	REAL300020214137	1	48	-1.0	-47.44	372.31	9.42	-38.02
CCOC(=O)C1(CC(=O)N2CCCCC2CC2=N[N-]N=N2)CCOCC1	REAL300020214138	0	52	-1.0	-40.64	365.22	6.23	-34.41
CCOC(=O)C1(CC(=O)N2CCCCC2CC2=NN=N[N-]2)CCOCC1	REAL300020214138	1	52	-1.0	-40.65	365.22	6.24	-34.41
O=C(C1=CC(O)=CC(Br)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214139	0	37	-1.0	-48.88	309.64	3.10	-45.78
O=C(C1=CC(O)=CC(Br)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214139	1	37	-1.0	-48.86	309.68	3.10	-45.76
CCC(C(=O)N1CCCCC1CC1=N[N-]N=N1)C1=CC=C(Br)C=C1	REAL300020214140	0	45	-1.0	-48.75	357.77	8.27	-40.48
CCC(C(=O)N1CCCCC1CC1=NN=N[N-]1)C1=CC=C(Br)C=C1	REAL300020214140	1	45	-1.0	-48.71	357.79	8.28	-40.43
O=C(C1C2CC3=CC(Cl)=CC=C3C21)N1CCCCC1CC1=N[N-]N=N1	REAL300020214141	0	44	-1.0	-44.60	358.52	8.41	-36.19
O=C(C1C2CC3=CC(Cl)=CC=C3C21)N1CCCCC1CC1=NN=N[N-]1	REAL300020214141	1	44	-1.0	-44.55	358.59	8.44	-36.11
O=C(CCCC1=CC=C2OCCCOC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214142	0	54	-1.0	-52.85	408.83	7.98	-44.87
O=C(CCCC1=CC=C2OCCCOC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214142	1	54	-1.0	-52.84	408.89	7.98	-44.86
COC1=CC=C(C2=CN=CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=C2)C(C)=C1	REAL300020214143	0	52	-1.0	-48.99	400.43	6.82	-42.17
COC1=CC=C(C2=CN=CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=C2)C(C)=C1	REAL300020214143	1	52	-1.0	-48.99	400.40	6.82	-42.17
O=C(C1CC2CC1C1CC12)N1CCCCC1CC1=N[N-]N=N1	REAL300020214144	0	44	-1.0	-49.14	308.12	6.62	-42.52
O=C(C1CC2CC1C1CC12)N1CCCCC1CC1=NN=N[N-]1	REAL300020214144	1	44	-1.0	-49.19	308.17	6.62	-42.57
O=C(C1CC2=CC=C(Cl)C=C21)N1CCCCC1CC1=N[N-]N=N1	REAL300020214145	0	40	-1.0	-45.83	329.24	7.09	-38.74
O=C(C1CC2=CC=C(Cl)C=C21)N1CCCCC1CC1=NN=N[N-]1	REAL300020214145	1	40	-1.0	-45.88	329.30	7.11	-38.77
O=C(C1=CC=C(C2CCOCC2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214146	0	50	-1.0	-49.27	372.24	6.76	-42.51
O=C(C1=CC=C(C2CCOCC2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214146	1	50	-1.0	-49.29	372.27	6.78	-42.51
CCN1C=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C(C)=N1	REAL300020214147	0	42	-1.0	-52.33	319.30	4.45	-47.88
CCN1C=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C(C)=N1	REAL300020214147	1	42	-1.0	-52.35	319.32	4.47	-47.88
N#CC1=CC=C(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020214148	0	39	-1.0	-52.50	323.60	4.56	-47.94
N#CC1=CC=C(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020214148	1	39	-1.0	-52.48	323.53	4.56	-47.92
CN1CC(=O)NC2=CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=CN=C21	REAL300020214149	0	45	-1.0	-48.16	349.62	1.24	-46.92
CN1CC(=O)NC2=CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=CN=C21	REAL300020214149	1	45	-1.0	-48.08	349.59	1.25	-46.83
CC1=CC(Br)=C(F)C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020214150	0	39	-1.0	-51.07	325.37	6.67	-44.40
CC1=CC(Br)=C(F)C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020214150	1	39	-1.0	-51.06	325.36	6.68	-44.38
O=C(C1=CC=C(C2=CC=CC(Cl)=C2)NC1=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214151	0	46	-1.0	-52.62	367.84	6.13	-46.49
O=C(C1=CC=C(C2=CC=CC(Cl)=C2)NC1=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214151	1	46	-1.0	-52.60	367.78	6.11	-46.49
CN(C1=NC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CS1)C1=CC=CC=C1	REAL300020214152	0	47	-1.0	-50.44	379.55	8.54	-41.90
CN(C1=NC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CS1)C1=CC=CC=C1	REAL300020214152	1	47	-1.0	-50.40	379.50	8.54	-41.86
COC1=CC=C(C=CC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1O	REAL300020214153	0	45	-1.0	-52.40	351.83	4.07	-48.33
COC1=CC=C(C=CC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1O	REAL300020214153	1	45	-1.0	-52.35	351.89	4.08	-48.27
O=C(C=CC1=C(C(F)(F)F)SC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214154	0	40	-1.0	-53.89	337.37	6.88	-47.01
O=C(C=CC1=C(C(F)(F)F)SC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214154	1	40	-1.0	-53.90	337.42	6.89	-47.01
O=C(C1=CC2=NC=CC=C2C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214155	0	41	-1.0	-53.96	321.39	5.77	-48.19
O=C(C1=CC2=NC=CC=C2C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214155	1	41	-1.0	-53.98	321.36	5.75	-48.23
O=C(CCC1=CC=C(C(F)F)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214156	0	45	-1.0	-46.89	361.55	7.77	-39.12
O=C(CCC1=CC=C(C(F)F)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214156	1	45	-1.0	-46.88	361.61	7.79	-39.09
O=C(C1=CN=CC(C(F)F)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214157	0	38	-1.0	-50.55	309.15	4.46	-46.09
O=C(C1=CN=CC(C(F)F)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214157	1	38	-1.0	-50.53	309.10	4.47	-46.06
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)SC(C2CCOC2)=N1	REAL300020214158	0	46	-1.0	-49.35	359.50	4.15	-45.20
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)SC(C2CCOC2)=N1	REAL300020214158	1	46	-1.0	-49.46	359.81	4.16	-45.30
CN1C=C(CNC2=CC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2)C=N1	REAL300020214159	0	51	-1.0	-53.04	398.81	5.83	-47.21
CN1C=C(CNC2=CC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2)C=N1	REAL300020214159	1	51	-1.0	-53.08	398.77	5.80	-47.28
CN1C=CN=C1CNC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020214160	0	51	-1.0	-55.25	395.61	6.34	-48.91
CN1C=CN=C1CNC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020214160	1	51	-1.0	-55.24	395.65	6.36	-48.88
NC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)SC2=NC=CC=C12	REAL300020214161	0	40	-1.0	-48.65	320.53	3.22	-45.43
NC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)SC2=NC=CC=C12	REAL300020214161	1	40	-1.0	-48.65	320.50	3.22	-45.43
O=C(C1=CN=C(NC2CC2)S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214162	0	41	-1.0	-49.47	332.72	4.20	-45.27
O=C(C1=CN=C(NC2CC2)S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214162	1	41	-1.0	-49.52	332.67	4.19	-45.33
O=C(C1=CC=C(NCCC2=CC=CC=N2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214163	0	53	-1.0	-53.08	410.04	6.92	-46.16
O=C(C1=CC=C(NCCC2=CC=CC=N2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214163	1	53	-1.0	-53.11	410.04	6.94	-46.17
O=C(C1=CC=C(NCCN2C=CN=C2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214164	0	51	-1.0	-55.54	396.34	7.51	-48.03
O=C(C1=CC=C(NCCN2C=CN=C2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214164	1	51	-1.0	-55.48	396.33	7.53	-47.95
O=C(C1=C2N=CC=CN2C=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214165	0	38	-1.0	-65.53	300.77	6.73	-58.80
O=C(C1=C2N=CC=CN2C=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214165	1	38	-1.0	-65.52	300.72	6.71	-58.81
O=C(C1=CC=C(NCC2=CSC=C2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214166	0	48	-1.0	-49.81	385.94	6.94	-42.87
O=C(C1=CC=C(NCC2=CSC=C2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214166	1	48	-1.0	-49.82	385.97	6.97	-42.85
CC(C(=O)N1CCCCC1CC1=N[N-]N=N1)C1=CC=C(C#N)C=C1	REAL300020214167	0	43	-1.0	-49.36	336.43	7.21	-42.15
CC(C(=O)N1CCCCC1CC1=NN=N[N-]1)C1=CC=C(C#N)C=C1	REAL300020214167	1	43	-1.0	-49.39	336.56	7.21	-42.18
CCOC(C(=O)N1CCCCC1CC1=N[N-]N=N1)C1CCOC1	REAL300020214168	0	47	-1.0	-41.44	341.37	3.42	-38.02
CCOC(C(=O)N1CCCCC1CC1=NN=N[N-]1)C1CCOC1	REAL300020214168	1	47	-1.0	-41.44	341.41	3.42	-38.02
CC(C(=O)N1CCCCC1CC1=N[N-]N=N1)C(C)C(C)(C)C	REAL300020214169	0	50	-1.0	-48.35	323.04	6.09	-42.26
CC(C(=O)N1CCCCC1CC1=NN=N[N-]1)C(C)C(C)(C)C	REAL300020214169	1	50	-1.0	-48.34	323.07	6.09	-42.25
COC1=CC=CC=C1C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020214170	0	47	-1.0	-52.92	379.32	7.85	-45.07
COC1=CC=CC=C1C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020214170	1	47	-1.0	-52.92	379.36	7.86	-45.06
CC(C)(C)CC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020214171	0	51	-1.0	-48.56	374.67	8.35	-40.21
CC(C)(C)CC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020214171	1	51	-1.0	-48.58	374.68	8.36	-40.22
CCOC1COCCC1CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214172	0	50	-1.0	-48.52	362.98	4.81	-43.71
CCOC1COCCC1CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214172	1	50	-1.0	-48.51	363.01	4.81	-43.70
O=C(C=CCCC1=CC=CC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214173	0	46	-1.0	-48.78	358.10	8.57	-40.21
O=C(C=CCCC1=CC=CC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214173	1	46	-1.0	-48.78	358.16	8.59	-40.19
O=C(C=CCOC1CCOCC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214174	0	48	-1.0	-51.13	364.01	4.33	-46.80
O=C(C=CCOC1CCOCC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214174	1	48	-1.0	-51.14	364.06	4.33	-46.81
O=C(C=CC1=CC=C(Cl)N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214175	0	39	-1.0	-47.22	323.70	5.56	-41.66
O=C(C=CC1=CC=C(Cl)N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214175	1	39	-1.0	-47.22	323.75	5.58	-41.64
COC(=O)C1=CC=C(C=CC(=O)N2CCCCC2CC2=N[N-]N=N2)O1	REAL300020214176	0	43	-1.0	-47.59	352.59	5.96	-41.63
COC(=O)C1=CC=C(C=CC(=O)N2CCCCC2CC2=NN=N[N-]2)O1	REAL300020214176	1	43	-1.0	-47.57	352.65	5.96	-41.61
CN1C=C(C2=CC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2)C=N1	REAL300020214177	0	46	-1.0	-52.88	360.17	6.69	-46.19
CN1C=C(C2=CC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2)C=N1	REAL300020214177	1	46	-1.0	-52.94	360.14	6.68	-46.26
CC1=NN(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C(C(F)F)=C1	REAL300020214178	0	42	-1.0	-48.67	339.79	4.76	-43.91
CC1=NN(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C(C(F)F)=C1	REAL300020214178	1	42	-1.0	-48.72	339.85	4.78	-43.94
O=C(CC1=CN2C=C(F)C=CC2=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214179	0	42	-1.0	-56.47	340.45	6.77	-49.70
O=C(CC1=CN2C=C(F)C=CC2=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214179	1	42	-1.0	-56.46	340.51	6.79	-49.67
CCOC(=O)[C@@H]1CC[C@H](C(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020214180	0	48	-1.0	-59.28	358.75	6.74	-52.54
CCOC(=O)[C@@H]1CC[C@H](C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020214180	1	48	-1.0	-59.32	358.80	6.72	-52.60
COC(=O)C1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1C	REAL300020214181	0	45	-1.0	-48.73	350.31	6.56	-42.17
COC(=O)C1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1C	REAL300020214181	1	45	-1.0	-48.75	350.34	6.56	-42.19
COC1=CN=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C(F)=C1	REAL300020214182	0	39	-1.0	-52.88	307.14	3.80	-49.08
COC1=CN=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C(F)=C1	REAL300020214182	1	39	-1.0	-52.91	307.09	3.80	-49.11
CC(C)(C)N1C=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C1=O	REAL300020214183	0	48	-1.0	-64.51	353.96	6.02	-58.49
CC(C)(C)N1C=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C1=O	REAL300020214183	1	48	-1.0	-64.53	354.01	6.02	-58.51
CC1=NC2=CC=CC(Cl)=C2C=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214184	0	44	-1.0	-43.39	356.41	7.24	-36.15
CC1=NC2=CC=CC(Cl)=C2C=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214184	1	44	-1.0	-43.34	356.47	7.23	-36.11
CC1=CSC2=NC(CC(=O)N3CCCCC3CC3=N[N-]N=N3)=CN12	REAL300020214185	0	42	-1.0	-60.24	345.94	6.45	-53.79
CC1=CSC2=NC(CC(=O)N3CCCCC3CC3=NN=N[N-]3)=CN12	REAL300020214185	1	42	-1.0	-60.26	346.01	6.48	-53.78
O=C(CN1C=NC=C1C1=CC=CC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214186	0	46	-1.0	-52.93	359.53	8.09	-44.84
O=C(CN1C=NC=C1C1=CC=CC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214186	1	46	-1.0	-53.01	359.59	8.10	-44.91
O=C(C1=CC(Br)=CN2C=CN=C12)N1CCCCC1CC1=NN=N[N-]1	REAL300020214187	0	39	-1.0	-52.97	321.46	6.88	-46.09
O=C(C1=CC(Br)=CN2C=CN=C12)N1CCCCC1CC1=N[N-]N=N1	REAL300020214187	1	39	-1.0	-53.02	321.42	6.88	-46.14
CC1=NN(CC(C)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020214188	0	45	-1.0	-45.50	338.34	5.63	-39.87
CC1=NN(CC(C)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020214188	1	45	-1.0	-45.55	338.39	5.64	-39.91
O=C(C1=CC=CN(C2CC2)C1=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214189	0	43	-1.0	-65.02	329.72	5.63	-59.39
O=C(C1=CC=CN(C2CC2)C1=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214189	1	43	-1.0	-64.99	329.78	5.64	-59.35
O=C(CN1CCCCC(=O)C1=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214190	0	45	-1.0	-46.05	338.78	4.63	-41.42
O=C(CN1CCCCC(=O)C1=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214190	1	45	-1.0	-46.04	338.83	4.63	-41.41
O=C(C1CC2CCCCC(C1)C2=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214191	0	51	-1.0	-47.81	352.12	6.78	-41.03
O=C(C1CC2CCCCC(C1)C2=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214191	1	51	-1.0	-47.82	352.13	6.80	-41.02
CC1=CN=C(F)C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020214192	0	38	-1.0	-53.07	300.06	4.12	-48.95
CC1=CN=C(F)C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020214192	1	38	-1.0	-53.06	300.09	4.11	-48.95
CC1=CC(F)=NC=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214193	0	38	-1.0	-45.83	299.52	4.15	-41.68
CC1=CC(F)=NC=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214193	1	38	-1.0	-45.82	299.57	4.17	-41.65
C[C@@H]1C[C@H](C(F)(F)F)N2N=CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=C2N1	REAL300020214194	0	48	-1.0	-53.66	376.09	4.64	-49.02
C[C@@H]1C[C@H](C(F)(F)F)N2N=CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=C2N1	REAL300020214194	1	48	-1.0	-53.69	376.10	4.63	-49.06
CC(C)(C)OC(=O)NC(CO)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214195	0	50	-1.0	-47.53	376.35	-0.08	-47.61
CC(C)(C)OC(=O)NC(CO)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214195	1	50	-1.0	-47.58	376.41	-0.07	-47.65
O=C(CC1=NC(F)=C(F)C=C1F)N1CCCCC1CC1=N[N-]N=N1	REAL300020214196	0	38	-1.0	-48.98	320.98	4.23	-44.75
O=C(CC1=NC(F)=C(F)C=C1F)N1CCCCC1CC1=NN=N[N-]1	REAL300020214196	1	38	-1.0	-48.95	321.04	4.25	-44.70
COC1=NSC=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214197	0	36	-1.0	-55.12	291.83	1.86	-53.26
COC1=NSC=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214197	1	36	-1.0	-55.09	291.78	1.84	-53.25
C=CC(=O)NC1=CC=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020214198	0	44	-1.0	-63.02	348.63	4.80	-58.22
C=CC(=O)NC1=CC=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020214198	1	44	-1.0	-63.07	348.68	4.79	-58.28
O=C(C=CC1=CC=CC(O)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214199	0	41	-1.0	-52.03	322.71	4.06	-47.97
O=C(C=CC1=CC=CC(O)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214199	1	41	-1.0	-52.05	322.76	4.07	-47.98
CCOC1CC2(CC2C(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020214200	0	47	-1.0	-48.95	355.64	6.13	-42.82
CCOC1CC2(CC2C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020214200	1	47	-1.0	-48.92	355.69	6.15	-42.77
NC(=O)[C@@H]1CC[C@H](CCC(=O)N2CCCCC2CC2=N[N-]N=N2)O1	REAL300020214201	0	47	-1.0	-63.28	359.22	2.48	-60.80
NC(=O)[C@@H]1CC[C@H](CCC(=O)N2CCCCC2CC2=NN=N[N-]2)O1	REAL300020214201	1	47	-1.0	-63.35	359.28	2.49	-60.86
CCC1=CC2=C(SC=C2CC(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020214202	0	45	-1.0	-50.03	374.25	8.52	-41.51
CCC1=CC2=C(SC=C2CC(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020214202	1	45	-1.0	-50.06	374.30	8.53	-41.53
O=C(C1=CN(C(F)F)N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214203	0	36	-1.0	-51.22	294.69	3.00	-48.22
O=C(C1=CN(C(F)F)N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214203	1	36	-1.0	-51.17	294.65	2.98	-48.19
O=C(C1=CC(C(F)(F)F)=NC=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214204	0	37	-1.0	-45.03	308.69	5.37	-39.66
O=C(C1=CC(C(F)(F)F)=NC=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214204	1	37	-1.0	-45.08	308.64	5.35	-39.73
O=C(CC1=COC2=C(Cl)C(Cl)=CC=C12)N1CCCCC1CC1=N[N-]N=N1	REAL300020214205	0	42	-1.0	-47.95	362.83	7.79	-40.16
O=C(CC1=COC2=C(Cl)C(Cl)=CC=C12)N1CCCCC1CC1=NN=N[N-]1	REAL300020214205	1	42	-1.0	-47.99	362.88	7.80	-40.19
CCCC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020214206	0	42	-1.0	-48.84	333.90	6.69	-42.15
CCCC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020214206	1	42	-1.0	-48.90	333.95	6.70	-42.20
CCOCCCCCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214207	0	48	-1.0	-50.16	363.10	5.82	-44.34
CCOCCCCCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214207	1	48	-1.0	-50.12	363.15	5.83	-44.29
O=C(CCCOC1CCOCC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214208	0	50	-1.0	-52.56	373.20	4.54	-48.02
O=C(CCCOC1CCOCC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214208	1	50	-1.0	-52.55	373.25	4.54	-48.01
CC1(C)CNC(=O)C2=C(C1)OC=C2C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214209	0	50	-1.0	-58.79	377.73	3.81	-54.98
CC1(C)CNC(=O)C2=C(C1)OC=C2C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214209	1	50	-1.0	-58.83	377.79	3.82	-55.01
O=C(C1=NC=C2CCCCN21)N1CCCCC1CC1=NN=N[N-]1	REAL300020214210	0	43	-1.0	-49.03	319.85	6.40	-42.63
O=C(C1=NC=C2CCCCN21)N1CCCCC1CC1=N[N-]N=N1	REAL300020214210	1	43	-1.0	-48.99	319.80	6.38	-42.61
CC(C)(C)C(=O)NCC(=O)OCCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214211	0	54	-1.0	-51.93	417.81	4.93	-47.00
CC(C)(C)C(=O)NCC(=O)OCCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214211	1	54	-1.0	-51.93	417.86	4.93	-47.00
CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](C(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020214212	0	59	-1.0	-50.02	422.63	6.05	-43.97
CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020214212	1	59	-1.0	-50.00	422.68	6.07	-43.93
CCN1C=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C(C2CC2)=N1	REAL300020214213	0	46	-1.0	-51.84	354.28	6.15	-45.69
CCN1C=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C(C2CC2)=N1	REAL300020214213	1	46	-1.0	-51.88	354.30	6.16	-45.72
CC1=CC2=C(SC=C2CC(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020214214	0	42	-1.0	-49.37	356.38	7.42	-41.95
CC1=CC2=C(SC=C2CC(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020214214	1	42	-1.0	-49.33	356.44	7.45	-41.88
CC(C)(C)OC(=O)NC1CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020214215	0	53	-1.0	-47.80	398.74	4.19	-43.61
CC(C)(C)OC(=O)NC1CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020214215	1	53	-1.0	-47.81	398.81	4.20	-43.61
C[C@H](CC(=O)N1CCCCC1CC1=N[N-]N=N1)NC(=O)OC(C)(C)C	REAL300020214216	0	52	-1.0	-55.05	393.78	4.13	-50.92
C[C@H](CC(=O)N1CCCCC1CC1=NN=N[N-]1)NC(=O)OC(C)(C)C	REAL300020214216	1	52	-1.0	-55.04	393.85	4.15	-50.89
CC(C)(C)OC(=O)N(CCC(=O)N1CCCCC1CC1=N[N-]N=N1)CC1CC1	REAL300020214217	0	59	-1.0	-48.21	446.30	7.99	-40.22
CC(C)(C)OC(=O)N(CCC(=O)N1CCCCC1CC1=NN=N[N-]1)CC1CC1	REAL300020214217	1	59	-1.0	-48.19	446.39	8.00	-40.19
COC(C(=O)OC(C)(C)C)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214218	0	48	-1.0	-57.45	359.99	5.59	-51.86
COC(C(=O)OC(C)(C)C)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214218	1	48	-1.0	-57.52	360.04	5.59	-51.93
O=C(CCC1=CC=CC2=CC=CC=C21)N1CCCCC1CC1=N[N-]N=N1	REAL300020214219	0	48	-1.0	-47.17	371.62	8.97	-38.20
O=C(CCC1=CC=CC2=CC=CC=C21)N1CCCCC1CC1=NN=N[N-]1	REAL300020214219	1	48	-1.0	-47.13	371.68	8.98	-38.15
CC(CCC1=CC=C(F)C=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214220	0	48	-1.0	-50.21	368.14	8.46	-41.75
CC(CCC1=CC=C(F)C=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214220	1	48	-1.0	-50.22	368.19	8.48	-41.74
CC(C)(CC(=O)N1CCCCC1CC1=N[N-]N=N1)C1=CC=C(F)C=C1	REAL300020214221	0	48	-1.0	-44.11	351.76	8.15	-35.96
CC(C)(CC(=O)N1CCCCC1CC1=NN=N[N-]1)C1=CC=C(F)C=C1	REAL300020214221	1	48	-1.0	-44.15	351.80	8.16	-35.99
O=C(C1=CC2=C(Cl)N=CC=C2S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214222	0	38	-1.0	-48.67	328.77	5.36	-43.31
O=C(C1=CC2=C(Cl)N=CC=C2S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214222	1	38	-1.0	-48.66	328.71	5.34	-43.32
COCC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1F	REAL300020214223	0	43	-1.0	-47.08	338.64	5.32	-41.76
COCC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1F	REAL300020214223	1	43	-1.0	-47.10	338.67	5.33	-41.77
CCN1N=CN=C1C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020214224	0	48	-1.0	-50.24	370.35	7.91	-42.33
CCN1N=CN=C1C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020214224	1	48	-1.0	-50.27	370.31	7.90	-42.37
O=C(CN1C=CC(Br)=CC1=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214225	0	39	-1.0	-62.46	328.62	5.63	-56.83
O=C(CN1C=CC(Br)=CC1=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214225	1	39	-1.0	-62.48	328.67	5.63	-56.85
O=C(C(CC1=CC=CN=C1)C1CCCC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214226	0	54	-1.0	-49.52	374.11	7.34	-42.18
O=C(C(CC1=CC=CN=C1)C1CCCC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214226	1	54	-1.0	-49.44	374.06	7.33	-42.11
O=C(C1=CC2=CC=NC(Cl)=C2S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214227	0	38	-1.0	-47.13	327.37	5.57	-41.56
O=C(C1=CC2=CC=NC(Cl)=C2S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214227	1	38	-1.0	-47.16	327.30	5.56	-41.60
CCS(=O)(=O)C1=CC=C(OC)C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020214228	0	49	-1.0	-55.23	388.24	3.74	-51.49
CCS(=O)(=O)C1=CC=C(OC)C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020214228	1	49	-1.0	-55.20	388.25	3.76	-51.44
O=C(C1=CC=NC(N2C=CC=C2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214229	0	43	-1.0	-47.84	338.08	7.48	-40.36
O=C(C1=CC=NC(N2C=CC=C2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214229	1	43	-1.0	-47.84	338.04	7.48	-40.36
O=C(C1CCC12CCOCC2)N1CCCCC1CC1=N[N-]N=N1	REAL300020214230	0	47	-1.0	-50.52	315.47	5.15	-45.37
O=C(C1CCC12CCOCC2)N1CCCCC1CC1=NN=N[N-]1	REAL300020214230	1	47	-1.0	-50.52	315.48	5.17	-45.35
O=C(C1=CN2C=CN=C2N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214231	0	38	-1.0	-49.68	301.45	6.45	-43.23
O=C(C1=CN2C=CN=C2N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214231	1	38	-1.0	-49.65	301.43	6.45	-43.20
O=C(C1=CC=CC(OC2=CC=CC=N2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214232	0	46	-1.0	-53.26	366.31	5.75	-47.51
O=C(C1=CC=CC(OC2=CC=CC=N2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214232	1	46	-1.0	-53.27	366.28	5.73	-47.54
CCOC(C(=O)N1CCCCC1CC1=N[N-]N=N1)C1CCOCC1	REAL300020214233	0	50	-1.0	-42.09	356.64	4.16	-37.93
CCOC(C(=O)N1CCCCC1CC1=NN=N[N-]1)C1CCOCC1	REAL300020214233	1	50	-1.0	-42.04	356.69	4.18	-37.86
CCOC(C(=O)N1CCCCC1CC1=N[N-]N=N1)C1CCCC1	REAL300020214234	0	49	-1.0	-54.57	351.50	6.52	-48.05
CCOC(C(=O)N1CCCCC1CC1=NN=N[N-]1)C1CCCC1	REAL300020214234	1	49	-1.0	-54.58	351.49	6.53	-48.05
CC1(C)CC2=CC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2O1	REAL300020214235	0	47	-1.0	-51.55	357.46	6.60	-44.95
CC1(C)CC2=CC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2O1	REAL300020214235	1	47	-1.0	-51.54	357.50	6.62	-44.92
COC(=O)C1=CC=C(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020214236	0	44	-1.0	-53.73	358.39	4.88	-48.85
COC(=O)C1=CC=C(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020214236	1	44	-1.0	-53.71	358.32	4.87	-48.84
O=C(C1=CC(Br)=CC(F)=C1[O-])N1CCCCC1CC1=N[N-]N=N1	REAL300020214237	0	36	-2.0	-111.23	311.60	4.89	-106.34
O=C(C1=CC(Br)=CC(F)=C1[O-])N1CCCCC1CC1=NN=N[N-]1	REAL300020214237	1	36	-2.0	-111.29	311.62	4.89	-106.40
CCN1N=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1C	REAL300020214238	0	42	-1.0	-49.99	320.98	4.45	-45.54
CCN1N=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1C	REAL300020214238	1	42	-1.0	-49.97	321.01	4.45	-45.52
COC1CCN(CC2=CN(C)N=C2C(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020214239	0	55	-1.0	-56.03	414.04	3.47	-52.56
COC1CCN(CC2=CN(C)N=C2C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020214239	1	55	-1.0	-56.03	414.09	3.47	-52.56
COC1CC[N@H+](CC2=CN(C)N=C2C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020214239	1	56	0.0	-52.14	417.78	5.94	-46.20
COC1CC[N@@H+](CC2=CN(C)N=C2C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020214239	1	56	0.0	-46.64	420.86	5.62	-41.02
CN1C=C(CN2CCC(O)C2)C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020214240	0	52	-1.0	-57.39	392.01	1.10	-56.29
CN1C=C(CN2CCC(O)C2)C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020214240	1	52	-1.0	-57.38	392.06	1.11	-56.27
CN1C=C(C[N@@H+]2CCC(O)C2)C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020214240	1	53	0.0	-50.91	399.95	3.25	-47.66
CN1C=C(C[N@H+]2CCC(O)C2)C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020214240	1	53	0.0	-43.75	395.44	3.71	-40.04
CN1CC(N2CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)CC2=O)C1	REAL300020214241	0	49	-1.0	-47.79	364.99	1.19	-46.60
CN1CC(N2CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)CC2=O)C1	REAL300020214241	1	49	-1.0	-47.76	365.05	1.20	-46.56
CC(C)N1N=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1Br	REAL300020214242	0	42	-1.0	-48.16	346.34	5.33	-42.83
CC(C)N1N=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1Br	REAL300020214242	1	42	-1.0	-48.10	346.84	5.30	-42.80
CC(CC(=O)C1=CC=C(F)C=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214243	0	47	-1.0	-45.52	365.86	7.60	-37.92
CC(CC(=O)C1=CC=C(F)C=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214243	1	47	-1.0	-45.56	365.91	7.60	-37.96
CC1NC2=CC=NN2C(C)C1CCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214244	0	54	-1.0	-49.15	378.57	5.46	-43.69
CC1NC2=CC=NN2C(C)C1CCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214244	1	54	-1.0	-49.17	378.52	5.46	-43.71
O=C(C1=CC=C([O-])C(F)=C1F)N1CCCCC1CC1=N[N-]N=N1	REAL300020214245	0	36	-2.0	-99.54	297.02	3.38	-96.16
O=C(C1=CC=C([O-])C(F)=C1F)N1CCCCC1CC1=NN=N[N-]1	REAL300020214245	1	36	-2.0	-99.60	296.98	3.38	-96.22
CSC1=NC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C(=O)N1	REAL300020214246	0	39	-1.0	-49.96	315.99	2.29	-47.67
CSC1=NC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C(=O)N1	REAL300020214246	1	39	-1.0	-49.98	316.03	2.29	-47.69
CSC1=NC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C(=O)[N-]1	REAL300020214246	1	38	-2.0	-111.06	316.41	1.60	-109.46
CSC1=NC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C(=O)[N-]1	REAL300020214246	1	38	-2.0	-111.02	316.47	1.62	-109.40
O=C(N1CCCCC1CC1=N[N-]N=N1)C1(Cl)CC2CCC1O2	REAL300020214247	0	41	-1.0	-50.35	307.34	3.98	-46.37
O=C(N1CCCCC1CC1=NN=N[N-]1)C1(Cl)CC2CCC1O2	REAL300020214247	1	41	-1.0	-50.38	307.39	4.00	-46.38
C=CC(=O)NC1=CC=C(O)C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020214248	0	45	-1.0	-49.57	358.08	2.32	-47.25
C=CC(=O)NC1=CC=C(O)C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020214248	1	45	-1.0	-49.54	358.11	2.33	-47.21
O=CC1=CN(CC(=O)N2CCCCC2CC2=NN=N[N-]2)N=C1C1=CC=CC=C1	REAL300020214249	0	48	-1.0	-65.31	385.19	6.92	-58.39
O=CC1=CN(CC(=O)N2CCCCC2CC2=N[N-]N=N2)N=C1C1=CC=CC=C1	REAL300020214249	1	48	-1.0	-65.31	385.13	6.90	-58.41
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)[N-]C(=O)C(C#N)=C1	REAL300020214250	0	39	-2.0	-107.45	323.76	2.22	-105.23
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)[N-]C(=O)C(C#N)=C1	REAL300020214250	1	39	-2.0	-107.48	323.81	2.23	-105.25
O=C(C1CC2(CSC2)C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214251	0	41	-1.0	-47.03	322.75	5.80	-41.23
O=C(C1CC2(CSC2)C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214251	1	41	-1.0	-47.05	322.81	5.80	-41.25
CN1C2=CC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2N=C1CO	REAL300020214252	0	46	-1.0	-58.21	359.32	3.07	-55.14
CN1C2=CC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2N=C1CO	REAL300020214252	1	46	-1.0	-58.24	359.35	3.08	-55.16
CC1=NC2=CC=C(O)C=C2C=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214253	0	45	-1.0	-42.71	354.12	4.04	-38.67
CC1=NC2=CC=C(O)C=C2C=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214253	1	45	-1.0	-42.73	354.17	4.03	-38.70
O=C(C(CCCO)C1=CC=CC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214254	0	49	-1.0	-47.98	370.33	4.82	-43.16
O=C(C(CCCO)C1=CC=CC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214254	1	49	-1.0	-47.97	370.38	4.84	-43.13
COC1=CC=C(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1O	REAL300020214255	0	44	-1.0	-50.19	343.54	3.63	-46.56
COC1=CC=C(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1O	REAL300020214255	1	44	-1.0	-50.20	343.59	3.65	-46.55
CN1N=C(C(=O)OC(C)(C)C)C=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214256	0	51	-1.0	-44.29	396.22	5.94	-38.35
CN1N=C(C(=O)OC(C)(C)C)C=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214256	1	51	-1.0	-44.26	396.17	5.92	-38.34
CS(C)(=O)=NC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020214257	0	46	-1.0	-65.56	358.96	3.71	-61.85
CS(C)(=O)=NC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020214257	1	46	-1.0	-65.58	358.96	3.72	-61.86
CC(C)(C)C1=CSC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020214258	0	44	-1.0	-56.46	345.12	5.23	-51.23
CC(C)(C)C1=CSC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020214258	1	44	-1.0	-56.49	345.05	5.23	-51.26
O=C(CC1=CC=C(Br)C=C1Cl)N1CCCCC1CC1=N[N-]N=N1	REAL300020214259	0	39	-1.0	-47.65	343.24	7.09	-40.56
O=C(CC1=CC=C(Br)C=C1Cl)N1CCCCC1CC1=NN=N[N-]1	REAL300020214259	1	39	-1.0	-47.67	343.31	7.10	-40.57
O=C(C1=CC2=C(C3CC3)C=CC=C2N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214260	0	47	-1.0	-52.74	362.00	7.83	-44.91
O=C(C1=CC2=C(C3CC3)C=CC=C2N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214260	1	47	-1.0	-52.70	362.13	7.82	-44.88
O=C(C1=CN(CC2CC2)N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214261	0	43	-1.0	-49.47	333.09	5.58	-43.89
O=C(C1=CN(CC2CC2)N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214261	1	43	-1.0	-49.50	333.12	5.59	-43.91
CC1=C(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C(=O)NC(=O)N1	REAL300020214262	0	42	-1.0	-57.27	334.23	0.76	-56.51
CC1=C(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C(=O)NC(=O)N1	REAL300020214262	1	42	-1.0	-57.19	334.30	0.77	-56.42
O=C(CC1C(=O)NC2=CC=C(F)C=C21)N1CCCCC1CC1=N[N-]N=N1	REAL300020214263	0	44	-1.0	-55.48	351.48	5.62	-49.86
O=C(CC1C(=O)NC2=CC=C(F)C=C21)N1CCCCC1CC1=NN=N[N-]1	REAL300020214263	1	44	-1.0	-55.44	351.54	5.62	-49.82
O=C(C1=C2N=CNC2=NC=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214264	0	37	-1.0	-56.98	293.15	5.05	-51.93
O=C(C1=C2N=CNC2=NC=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214264	1	37	-1.0	-56.94	293.20	5.07	-51.87
C=CC(C(=O)N1CCCCC1CC1=N[N-]N=N1)C1=CC=CC=C1	REAL300020214265	0	43	-1.0	-51.25	326.87	7.27	-43.98
C=CC(C(=O)N1CCCCC1CC1=NN=N[N-]1)C1=CC=CC=C1	REAL300020214265	1	43	-1.0	-51.16	326.66	7.31	-43.85
O=CC1=CC=C(C2=CC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C([O-])=C2)O1	REAL300020214266	0	45	-2.0	-123.95	367.63	6.33	-117.62
O=CC1=CC=C(C2=CC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C([O-])=C2)O1	REAL300020214266	1	45	-2.0	-123.90	367.63	6.32	-117.58
O=CC1=CC=C(C2=CC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C(O)=C2)O1	REAL300020214266	1	46	-1.0	-61.35	371.18	5.40	-55.95
O=CC1=CC=C(C2=CC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C(O)=C2)O1	REAL300020214266	1	46	-1.0	-61.36	371.19	5.39	-55.97
CCC(O)CN1C=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)N=N1	REAL300020214267	0	45	-1.0	-49.79	350.13	1.54	-48.25
CCC(O)CN1C=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)N=N1	REAL300020214267	1	45	-1.0	-49.83	350.07	1.53	-48.30
O=C(C(=O)N1CCCCC1CC1=N[N-]N=N1)C1=CNC2=CC(F)=CC=C12	REAL300020214268	0	42	-1.0	-43.08	335.46	5.55	-37.53
O=C(C(=O)N1CCCCC1CC1=NN=N[N-]1)C1=CNC2=CC(F)=CC=C12	REAL300020214268	1	42	-1.0	-43.09	335.51	5.56	-37.53
N#CCS(=O)(=O)C1=CC=C(F)C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020214269	0	43	-1.0	-57.21	364.82	3.56	-53.65
N#CCS(=O)(=O)C1=CC=C(F)C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020214269	1	43	-1.0	-57.23	364.82	3.57	-53.66
O=C(CC1=NC(C2CC2)=CS1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214270	0	42	-1.0	-50.45	343.57	5.26	-45.19
O=C(CC1=NC(C2CC2)=CS1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214270	1	42	-1.0	-50.47	343.63	5.29	-45.18
O=C(C1CCCN2N=CN=C12)N1CCCCC1CC1=N[N-]N=N1	REAL300020214271	0	42	-1.0	-47.41	309.72	6.18	-41.23
O=C(C1CCCN2N=CN=C12)N1CCCCC1CC1=NN=N[N-]1	REAL300020214271	1	42	-1.0	-47.35	309.76	6.20	-41.15
CCCCCCC(O)CCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214272	0	54	-1.0	-46.22	403.15	5.66	-40.56
CCCCCCC(O)CCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214272	1	54	-1.0	-46.23	403.20	5.67	-40.56
O=C(C1=CC=CN2N=CN=C12)N1CCCCC1CC1=NN=N[N-]1	REAL300020214273	0	38	-1.0	-55.73	299.28	5.96	-49.77
O=C(C1=CC=CN2N=CN=C12)N1CCCCC1CC1=N[N-]N=N1	REAL300020214273	1	38	-1.0	-55.71	299.20	5.94	-49.77
O=C(CS(=O)C1=CC=C(Cl)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214274	0	41	-1.0	-56.70	355.21	4.73	-51.97
O=C(CS(=O)C1=CC=C(Cl)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214274	1	41	-1.0	-56.72	355.27	4.74	-51.98
CC1CCC2=NNC=C2C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214275	0	46	-1.0	-51.36	342.11	4.66	-46.70
CC1CCC2=NNC=C2C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214275	1	46	-1.0	-51.47	342.37	4.66	-46.81
O=C([C@@H]1OC[C@@H]2CCC[C@@H]21)N1CCCCC1CC1=N[N-]N=N1	REAL300020214276	0	44	-1.0	-52.31	317.67	4.74	-47.57
O=C([C@@H]1OC[C@@H]2CCC[C@@H]21)N1CCCCC1CC1=NN=N[N-]1	REAL300020214276	1	44	-1.0	-52.30	317.74	4.75	-47.55
O=C(C1=CN=C(CC2CC2)S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214277	0	42	-1.0	-48.17	337.84	5.60	-42.57
O=C(C1=CN=C(CC2CC2)S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214277	1	42	-1.0	-48.21	338.20	5.60	-42.61
O=C(C1=C(Cl)C2=C(F)C=CC=C2S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214278	0	39	-1.0	-53.18	335.36	7.20	-45.98
O=C(C1=C(Cl)C2=C(F)C=CC=C2S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214278	1	39	-1.0	-53.15	335.42	7.20	-45.95
CSC1=NC=CN=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214279	0	38	-1.0	-52.18	309.74	3.54	-48.64
CSC1=NC=CN=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214279	1	38	-1.0	-52.20	309.69	3.53	-48.67
CC1=CC2=C(S1)C(CC(=O)N1CCCCC1CC1=N[N-]N=N1)=CS2	REAL300020214280	0	42	-1.0	-49.71	352.05	7.73	-41.98
CC1=CC2=C(S1)C(CC(=O)N1CCCCC1CC1=NN=N[N-]1)=CS2	REAL300020214280	1	42	-1.0	-49.74	352.10	7.74	-42.00
CN1N=C2CCSCC2=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214281	0	44	-1.0	-48.50	348.65	5.47	-43.03
CN1N=C2CCSCC2=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214281	1	44	-1.0	-48.51	348.70	5.48	-43.03
CCCCNC1=NC(CC(=O)N2CCCCC2CC2=N[N-]N=N2)=CS1	REAL300020214282	0	49	-1.0	-52.14	392.57	5.49	-46.65
CCCCNC1=NC(CC(=O)N2CCCCC2CC2=NN=N[N-]2)=CS1	REAL300020214282	1	49	-1.0	-52.14	392.63	5.50	-46.64
CC1(NC2=NC(CC(=O)N3CCCCC3CC3=N[N-]N=N3)=CS2)CCCC1	REAL300020214283	0	53	-1.0	-53.26	404.74	5.94	-47.32
CC1(NC2=NC(CC(=O)N3CCCCC3CC3=NN=N[N-]3)=CS2)CCCC1	REAL300020214283	1	53	-1.0	-53.25	404.80	5.95	-47.30
CNC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)N=C1	REAL300020214284	0	40	-1.0	-51.60	308.16	3.23	-48.37
CNC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)N=C1	REAL300020214284	1	40	-1.0	-51.60	308.11	3.23	-48.37
O=C(CCCC(=O)N1CCCCC1CC1=N[N-]N=N1)C1=CC=CC=C1	REAL300020214285	0	47	-1.0	-60.50	366.22	7.85	-52.65
O=C(CCCC(=O)N1CCCCC1CC1=NN=N[N-]1)C1=CC=CC=C1	REAL300020214285	1	47	-1.0	-60.54	366.27	7.86	-52.68
O=C(C1=CC2=CC(F)=CC=C2NC1=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214286	0	42	-1.0	-51.47	331.30	4.15	-47.32
O=C(C1=CC2=CC(F)=CC=C2NC1=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214286	1	42	-1.0	-51.46	331.38	4.15	-47.31
O=C(C1=CC=C(CN2CCOCC2)O1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214287	0	49	-1.0	-48.85	369.94	3.05	-45.80
O=C(C1=CC=C(CN2CCOCC2)O1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214287	1	49	-1.0	-48.88	369.99	3.06	-45.82
CN1CCC(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C1=O	REAL300020214288	0	43	-1.0	-62.50	327.98	4.88	-57.62
CN1CCC(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C1=O	REAL300020214288	1	43	-1.0	-62.42	328.04	4.90	-57.52
O=C(C1=CN(CC2CNC(=O)O2)N=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214289	0	44	-1.0	-58.67	351.71	0.23	-58.44
O=C(C1=CN(CC2CNC(=O)O2)N=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214289	1	44	-1.0	-58.66	351.65	0.22	-58.44
CC1=CC=NC(OC2=CC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2)=C1	REAL300020214290	0	49	-1.0	-51.34	387.42	6.41	-44.93
CC1=CC=NC(OC2=CC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2)=C1	REAL300020214290	1	49	-1.0	-51.35	387.46	6.42	-44.93
O=C(C1=CSC(C2=NC=CN2)=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214291	0	39	-1.0	-54.89	324.59	3.78	-51.11
O=C(C1=CSC(C2=NC=CN2)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214291	1	39	-1.0	-54.88	324.64	3.79	-51.09
CC(SC1=NC(CC(=O)N2CCCCC2CC2=N[N-]N=N2)=CS1)C(N)=O	REAL300020214292	0	46	-1.0	-64.44	385.93	1.43	-63.01
CC(SC1=NC(CC(=O)N2CCCCC2CC2=NN=N[N-]2)=CS1)C(N)=O	REAL300020214292	1	46	-1.0	-64.41	385.99	1.46	-62.95
CC1=CC(C)=C(CC(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020214293	0	42	-1.0	-50.23	333.77	6.96	-43.27
CC1=CC(C)=C(CC(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020214293	1	42	-1.0	-50.26	333.82	6.98	-43.28
CC(C)(C)OC(=O)CCC1CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)CO1	REAL300020214294	0	58	-1.0	-50.13	426.31	7.07	-43.06
CC(C)(C)OC(=O)CCC1CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)CO1	REAL300020214294	1	58	-1.0	-50.14	426.36	7.07	-43.07
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@@H]2C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214295	0	54	-1.0	-48.82	396.97	6.44	-42.38
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@@H]2C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214295	1	54	-1.0	-48.82	397.02	6.44	-42.38
COCCC(NC(=O)OC(C)(C)C)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214296	0	56	-1.0	-46.56	413.18	2.78	-43.78
COCCC(NC(=O)OC(C)(C)C)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214296	1	56	-1.0	-46.59	413.25	2.79	-43.80
CC(C)(C)OC(=O)N1CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)C(C)(C)C1	REAL300020214297	0	59	-1.0	-54.01	428.27	6.01	-48.00
CC(C)(C)OC(=O)N1CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)C(C)(C)C1	REAL300020214297	1	59	-1.0	-54.05	428.35	6.00	-48.05
O=C(CC1=CC=C(F)C=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214298	0	38	-1.0	-53.13	306.77	4.63	-48.50
O=C(CC1=CC=C(F)C=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214298	1	38	-1.0	-53.14	306.83	4.64	-48.50
CC(C)(C)OC(=O)NC1=CC=NC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020214299	0	52	-1.0	-62.11	395.53	4.67	-57.44
CC(C)(C)OC(=O)NC1=CC=NC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020214299	1	52	-1.0	-62.12	395.58	4.68	-57.44
CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214300	0	53	-1.0	-50.17	397.74	2.72	-47.45
CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214300	1	53	-1.0	-50.15	397.74	2.73	-47.42
CC(C)C[C@@H](C(=O)N1CCCCC1CC1=N[N-]N=N1)N(C)C(=O)OC(C)(C)C	REAL300020214301	0	61	-1.0	-52.71	436.13	7.85	-44.86
CC(C)C[C@@H](C(=O)N1CCCCC1CC1=NN=N[N-]1)N(C)C(=O)OC(C)(C)C	REAL300020214301	1	61	-1.0	-52.77	436.13	7.86	-44.91
O=C(C(O)C1=CC=CC=C1C(F)(F)F)N1CCCCC1CC1=N[N-]N=N1	REAL300020214302	0	43	-1.0	-45.00	340.59	3.98	-41.02
O=C(C(O)C1=CC=CC=C1C(F)(F)F)N1CCCCC1CC1=NN=N[N-]1	REAL300020214302	1	43	-1.0	-45.02	340.64	4.00	-41.02
CC(C)(C)C1=CC=C(C(F)(F)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020214303	0	51	-1.0	-46.80	386.34	8.79	-38.01
CC(C)(C)C1=CC=C(C(F)(F)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020214303	1	51	-1.0	-46.77	386.39	8.79	-37.98
CC1=CN=C(Cl)C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020214304	0	38	-1.0	-50.11	308.57	4.59	-45.52
CC1=CN=C(Cl)C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020214304	1	38	-1.0	-50.09	308.60	4.58	-45.51
O=C(C=CC1=CC=CC=C1F)N1CCCCC1CC1=N[N-]N=N1	REAL300020214305	0	40	-1.0	-54.68	317.21	6.96	-47.72
O=C(C=CC1=CC=CC=C1F)N1CCCCC1CC1=NN=N[N-]1	REAL300020214305	1	40	-1.0	-54.71	317.26	6.97	-47.74
O=C(C=CC1=CC=C2OCOC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214306	0	43	-1.0	-51.75	337.99	5.58	-46.17
O=C(C=CC1=CC=C2OCOC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214306	1	43	-1.0	-51.73	338.04	5.59	-46.14
CC(C)(C)OC(=O)NC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=N1	REAL300020214307	0	52	-1.0	-49.91	398.03	5.35	-44.56
CC(C)(C)OC(=O)NC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=N1	REAL300020214307	1	52	-1.0	-49.86	398.06	5.35	-44.51
O=C(C=CC1=CC=C(F)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214308	0	40	-1.0	-47.74	318.46	6.99	-40.75
O=C(C=CC1=CC=C(F)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214308	1	40	-1.0	-47.73	318.51	6.99	-40.74
C[C@H]1CC[C@H](C2=NC(CC(=O)N3CCCCC3CC3=N[N-]N=N3)=CS2)CC1	REAL300020214309	0	54	-1.0	-49.75	418.22	7.59	-42.16
C[C@H]1CC[C@H](C2=NC(CC(=O)N3CCCCC3CC3=NN=N[N-]3)=CS2)CC1	REAL300020214309	1	54	-1.0	-49.77	418.27	7.61	-42.16
COC1=CC=C(C2=CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=NO2)C=C1	REAL300020214310	0	46	-1.0	-48.39	363.58	6.35	-42.04
COC1=CC=C(C2=CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=NO2)C=C1	REAL300020214310	1	46	-1.0	-48.40	363.52	6.35	-42.05
CCC1=CC=C(C2=CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=NO2)C=C1	REAL300020214311	0	48	-1.0	-48.02	377.44	8.48	-39.54
CCC1=CC=C(C2=CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=NO2)C=C1	REAL300020214311	1	48	-1.0	-47.99	377.38	8.45	-39.54
COC(=O)C1=NN(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020214312	0	42	-1.0	-61.99	339.58	4.57	-57.42
COC(=O)C1=NN(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020214312	1	42	-1.0	-62.01	339.53	4.55	-57.46
COC(=O)C1=NN(CCCC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020214313	0	48	-1.0	-63.27	383.18	5.98	-57.29
COC(=O)C1=NN(CCCC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020214313	1	48	-1.0	-63.21	383.13	5.97	-57.24
CCCCC1=NC(C)=C(CC(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020214314	0	50	-1.0	-49.74	393.86	7.26	-42.48
CCCCC1=NC(C)=C(CC(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020214314	1	50	-1.0	-49.77	393.91	7.27	-42.50
CC1=C(CC(=O)N2CCCCC2CC2=N[N-]N=N2)SC(C2CCC2)=N1	REAL300020214315	0	48	-1.0	-49.93	381.00	6.83	-43.10
CC1=C(CC(=O)N2CCCCC2CC2=NN=N[N-]2)SC(C2CCC2)=N1	REAL300020214315	1	48	-1.0	-49.93	381.06	6.85	-43.08
CC1=C(CC(=O)N2CCCCC2CC2=N[N-]N=N2)SC(C2=NN(C)C=C2)=N1	REAL300020214316	0	48	-1.0	-60.21	392.64	5.75	-54.46
CC1=C(CC(=O)N2CCCCC2CC2=NN=N[N-]2)SC(C2=NN(C)C=C2)=N1	REAL300020214316	1	48	-1.0	-60.19	392.70	5.77	-54.42
NC1=CC(C(F)(F)F)=CC=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214317	0	41	-1.0	-37.67	334.42	5.06	-32.61
NC1=CC(C(F)(F)F)=CC=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214317	1	41	-1.0	-37.64	334.48	5.08	-32.56
NC1=CC(Cl)=CC=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214318	0	38	-1.0	-38.22	312.12	4.57	-33.65
NC1=CC(Cl)=CC=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214318	1	38	-1.0	-38.23	312.18	4.58	-33.65
NC1=CC([N+](=O)[O-])=CC=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214319	0	40	-1.0	-37.11	323.56	4.72	-32.39
NC1=CC([N+](=O)[O-])=CC=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214319	1	40	-1.0	-37.07	323.62	4.74	-32.33
NC1=CC(F)=CC=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214320	0	38	-1.0	-38.25	301.79	4.12	-34.13
NC1=CC(F)=CC=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214320	1	38	-1.0	-38.29	301.85	4.14	-34.15
CS(=O)(=O)C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C(N)=C1	REAL300020214321	0	44	-1.0	-43.61	356.04	1.59	-42.02
CS(=O)(=O)C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C(N)=C1	REAL300020214321	1	44	-1.0	-43.57	356.10	1.61	-41.96
[N-]=[N+]=NC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020214322	0	38	-1.0	-45.77	306.20	3.09	-42.68
[N-]=[N+]=NC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020214322	1	38	-1.0	-45.76	306.21	3.11	-42.65
C=CC(=O)NC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020214323	0	44	-1.0	-61.93	345.38	4.61	-57.32
C=CC(=O)NC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020214323	1	44	-1.0	-61.94	345.42	4.62	-57.32
NC1=CC(Br)=CC=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214324	0	38	-1.0	-38.20	316.69	4.68	-33.52
NC1=CC(Br)=CC=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214324	1	38	-1.0	-38.23	316.75	4.69	-33.54
O=C(C1=CC=C(N2C=CC=C2)C=C1O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214325	0	45	-1.0	-50.95	346.53	5.98	-44.97
O=C(C1=CC=C(N2C=CC=C2)C=C1O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214325	1	45	-1.0	-50.91	346.56	5.98	-44.93
[N-]=[N+]=NC1=CC=CC=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214326	0	38	-1.0	-54.43	303.50	3.10	-51.33
[N-]=[N+]=NC1=CC=CC=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214326	1	38	-1.0	-54.46	303.53	3.11	-51.35
CCS(=O)(=O)C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C(N)=C1	REAL300020214327	0	47	-1.0	-42.93	377.51	2.48	-40.45
CCS(=O)(=O)C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C(N)=C1	REAL300020214327	1	47	-1.0	-42.88	377.57	2.49	-40.39
[N-]=[N+]=NCC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020214328	0	41	-1.0	-50.78	329.68	2.61	-48.17
[N-]=[N+]=NCC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020214328	1	41	-1.0	-50.79	329.68	2.62	-48.17
COC(=O)CCC1=CC=CC=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214329	0	48	-1.0	-55.31	373.03	7.60	-47.71
COC(=O)CCC1=CC=CC=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214329	1	48	-1.0	-55.28	373.08	7.63	-47.65
O=C(C1=CC=C(C2CCC(=O)N2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214330	0	47	-1.0	-53.89	360.67	4.84	-49.05
O=C(C1=CC=C(C2CCC(=O)N2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214330	1	47	-1.0	-53.91	360.71	4.85	-49.06
CC1=NC(C(C)C)=NC=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214331	0	46	-1.0	-41.28	354.44	5.67	-35.61
CC1=NC(C(C)C)=NC=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214331	1	46	-1.0	-41.25	354.49	5.69	-35.56
O=C([C@@H]1C[C@H]2CC[C@@H](C1)S2(=O)=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214332	0	46	-1.0	-62.30	332.43	2.73	-59.57
O=C([C@@H]1C[C@H]2CC[C@@H](C1)S2(=O)=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214332	1	46	-1.0	-62.32	332.50	2.75	-59.57
O=C(C1=CC=CN2N=CC=C12)N1CCCCC1CC1=NN=N[N-]1	REAL300020214333	0	39	-1.0	-46.27	305.02	5.34	-40.93
O=C(C1=CC=CN2N=CC=C12)N1CCCCC1CC1=N[N-]N=N1	REAL300020214333	1	39	-1.0	-46.28	304.99	5.33	-40.95
O=C(C1=CC=C2C(=O)N=CNC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214334	0	41	-1.0	-60.10	328.15	3.85	-56.25
O=C(C1=CC=C2C(=O)N=CNC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214334	1	41	-1.0	-60.11	328.19	3.87	-56.24
O=C(CNC(=O)N1CCCC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214335	0	45	-1.0	-46.39	346.31	2.71	-43.68
O=C(CNC(=O)N1CCCC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214335	1	45	-1.0	-46.40	346.37	2.74	-43.66
O=C(CC1=CC=CC=C1N1CCCC1=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214336	0	50	-1.0	-48.34	388.66	7.62	-40.72
O=C(CC1=CC=CC=C1N1CCCC1=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214336	1	50	-1.0	-48.34	388.73	7.64	-40.70
O=C(C1CCC2=NN=CN2CC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214337	0	45	-1.0	-52.14	330.43	7.06	-45.08
O=C(C1CCC2=NN=CN2CC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214337	1	45	-1.0	-52.14	330.45	7.09	-45.05
COC1=CC=CC=C1C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C(=O)N1	REAL300020214338	0	50	-1.0	-65.09	393.78	5.33	-59.76
COC1=CC=CC=C1C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C(=O)N1	REAL300020214338	1	50	-1.0	-65.16	393.76	5.32	-59.84
CC1=CC=C(OC2=CC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2)N=C1	REAL300020214339	0	49	-1.0	-51.45	386.45	6.31	-45.14
CC1=CC=C(OC2=CC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2)N=C1	REAL300020214339	1	49	-1.0	-51.45	386.41	6.29	-45.16
CC(=O)N(CC(=O)N1CCCCC1CC1=N[N-]N=N1)C1=CC=CC=C1	REAL300020214340	0	46	-1.0	-53.59	348.87	6.35	-47.24
CC(=O)N(CC(=O)N1CCCCC1CC1=NN=N[N-]1)C1=CC=CC=C1	REAL300020214340	1	46	-1.0	-53.57	348.93	6.37	-47.20
CCNC1=NC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1Cl	REAL300020214341	0	43	-1.0	-46.41	348.08	4.92	-41.49
CCNC1=NC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1Cl	REAL300020214341	1	43	-1.0	-46.44	348.05	4.91	-41.53
O=C(C1=C(Br)C=NN1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214342	0	33	-1.0	-46.89	278.85	2.88	-44.01
O=C(C1=C(Br)C=NN1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214342	1	33	-1.0	-46.89	278.93	2.89	-44.00
O=C(C1=CC=CC2=NSN=C21)N1CCCCC1CC1=NN=N[N-]1	REAL300020214343	0	37	-1.0	-54.80	303.07	3.72	-51.08
O=C(C1=CC=CC2=NSN=C21)N1CCCCC1CC1=N[N-]N=N1	REAL300020214343	1	37	-1.0	-54.79	303.07	3.71	-51.08
O=C(C1=COC2=CC(O)=CC=C12)N1CCCCC1CC1=N[N-]N=N1	REAL300020214344	0	40	-1.0	-56.02	322.32	3.01	-53.01
O=C(C1=COC2=CC(O)=CC=C12)N1CCCCC1CC1=NN=N[N-]1	REAL300020214344	1	40	-1.0	-56.77	323.40	2.49	-54.28
O=C(C1=CN=C2C=CNC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214345	0	39	-1.0	-52.98	305.91	3.46	-49.52
O=C(C1=CN=C2C=CNC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214345	1	39	-1.0	-53.03	305.94	3.46	-49.57
COC1=CNC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC1=O	REAL300020214346	0	40	-1.0	-56.16	313.05	3.58	-52.58
COC1=CNC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC1=O	REAL300020214346	1	40	-1.0	-56.25	313.07	3.59	-52.66
CC(C(=O)N1CCCCC1CC1=N[N-]N=N1)C1=CC=CC(O)=C1	REAL300020214347	0	43	-1.0	-49.22	328.62	4.00	-45.22
CC(C(=O)N1CCCCC1CC1=NN=N[N-]1)C1=CC=CC(O)=C1	REAL300020214347	1	43	-1.0	-49.18	328.66	4.01	-45.17
O=C(C1=C(Br)C(=O)[N-]C=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214348	0	34	-2.0	-97.03	293.28	2.33	-94.70
O=C(C1=C(Br)C(=O)NC=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214348	1	35	-1.0	-59.95	291.99	3.71	-56.24
O=C(C1=C(Br)C(=O)[N-]C=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214348	1	34	-2.0	-97.05	293.33	2.36	-94.69
O=C(C1=C(Br)C(=O)NC=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214348	1	35	-1.0	-59.94	291.99	3.72	-56.22
C[NH+](C)CCSC1=NC(CC(=O)N2CCCCC2CC2=N[N-]N=N2)=CS1	REAL300020214349	0	51	0.0	-77.67	412.74	6.41	-71.26
C[NH+](C)CCSC1=NC(CC(=O)N2CCCCC2CC2=NN=N[N-]2)=CS1	REAL300020214349	1	51	0.0	-77.69	412.80	6.42	-71.27
COCCNC1=NC(CC(=O)N2CCCCC2CC2=N[N-]N=N2)=CS1	REAL300020214350	0	47	-1.0	-55.17	383.17	3.03	-52.14
COCCNC1=NC(CC(=O)N2CCCCC2CC2=NN=N[N-]2)=CS1	REAL300020214350	1	47	-1.0	-55.16	383.24	3.04	-52.12
NC1=NN=C(CC(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020214351	0	36	-1.0	-53.49	303.35	1.33	-52.16
NC1=NN=C(CC(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020214351	1	36	-1.0	-53.46	303.41	1.36	-52.10
CC1=CC=C(Cl)C=C1OCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214352	0	43	-1.0	-48.88	353.65	7.06	-41.82
CC1=CC=C(Cl)C=C1OCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214352	1	43	-1.0	-48.88	353.71	7.08	-41.80
CC1=CC(C(F)(F)F)=NC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020214353	0	40	-1.0	-54.22	332.69	5.03	-49.19
CC1=CC(C(F)(F)F)=NC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020214353	1	40	-1.0	-54.23	332.75	5.04	-49.19
O=C(C1=C(C(F)F)C=CS1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214354	0	36	-1.0	-53.24	296.02	5.17	-48.07
O=C(C1=C(C(F)F)C=CS1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214354	1	36	-1.0	-53.26	296.08	5.18	-48.08
O=C([C@@H]1C[C@H]1C1=CC=CC(C(F)(F)F)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214355	0	46	-1.0	-50.27	374.13	8.41	-41.86
O=C([C@@H]1C[C@H]1C1=CC=CC(C(F)(F)F)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214355	1	46	-1.0	-50.27	374.19	8.44	-41.83
CCOC(=O)C(C(=O)N1CCCCC1CC1=N[N-]N=N1)C(C)C	REAL300020214356	0	47	-1.0	-56.96	352.22	6.18	-50.78
CCOC(=O)C(C(=O)N1CCCCC1CC1=NN=N[N-]1)C(C)C	REAL300020214356	1	47	-1.0	-56.97	352.28	6.19	-50.78
O=C(C1=CSC(NC2CCCCC2)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214357	0	50	-1.0	-49.29	383.97	6.69	-42.60
O=C(C1=CSC(NC2CCCCC2)=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214357	1	50	-1.0	-49.27	383.91	6.69	-42.58
CC1(C)CCC(CC(=O)N2CCCCC2CC2=N[N-]N=N2)OC1	REAL300020214358	0	49	-1.0	-52.48	354.20	6.28	-46.20
CC1(C)CCC(CC(=O)N2CCCCC2CC2=NN=N[N-]2)OC1	REAL300020214358	1	49	-1.0	-52.51	354.25	6.31	-46.20
CC(C)(CC(=O)N1CCCCC1CC1=N[N-]N=N1)CC(F)F	REAL300020214359	0	44	-1.0	-43.70	317.69	6.12	-37.58
CC(C)(CC(=O)N1CCCCC1CC1=NN=N[N-]1)CC(F)F	REAL300020214359	1	44	-1.0	-43.78	317.77	6.12	-37.66
O=C(CN1CCCCS1(=O)=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214360	0	44	-1.0	-61.21	345.28	1.71	-59.50
O=C(CN1CCCCS1(=O)=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214360	1	44	-1.0	-61.18	345.34	1.72	-59.46
O=C(C1=CC=C(OC(F)F)C(Cl)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214361	0	40	-1.0	-48.39	335.09	5.52	-42.87
O=C(C1=CC=C(OC(F)F)C(Cl)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214361	1	40	-1.0	-48.39	335.12	5.52	-42.87
CC1=CC2=CC=CC=C2N=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214362	0	44	-1.0	-48.66	343.35	6.62	-42.04
CC1=CC2=CC=CC=C2N=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214362	1	44	-1.0	-48.71	343.29	6.60	-42.11
CCN1C=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1C	REAL300020214363	0	43	-1.0	-52.15	324.56	6.46	-45.69
CCN1C=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1C	REAL300020214363	1	43	-1.0	-52.16	324.62	6.48	-45.68
O=C(C1CCOC2=C(F)C=CC=C21)N1CCCCC1CC1=N[N-]N=N1	REAL300020214364	0	44	-1.0	-49.77	332.47	6.32	-43.45
O=C(C1CCOC2=C(F)C=CC=C21)N1CCCCC1CC1=NN=N[N-]1	REAL300020214364	1	44	-1.0	-49.77	332.53	6.32	-43.45
CS(=O)(=O)C1CCC(C(=O)N2CCCCC2CC2=N[N-]N=N2)CC1	REAL300020214365	0	48	-1.0	-55.84	362.23	3.18	-52.66
CS(=O)(=O)C1CCC(C(=O)N2CCCCC2CC2=NN=N[N-]2)CC1	REAL300020214365	1	48	-1.0	-55.84	362.28	3.19	-52.65
O=C(CN1N=CC2=CC=CN=C21)N1CCCCC1CC1=NN=N[N-]1	REAL300020214366	0	41	-1.0	-55.68	330.54	4.92	-50.76
O=C(CN1N=CC2=CC=CN=C21)N1CCCCC1CC1=N[N-]N=N1	REAL300020214366	1	41	-1.0	-55.69	330.48	4.91	-50.78
CC(C)N1C(=O)CC[C@H]1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214367	0	46	-1.0	-54.04	341.76	4.71	-49.33
CC(C)N1C(=O)CC[C@H]1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214367	1	46	-1.0	-54.01	341.82	4.71	-49.30
O=C(CN1N=C(C(F)F)C=C1C1CC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214368	0	46	-1.0	-52.03	374.54	6.25	-45.78
O=C(CN1N=C(C(F)F)C=C1C1CC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214368	1	46	-1.0	-52.04	374.60	6.27	-45.77
O=C(C1=CC=C(C2=CC=CC(F)=C2)S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214369	0	43	-1.0	-50.19	353.89	8.38	-41.81
O=C(C1=CC=C(C2=CC=CC(F)=C2)S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214369	1	43	-1.0	-50.19	353.93	8.39	-41.80
CCC(CC1=CC=CC(C)=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214370	0	51	-1.0	-46.91	376.07	9.02	-37.89
CCC(CC1=CC=CC(C)=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214370	1	51	-1.0	-46.92	376.12	9.02	-37.90
CC(C)(C)OC1=CC=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020214371	0	49	-1.0	-51.13	361.07	6.52	-44.61
CC(C)(C)OC1=CC=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020214371	1	49	-1.0	-51.17	361.11	6.54	-44.63
CC(C)(C)OC(=O)NCC12CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)(C1)C2	REAL300020214372	0	57	-1.0	-52.22	422.90	5.47	-46.75
CC(C)(C)OC(=O)NCC12CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)(C1)C2	REAL300020214372	1	57	-1.0	-52.26	422.95	5.48	-46.78
CC(C)(C)OC(=O)NC1CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)C1(C)C	REAL300020214373	0	59	-1.0	-46.62	430.14	5.24	-41.38
CC(C)(C)OC(=O)NC1CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)C1(C)C	REAL300020214373	1	59	-1.0	-46.63	430.21	5.25	-41.38
CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)N2CCCCC2CC2=N[N-]N=N2)CC1	REAL300020214374	0	59	-1.0	-52.94	423.77	6.17	-46.77
CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)N2CCCCC2CC2=NN=N[N-]2)CC1	REAL300020214374	1	59	-1.0	-52.96	423.83	6.19	-46.77
CC1=CC=C2OCC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=CC2=C1	REAL300020214375	0	45	-1.0	-51.37	344.00	6.53	-44.84
CC1=CC=C2OCC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=CC2=C1	REAL300020214375	1	45	-1.0	-51.37	344.05	6.53	-44.84
COC1=CC=C(C=CC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1OC	REAL300020214376	0	48	-1.0	-52.21	370.30	6.14	-46.07
COC1=CC=C(C=CC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1OC	REAL300020214376	1	48	-1.0	-52.18	370.35	6.14	-46.04
O=C(C=CC1=CC=C(SC(F)F)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214377	0	44	-1.0	-49.84	361.52	8.16	-41.68
O=C(C=CC1=CC=C(SC(F)F)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214377	1	44	-1.0	-49.84	361.58	8.18	-41.66
COC(=O)[C@@H]1CC[C@@H]1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214378	0	42	-1.0	-57.24	316.10	5.85	-51.39
COC(=O)[C@@H]1CC[C@@H]1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214378	1	42	-1.0	-57.20	316.16	5.85	-51.35
COC(=O)CC[C@@H]1CC[C@H](C(=O)N2CCCCC2CC2=N[N-]N=N2)O1	REAL300020214379	0	49	-1.0	-55.77	372.90	5.90	-49.87
COC(=O)CC[C@@H]1CC[C@H](C(=O)N2CCCCC2CC2=NN=N[N-]2)O1	REAL300020214379	1	49	-1.0	-55.83	372.95	5.90	-49.93
COC(=O)[C@@H]1CO[C@H](CCC(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020214380	0	49	-1.0	-51.80	375.42	5.21	-46.59
COC(=O)[C@@H]1CO[C@H](CCC(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020214380	1	49	-1.0	-51.80	375.47	5.21	-46.59
CC(C)(C)OC(=O)C=CC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CO1	REAL300020214381	0	52	-1.0	-50.41	401.83	7.61	-42.80
CC(C)(C)OC(=O)C=CC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CO1	REAL300020214381	1	52	-1.0	-50.42	401.85	7.59	-42.83
COC1=CC=C(OC)C(C=CC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020214382	0	48	-1.0	-54.42	369.49	5.57	-48.85
COC1=CC=C(OC)C(C=CC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020214382	1	48	-1.0	-54.44	369.55	5.59	-48.85
O=C(C=CC1=CSC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214383	0	37	-1.0	-49.28	302.02	5.86	-43.42
O=C(C=CC1=CSC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214383	1	37	-1.0	-49.28	302.07	5.88	-43.40
CC(C)(C)OC(=O)C1=CC=C(C=CC(=O)N2CCCCC2CC2=N[N-]N=N2)O1	REAL300020214384	0	52	-1.0	-47.58	407.47	8.00	-39.58
CC(C)(C)OC(=O)C1=CC=C(C=CC(=O)N2CCCCC2CC2=NN=N[N-]2)O1	REAL300020214384	1	52	-1.0	-47.60	407.53	8.00	-39.60
CC(C)(C)OC(=O)[C@@H]1CC[C@H]1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214385	0	51	-1.0	-50.00	378.77	7.40	-42.60
CC(C)(C)OC(=O)[C@@H]1CC[C@H]1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214385	1	51	-1.0	-50.04	378.82	7.41	-42.63
O=C(CC1=CC=C(Cl)C=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214386	0	38	-1.0	-52.46	317.12	5.04	-47.42
O=C(CC1=CC=C(Cl)C=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214386	1	38	-1.0	-52.41	317.18	5.06	-47.35
O=C(CC1=CC=CC2=NC=CC=C12)N1CCCCC1CC1=N[N-]N=N1	REAL300020214387	0	44	-1.0	-49.73	340.88	6.69	-43.04
O=C(CC1=CC=CC2=NC=CC=C12)N1CCCCC1CC1=NN=N[N-]1	REAL300020214387	1	44	-1.0	-49.76	340.93	6.70	-43.06
O=C(CC1=CC2=NC=CC=C2C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214388	0	44	-1.0	-58.17	344.38	6.86	-51.31
O=C(CC1=CC2=NC=CC=C2C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214388	1	44	-1.0	-58.12	344.44	6.87	-51.25
O=C(CC1=CSC(C2CCCC2)=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214389	0	48	-1.0	-50.04	378.40	6.31	-43.73
O=C(CC1=CSC(C2CCCC2)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214389	1	48	-1.0	-50.09	378.46	6.34	-43.75
CC1(C)CCC2=C(C1)C(C(=O)N1CCCCC1CC1=N[N-]N=N1)=NO2	REAL300020214390	0	48	-1.0	-50.51	351.91	6.98	-43.53
CC1(C)CCC2=C(C1)C(C(=O)N1CCCCC1CC1=NN=N[N-]1)=NO2	REAL300020214390	1	48	-1.0	-50.55	351.97	6.98	-43.57
CCC1=NN(C)C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020214391	0	42	-1.0	-47.72	322.17	4.41	-43.31
CCC1=NN(C)C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020214391	1	42	-1.0	-47.67	322.30	4.41	-43.26
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)SC(C2=CC=C(C)C=C2)=N1	REAL300020214392	0	48	-1.0	-51.04	384.08	7.70	-43.34
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)SC(C2=CC=C(C)C=C2)=N1	REAL300020214392	1	48	-1.0	-51.03	384.02	7.69	-43.34
O=C(C(O)C1=CC=C(C(F)(F)F)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214393	0	43	-1.0	-47.31	343.60	4.87	-42.44
O=C(C(O)C1=CC=C(C(F)(F)F)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214393	1	43	-1.0	-47.34	343.65	4.89	-42.45
O=C(C1CC(=O)N(OCC2=CC=CC=C2)C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214394	0	51	-1.0	-50.77	402.05	6.93	-43.84
O=C(C1CC(=O)N(OCC2=CC=CC=C2)C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214394	1	51	-1.0	-50.76	402.11	6.94	-43.82
CCN1N=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1Br	REAL300020214395	0	39	-1.0	-48.03	326.75	4.63	-43.40
CCN1N=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1Br	REAL300020214395	1	39	-1.0	-48.02	326.65	4.63	-43.39
O=C(CC1=CSC(C2CC2)=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214396	0	42	-1.0	-50.50	344.42	5.26	-45.24
O=C(CC1=CSC(C2CC2)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214396	1	42	-1.0	-50.48	344.48	5.28	-45.20
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=CN1CC1=CC=CC=C1	REAL300020214397	0	50	-1.0	-53.14	380.58	9.27	-43.87
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=CN1CC1=CC=CC=C1	REAL300020214397	1	50	-1.0	-53.17	380.62	9.27	-43.90
CC(C)(C)C1=NC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CO1	REAL300020214398	0	44	-1.0	-48.04	338.51	3.88	-44.16
CC(C)(C)C1=NC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CO1	REAL300020214398	1	44	-1.0	-48.08	338.46	3.87	-44.21
O=C(CCC1CCC2=CC=CC=C21)N1CCCCC1CC1=N[N-]N=N1	REAL300020214399	0	49	-1.0	-48.20	369.74	8.53	-39.67
O=C(CCC1CCC2=CC=CC=C21)N1CCCCC1CC1=NN=N[N-]1	REAL300020214399	1	49	-1.0	-48.16	369.80	8.53	-39.63
O=C(C1=CC(C(F)(F)F)=CC=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214400	0	38	-1.0	-49.58	312.41	5.46	-44.12
O=C(C1=CC(C(F)(F)F)=CC=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214400	1	38	-1.0	-49.57	312.36	5.45	-44.12
CC1(C)COC(CCC(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020214401	0	49	-1.0	-46.81	366.32	5.31	-41.50
CC1(C)COC(CCC(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020214401	1	49	-1.0	-46.84	366.39	5.32	-41.52
CC1=NN(C2CCOCC2)C=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214402	0	50	-1.0	-49.66	373.60	4.54	-45.12
CC1=NN(C2CCOCC2)C=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214402	1	50	-1.0	-49.65	373.63	4.55	-45.10
CC(C)(CC(=O)N1CCCCC1CC1=N[N-]N=N1)CC(F)(F)F	REAL300020214403	0	44	-1.0	-46.86	321.17	6.23	-40.63
CC(C)(CC(=O)N1CCCCC1CC1=NN=N[N-]1)CC(F)(F)F	REAL300020214403	1	44	-1.0	-46.87	321.22	6.25	-40.62
COC1=CC=C(CCCCC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1OC	REAL300020214404	0	56	-1.0	-50.94	431.11	7.66	-43.28
COC1=CC=C(CCCCC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1OC	REAL300020214404	1	56	-1.0	-50.93	431.17	7.68	-43.25
COC1=CC=C2CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)CCC2=C1	REAL300020214405	0	50	-1.0	-49.56	369.33	7.16	-42.40
COC1=CC=C2CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)CCC2=C1	REAL300020214405	1	50	-1.0	-49.55	369.38	7.18	-42.37
CC(C)(C)C12CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)(C1)C2	REAL300020214406	0	49	-1.0	-50.52	358.97	7.61	-42.91
CC(C)(C)C12CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)(C1)C2	REAL300020214406	1	49	-1.0	-50.56	359.01	7.61	-42.95
CN1N=C(C(F)(F)F)C2=C1SC(C(=O)N1CCCCC1CC1=NN=N[N-]1)=C2	REAL300020214407	0	42	-1.0	-53.21	359.84	5.64	-47.57
CN1N=C(C(F)(F)F)C2=C1SC(C(=O)N1CCCCC1CC1=N[N-]N=N1)=C2	REAL300020214407	1	42	-1.0	-53.20	359.79	5.61	-47.59
CC1=CC(C)=NC(N2CCC(C(=O)N3CCCCC3CC3=N[N-]N=N3)CC2)=N1	REAL300020214408	0	55	-1.0	-55.65	407.20	7.52	-48.13
CC1=CC(C)=NC(N2CCC(C(=O)N3CCCCC3CC3=NN=N[N-]3)CC2)=N1	REAL300020214408	1	55	-1.0	-55.63	407.26	7.54	-48.09
O=C(C1=NC=C2C=CSC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214409	0	38	-1.0	-52.15	310.15	5.82	-46.33
O=C(C1=NC=C2C=CSC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214409	1	38	-1.0	-52.18	310.10	5.81	-46.37
O=C(CCN1CC2=CC=CC=C2C1=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214410	0	47	-1.0	-55.00	372.80	6.28	-48.72
O=C(CCN1CC2=CC=CC=C2C1=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214410	1	47	-1.0	-54.97	372.86	6.29	-48.68
CC(C(=O)N1CCCCC1CC1=N[N-]N=N1)N1C=CC(C2CC2)=N1	REAL300020214411	0	46	-1.0	-48.90	351.39	6.14	-42.76
CC(C(=O)N1CCCCC1CC1=NN=N[N-]1)N1C=CC(C2CC2)=N1	REAL300020214411	1	46	-1.0	-48.89	351.44	6.15	-42.74
CC1=NN2C=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)N=C2S1	REAL300020214412	0	38	-1.0	-53.95	313.59	4.96	-48.99
CC1=NN2C=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)N=C2S1	REAL300020214412	1	38	-1.0	-53.95	313.62	4.96	-48.99
CC(C)C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C(=O)N1	REAL300020214413	0	45	-1.0	-52.78	338.60	3.93	-48.85
CC(C)C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C(=O)N1	REAL300020214413	1	45	-1.0	-52.78	338.65	3.95	-48.83
O=C(C1=C(C(F)F)N2N=CC=C2N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214414	0	41	-1.0	-43.99	332.50	5.59	-38.40
O=C(C1=C(C(F)F)N2N=CC=C2N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214414	1	41	-1.0	-44.03	332.56	5.58	-38.45
O=C(C1=CN2CCCCC2=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214415	0	43	-1.0	-53.39	323.02	6.40	-46.99
O=C(C1=CN2CCCCC2=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214415	1	43	-1.0	-53.36	323.07	6.42	-46.94
CN1N=CC2=CC(CC(=O)N3CCCCC3CC3=NN=N[N-]3)=CC=C21	REAL300020214416	0	45	-1.0	-52.40	357.35	6.09	-46.31
CN1N=CC2=CC(CC(=O)N3CCCCC3CC3=N[N-]N=N3)=CC=C21	REAL300020214416	1	45	-1.0	-52.40	357.28	6.06	-46.34
COC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C2=CN=CC=C12	REAL300020214417	0	45	-1.0	-51.80	346.70	5.28	-46.52
COC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C2=CN=CC=C12	REAL300020214417	1	45	-1.0	-51.82	346.63	5.25	-46.57
O=C(COC1=CC=CC=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214418	0	39	-1.0	-53.36	309.29	3.53	-49.83
O=C(COC1=CC=CC=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214418	1	39	-1.0	-53.35	309.24	3.52	-49.83
COC1=CC=C(Cl)C=C1C(F)(F)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214419	0	43	-1.0	-48.25	353.89	6.36	-41.89
COC1=CC=C(Cl)C=C1C(F)(F)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214419	1	43	-1.0	-48.22	353.94	6.37	-41.85
O=C([C@H]1CC[C@H](OC(F)F)CC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214420	0	46	-1.0	-48.96	343.08	4.99	-43.97
O=C([C@H]1CC[C@H](OC(F)F)CC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214420	1	46	-1.0	-48.99	343.14	5.02	-43.97
O=C(C1=CC=CC2=C1OCC2)N1CCCCC1CC1=N[N-]N=N1	REAL300020214421	0	41	-1.0	-55.10	313.74	5.21	-49.89
O=C(C1=CC=CC2=C1OCC2)N1CCCCC1CC1=NN=N[N-]1	REAL300020214421	1	41	-1.0	-55.11	313.74	5.21	-49.90
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C(C(C)(C)C)O1	REAL300020214422	0	48	-1.0	-50.16	361.72	6.84	-43.32
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C(C(C)(C)C)O1	REAL300020214422	1	48	-1.0	-48.49	360.54	7.08	-41.41
O=C(C1=CN=C(F)C(Cl)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214423	0	35	-1.0	-42.77	298.01	4.01	-38.76
O=C(C1=CN=C(F)C(Cl)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214423	1	35	-1.0	-42.82	297.98	4.00	-38.82
CN1N=C(C2CC2)C=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214424	0	43	-1.0	-47.31	331.49	5.14	-42.17
CN1N=C(C2CC2)C=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214424	1	43	-1.0	-47.31	331.54	5.15	-42.16
CCC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC(Cl)=N1	REAL300020214425	0	41	-1.0	-45.83	331.40	5.41	-40.42
CCC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC(Cl)=N1	REAL300020214425	1	41	-1.0	-45.83	331.44	5.43	-40.40
COC1=NC=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020214426	0	38	-1.0	-48.09	300.43	1.39	-46.70
COC1=NC=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020214426	1	38	-1.0	-48.10	300.38	1.37	-46.73
CCC1=C(C)C=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C(=O)N1	REAL300020214427	0	45	-1.0	-54.19	337.56	3.76	-50.43
CCC1=C(C)C=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C(=O)N1	REAL300020214427	1	45	-1.0	-54.21	337.61	3.77	-50.44
COC1=CC=CN2N=CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=C12	REAL300020214428	0	43	-1.0	-56.65	330.57	5.36	-51.29
COC1=CC=CN2N=CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=C12	REAL300020214428	1	43	-1.0	-56.60	330.44	5.34	-51.26
O=C(C1=CN(C2CCC2)N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214429	0	43	-1.0	-48.95	325.45	5.10	-43.85
O=C(C1=CN(C2CCC2)N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214429	1	43	-1.0	-48.95	325.44	5.10	-43.85
CC1=CN2N=NC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=C2C(=O)N1	REAL300020214430	0	41	-1.0	-61.22	323.53	2.93	-58.29
CC1=CN2N=NC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=C2C(=O)N1	REAL300020214430	1	41	-1.0	-61.25	323.58	2.94	-58.31
O=C(C1=CC=NN1C1CCC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214431	0	43	-1.0	-48.06	327.40	5.26	-42.80
O=C(C1=CC=NN1C1CCC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214431	1	43	-1.0	-48.10	327.35	5.26	-42.84
O=C(C1=CC(C(F)F)=NC=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214432	0	37	-1.0	-48.41	301.38	5.14	-43.27
O=C(C1=CC(C(F)F)=NC=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214432	1	37	-1.0	-48.39	301.44	5.16	-43.23
O=C(C1=C(C2CC2)OC(C2CC2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214433	0	47	-1.0	-50.19	363.29	8.03	-42.16
O=C(C1=C(C2CC2)OC(C2CC2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214433	1	47	-1.0	-50.19	363.33	8.04	-42.15
O=C(C1=CC(S(=O)(=O)F)=CN1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214434	0	37	-1.0	-58.29	312.50	0.84	-57.45
O=C(C1=CC(S(=O)(=O)F)=CN1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214434	1	37	-1.0	-58.34	312.57	0.85	-57.49
CCOC(=O)N(C)CCCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214435	0	49	-1.0	-59.46	377.72	5.50	-53.96
CCOC(=O)N(C)CCCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214435	1	49	-1.0	-59.44	377.77	5.50	-53.94
O=C(CC1CCC2(CCC2)CO1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214436	0	50	-1.0	-49.54	367.81	6.61	-42.93
O=C(CC1CCC2(CCC2)CO1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214436	1	50	-1.0	-49.54	367.87	6.61	-42.93
O=C(CC1CCC2(CCOCC2)CO1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214437	0	54	-1.0	-50.77	380.46	5.54	-45.23
O=C(CC1CCC2(CCOCC2)CO1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214437	1	54	-1.0	-50.80	380.51	5.55	-45.25
O=C(C1CC2CCC(C1)S2)N1CCCCC1CC1=N[N-]N=N1	REAL300020214438	0	44	-1.0	-52.94	315.82	6.26	-46.68
O=C(C1CC2CCC(C1)S2)N1CCCCC1CC1=NN=N[N-]1	REAL300020214438	1	44	-1.0	-52.98	315.84	6.27	-46.71
O=C([C@@H]1CCO[C@H]1C1CC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214439	0	44	-1.0	-49.47	324.67	5.09	-44.38
O=C([C@@H]1CCO[C@H]1C1CC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214439	1	44	-1.0	-49.50	324.73	5.10	-44.40
O=C(C1=CSC=C1C(F)F)N1CCCCC1CC1=N[N-]N=N1	REAL300020214440	0	36	-1.0	-54.57	300.10	5.21	-49.36
O=C(C1=CSC=C1C(F)F)N1CCCCC1CC1=NN=N[N-]1	REAL300020214440	1	36	-1.0	-54.60	300.13	5.24	-49.36
COC1=CC=C(CCCC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1OC	REAL300020214441	0	53	-1.0	-54.46	404.92	7.28	-47.18
COC1=CC=C(CCCC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1OC	REAL300020214441	1	53	-1.0	-54.44	404.97	7.30	-47.14
O=C([C@@H]1[C@@H](C2=CC=CC=C2)C1(F)F)N1CCCCC1CC1=N[N-]N=N1	REAL300020214442	0	43	-1.0	-47.46	342.25	7.96	-39.50
O=C([C@@H]1[C@@H](C2=CC=CC=C2)C1(F)F)N1CCCCC1CC1=NN=N[N-]1	REAL300020214442	1	43	-1.0	-47.43	342.30	7.96	-39.47
O=C(CCC1=CC=CC(O)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214443	0	43	-1.0	-47.97	335.52	4.40	-43.57
O=C(CCC1=CC=CC(O)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214443	1	43	-1.0	-47.95	335.57	4.40	-43.55
O=C(C1=CC=CC(O)=C1F)N1CCCCC1CC1=N[N-]N=N1	REAL300020214444	0	37	-1.0	-53.78	294.43	2.52	-51.26
O=C(C1=CC=CC(O)=C1F)N1CCCCC1CC1=NN=N[N-]1	REAL300020214444	1	37	-1.0	-53.77	294.39	2.53	-51.24
O=C(C1=CC=CC2=C1C(=O)N=CN2)N1CCCCC1CC1=N[N-]N=N1	REAL300020214445	0	41	-1.0	-63.10	321.28	5.01	-58.09
O=C(C1=CC=CC2=C1C(=O)N=CN2)N1CCCCC1CC1=NN=N[N-]1	REAL300020214445	1	41	-1.0	-63.07	321.33	5.02	-58.05
CC1=CC(O)=CC=C1CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214446	0	43	-1.0	-48.77	335.50	3.68	-45.09
CC1=CC(O)=CC=C1CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214446	1	43	-1.0	-48.70	335.56	3.68	-45.02
C[NH+](C)CCC1=CC=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020214447	0	51	0.0	-73.68	383.10	8.28	-65.40
C[NH+](C)CCC1=CC=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020214447	1	51	0.0	-73.67	383.14	8.31	-65.36
O=C(C1=CNC2=CC(=O)C=CC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214448	0	42	-1.0	-56.95	333.54	5.38	-51.57
O=C(C1=CNC2=CC(=O)C=CC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214448	1	42	-1.0	-56.91	333.59	5.38	-51.53
O=C(C1CCC(Cl)CC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214449	0	42	-1.0	-53.95	315.18	6.24	-47.71
O=C(C1CCC(Cl)CC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214449	1	42	-1.0	-53.93	315.23	6.25	-47.68
CC1(C)OC[C@H](C=CC(=O)N2CCCCC2CC2=N[N-]N=N2)O1	REAL300020214450	0	45	-1.0	-48.92	345.67	4.38	-44.54
CC1(C)OC[C@H](C=CC(=O)N2CCCCC2CC2=NN=N[N-]2)O1	REAL300020214450	1	45	-1.0	-48.96	345.73	4.40	-44.56
O=C(C1=CS(=O)CCC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214451	0	39	-1.0	-64.98	297.98	2.49	-62.49
O=C(C1=CS(=O)CCC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214451	1	39	-1.0	-64.99	298.02	2.48	-62.51
CN1C(=O)CCCC1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214452	0	43	-1.0	-55.52	314.79	4.05	-51.47
CN1C(=O)CCCC1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214452	1	43	-1.0	-55.57	314.84	4.05	-51.52
O=C([C@@H]1CC[C@H](CN2C=CN=C2)O1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214453	0	47	-1.0	-62.64	358.77	6.86	-55.78
O=C([C@@H]1CC[C@H](CN2C=CN=C2)O1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214453	1	47	-1.0	-62.66	358.82	6.87	-55.79
O=C(COC1=NSC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214454	0	36	-1.0	-51.10	299.07	2.55	-48.55
O=C(COC1=NSC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214454	1	36	-1.0	-51.03	299.01	2.55	-48.48
O=CC1=CC=C(C2=CC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2)C=C1	REAL300020214455	0	48	-1.0	-53.31	375.42	8.46	-44.85
O=CC1=CC=C(C2=CC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2)C=C1	REAL300020214455	1	48	-1.0	-53.33	375.42	8.46	-44.87
CC(C)CN1C=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020214456	0	45	-1.0	-52.99	344.11	6.17	-46.82
CC(C)CN1C=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020214456	1	45	-1.0	-52.96	344.05	6.15	-46.81
O=C(CCCC1=CC=C(Br)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214457	0	45	-1.0	-49.33	372.16	8.31	-41.02
O=C(CCCC1=CC=C(Br)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214457	1	45	-1.0	-49.30	372.22	8.32	-40.98
O=C(C1=NN(C2=CC(F)=CC(F)=C2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214458	0	43	-1.0	-50.25	349.69	7.32	-42.93
O=C(C1=NN(C2=CC(F)=CC(F)=C2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214458	1	43	-1.0	-50.21	349.64	7.32	-42.89
O=C(CCCCC1=CC=CC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214459	0	48	-1.0	-48.42	367.48	8.81	-39.61
O=C(CCCCC1=CC=CC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214459	1	48	-1.0	-48.45	367.53	8.82	-39.63
CC1(C)COC(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020214460	0	46	-1.0	-51.94	340.03	5.43	-46.51
CC1(C)COC(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020214460	1	46	-1.0	-51.99	340.08	5.44	-46.55
O=C(C1=NN2CCCC2=C1Br)N1CCCCC1CC1=N[N-]N=N1	REAL300020214461	0	40	-1.0	-54.71	324.49	5.22	-49.49
O=C(C1=NN2CCCC2=C1Br)N1CCCCC1CC1=NN=N[N-]1	REAL300020214461	1	40	-1.0	-54.68	324.55	5.23	-49.45
O=C(CC[N@H+]1CCC(F)C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214462	0	45	0.0	-73.30	336.71	5.75	-67.55
O=C(CC[N@@H+]1CCC(F)C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214462	1	45	0.0	-56.41	332.83	5.98	-50.43
O=C(CC[N@H+]1CCC(F)C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214462	1	45	0.0	-73.34	336.77	5.76	-67.58
O=C(CC[N@@H+]1CCC(F)C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214462	1	45	0.0	-56.41	332.88	5.98	-50.43
O=C(CCN1CCC(F)C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214462	1	44	-1.0	-48.72	335.00	3.20	-45.52
O=C(CCN1CCC(F)C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214462	1	44	-1.0	-48.71	335.06	3.22	-45.49
O=C(CC1=CN=C2NC=CC(Cl)=C12)N1CCCCC1CC1=N[N-]N=N1	REAL300020214463	0	42	-1.0	-58.26	342.31	6.19	-52.07
O=C(CC1=CN=C2NC=CC(Cl)=C12)N1CCCCC1CC1=NN=N[N-]1	REAL300020214463	1	42	-1.0	-58.26	342.36	6.20	-52.06
O=C(C1=CC=NC(CO)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214464	0	39	-1.0	-50.62	305.63	1.06	-49.56
O=C(C1=CC=NC(CO)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214464	1	39	-1.0	-50.65	305.67	1.07	-49.58
COC(=O)C1=NC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CS1	REAL300020214465	0	38	-1.0	-49.58	320.33	3.98	-45.60
COC(=O)C1=NC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CS1	REAL300020214465	1	38	-1.0	-49.56	320.27	3.98	-45.58
CC1=CC=NC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1O	REAL300020214466	0	39	-1.0	-49.49	302.14	3.34	-46.15
CC1=CC=NC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1O	REAL300020214466	1	39	-1.0	-49.48	302.20	3.34	-46.14
CC1=C2OC=C(CC(=O)N3CCCCC3CC3=N[N-]N=N3)C2=CC=C1Cl	REAL300020214467	0	45	-1.0	-50.42	366.52	7.95	-42.47
CC1=C2OC=C(CC(=O)N3CCCCC3CC3=NN=N[N-]3)C2=CC=C1Cl	REAL300020214467	1	45	-1.0	-50.43	366.57	7.96	-42.47
NC1=C([N+](=O)[O-])C2=CC=CC=C2C=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214468	0	46	-1.0	-48.83	365.36	6.71	-42.12
NC1=C([N+](=O)[O-])C2=CC=CC=C2C=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214468	1	46	-1.0	-48.86	365.41	6.73	-42.13
CN(C)CC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)O1	REAL300020214469	0	44	-1.0	-48.53	338.14	3.47	-45.06
CN(C)CC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)O1	REAL300020214469	1	44	-1.0	-48.53	338.19	3.48	-45.05
C[NH+](C)CC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)O1	REAL300020214469	1	45	0.0	-73.62	339.55	5.85	-67.77
CC(C)[N@@H+]1CCCC(C(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020214470	0	51	0.0	-46.11	346.65	7.07	-39.04
CC(C)[N@H+]1CCCC(C(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020214470	1	51	0.0	-52.82	354.62	6.72	-46.10
CC(C)[N@@H+]1CCCC(C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020214470	1	51	0.0	-46.15	346.67	7.09	-39.06
CC(C)[N@H+]1CCCC(C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020214470	1	51	0.0	-52.85	354.68	6.73	-46.12
O=C(C1=CC=C(CN2CCCC2)O1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214471	0	48	-1.0	-48.26	362.34	4.48	-43.78
O=C(C1=CC=C(C[NH+]2CCCC2)O1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214471	1	49	0.0	-71.68	365.99	7.06	-64.62
O=C(C1=CC=C(CN2CCCC2)O1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214471	1	48	-1.0	-48.25	362.39	4.49	-43.76
CCC[N@@H+]1CCCC(C(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020214472	0	51	0.0	-57.38	358.35	6.84	-50.54
CCC[N@H+]1CCCC(C(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020214472	1	51	0.0	-53.40	359.40	6.92	-46.48
CCC[N@@H+]1CCCC(C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020214472	1	51	0.0	-57.40	358.39	6.84	-50.56
CCC[N@H+]1CCCC(C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020214472	1	51	0.0	-53.41	359.46	6.95	-46.46
C[N@@H+]1CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)C(C(F)(F)F)C1	REAL300020214473	0	45	0.0	-78.36	343.58	5.33	-73.03
C[N@H+]1CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)C(C(F)(F)F)C1	REAL300020214473	1	45	0.0	-72.90	324.94	6.27	-66.63
C[N@@H+]1CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)C(C(F)(F)F)C1	REAL300020214473	1	45	0.0	-78.38	343.65	5.34	-73.04
C[N@H+]1CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)C(C(F)(F)F)C1	REAL300020214473	1	45	0.0	-72.92	324.97	6.27	-66.65
O=C(C1=NC=C(Br)C=C1[O-])N1CCCCC1CC1=N[N-]N=N1	REAL300020214474	0	35	-2.0	-114.00	299.62	4.26	-109.74
O=C(C1=NC=C(Br)C=C1[O-])N1CCCCC1CC1=NN=N[N-]1	REAL300020214474	1	35	-2.0	-114.03	299.67	4.26	-109.77
O=C(C1=NC=C(Br)C=C1O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214474	1	36	-1.0	-48.75	303.17	3.24	-45.51
O=C(C1=NC=C(Br)C=C1O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214474	1	36	-1.0	-48.75	303.22	3.24	-45.51
CCCCC(O)CCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214475	0	48	-1.0	-46.27	360.15	4.10	-42.17
CCCCC(O)CCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214475	1	48	-1.0	-46.33	360.20	4.11	-42.22
O=C(CC1=NC(C2CCCC2)=CS1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214476	0	48	-1.0	-50.30	376.30	6.24	-44.06
O=C(CC1=NC(C2CCCC2)=CS1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214476	1	48	-1.0	-50.33	376.37	6.24	-44.09
CN1N=C(C2=CC=CN=C2)C=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214477	0	45	-1.0	-47.61	354.58	4.85	-42.76
CN1N=C(C2=CC=CN=C2)C=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214477	1	45	-1.0	-47.58	354.54	4.83	-42.75
CN1N=C(C2=CC=NC=C2)C=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214478	0	45	-1.0	-47.93	354.78	4.86	-43.07
CN1N=C(C2=CC=NC=C2)C=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214478	1	45	-1.0	-47.94	354.82	4.87	-43.07
CN1N=C2CCS(=O)(=O)CC2=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214479	0	46	-1.0	-45.59	357.73	2.04	-43.55
CN1N=C2CCS(=O)(=O)CC2=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214479	1	46	-1.0	-45.60	357.78	2.05	-43.55
CCN1N=C(C2CC2)C=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214480	0	46	-1.0	-43.23	357.27	6.26	-36.97
CCN1N=C(C2CC2)C=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214480	1	46	-1.0	-43.26	357.33	6.26	-37.00
CC1=CN2N=CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=C2N=C1	REAL300020214481	0	41	-1.0	-58.74	323.15	4.90	-53.84
CC1=CN2N=CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=C2N=C1	REAL300020214481	1	41	-1.0	-58.75	323.13	4.87	-53.88
O=C(CC1CCC2(CCC2)O1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214482	0	47	-1.0	-53.48	347.51	6.35	-47.13
O=C(CC1CCC2(CCC2)O1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214482	1	47	-1.0	-53.51	347.56	6.34	-47.17
O=C(C1CCOC2(CCC2)C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214483	0	47	-1.0	-51.27	338.50	5.30	-45.97
O=C(C1CCOC2(CCC2)C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214483	1	47	-1.0	-51.24	338.52	5.30	-45.94
O=C(C=CC1=CC(Br)=CC=C1F)N1CCCCC1CC1=N[N-]N=N1	REAL300020214484	0	40	-1.0	-50.49	338.50	7.58	-42.91
O=C(C=CC1=CC(Br)=CC=C1F)N1CCCCC1CC1=NN=N[N-]1	REAL300020214484	1	40	-1.0	-50.48	338.55	7.60	-42.88
COC1=CC2=CC=C(C=CC(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2C=C1	REAL300020214485	0	50	-1.0	-51.27	387.24	8.48	-42.79
COC1=CC2=CC=C(C=CC(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2C=C1	REAL300020214485	1	50	-1.0	-51.30	387.29	8.48	-42.82
O=C(CC1=NC(C2CCCCC2)=CS1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214486	0	51	-1.0	-50.46	395.35	6.90	-43.56
O=C(CC1=NC(C2CCCCC2)=CS1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214486	1	51	-1.0	-50.40	395.41	6.90	-43.50
O=C(CC1=NN=C(C2CCOCC2)N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214487	0	49	-1.0	-59.95	376.03	4.02	-55.93
O=C(CC1=NN=C(C2CCOCC2)N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214487	1	49	-1.0	-59.88	376.10	4.02	-55.86
O=C(C1CCC=CCCC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214488	0	46	-1.0	-47.62	319.79	6.58	-41.04
O=C(C1CCC=CCCC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214488	1	46	-1.0	-47.65	319.85	6.60	-41.05
CN1N=C2CCCC2=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214489	0	43	-1.0	-51.84	330.11	5.21	-46.63
CN1N=C2CCCC2=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214489	1	43	-1.0	-51.83	330.16	5.22	-46.61
O=C(C1=CC=NN1C1CC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214490	0	40	-1.0	-42.08	315.70	5.02	-37.06
O=C(C1=CC=NN1C1CC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214490	1	40	-1.0	-42.10	315.65	5.00	-37.10
CN1C=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C(Br)=N1	REAL300020214491	0	36	-1.0	-54.66	306.73	3.99	-50.67
CN1C=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C(Br)=N1	REAL300020214491	1	36	-1.0	-56.29	307.64	3.50	-52.79
CC1=CN=C(F)C=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214492	0	38	-1.0	-46.49	299.68	4.25	-42.24
CC1=CN=C(F)C=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214492	1	38	-1.0	-46.47	299.62	4.24	-42.23
O=C(C1CC2(C1)CC(F)(F)C2)N1CCCCC1CC1=N[N-]N=N1	REAL300020214493	0	43	-1.0	-49.21	331.45	6.73	-42.48
O=C(C1CC2(C1)CC(F)(F)C2)N1CCCCC1CC1=NN=N[N-]1	REAL300020214493	1	43	-1.0	-49.18	331.50	6.74	-42.44
C[C@H](C(=O)N1CCCCC1CC1=N[N-]N=N1)N1CC2=CC=CC=C2C1=O	REAL300020214494	0	47	-1.0	-68.75	356.46	7.35	-61.40
C[C@H](C(=O)N1CCCCC1CC1=NN=N[N-]1)N1CC2=CC=CC=C2C1=O	REAL300020214494	1	47	-1.0	-68.77	356.49	7.36	-61.41
O=C(C1=COC2=C1C(=O)NCCC2)N1CCCCC1CC1=N[N-]N=N1	REAL300020214495	0	44	-1.0	-59.84	337.67	2.80	-57.04
O=C(C1=COC2=C1C(=O)NCCC2)N1CCCCC1CC1=NN=N[N-]1	REAL300020214495	1	44	-1.0	-59.77	337.71	2.81	-56.96
CC1=NC(=O)C2=CC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2N1	REAL300020214496	0	44	-1.0	-58.46	349.70	3.80	-54.66
CC1=NC(=O)C2=CC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2N1	REAL300020214496	1	44	-1.0	-58.43	349.74	3.81	-54.62
CC1=C(CC(=O)N2CCCCC2CC2=N[N-]N=N2)SC(CC(F)(F)F)=N1	REAL300020214497	0	44	-1.0	-48.77	369.86	6.08	-42.69
CC1=C(CC(=O)N2CCCCC2CC2=NN=N[N-]2)SC(CC(F)(F)F)=N1	REAL300020214497	1	44	-1.0	-48.84	369.91	6.10	-42.74
C[C@H](NC(=O)CCC(=O)N1CCCCC1CC1=N[N-]N=N1)C1=CC=CC=C1	REAL300020214498	0	52	-1.0	-47.36	401.78	6.52	-40.84
C[C@H](NC(=O)CCC(=O)N1CCCCC1CC1=NN=N[N-]1)C1=CC=CC=C1	REAL300020214498	1	52	-1.0	-47.35	401.83	6.53	-40.82
O=C(C1=CC2=C(Cl)C=NC=C2S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214499	0	38	-1.0	-50.40	327.09	5.62	-44.78
O=C(C1=CC2=C(Cl)C=NC=C2S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214499	1	38	-1.0	-50.37	327.02	5.61	-44.76
N#CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)NC2=CC=CC=C21	REAL300020214500	0	41	-1.0	-63.12	336.82	5.38	-57.74
N#CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)NC2=CC=CC=C21	REAL300020214500	1	41	-1.0	-59.82	335.26	6.16	-53.66
NC1=C(Cl)C=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL300020214501	0	40	-1.0	-48.29	330.99	4.63	-43.66
NC1=C(Cl)C=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL300020214501	1	40	-1.0	-48.34	331.03	4.64	-43.70
CNC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C(Cl)=C1	REAL300020214502	0	41	-1.0	-50.94	326.72	4.59	-46.35
CNC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C(Cl)=C1	REAL300020214502	1	41	-1.0	-50.84	326.67	4.60	-46.24
O=C(CC1=COC2=C(F)C(F)=CC=C12)N1CCCCC1CC1=N[N-]N=N1	REAL300020214503	0	42	-1.0	-48.47	343.73	6.95	-41.52
O=C(CC1=COC2=C(F)C(F)=CC=C12)N1CCCCC1CC1=NN=N[N-]1	REAL300020214503	1	42	-1.0	-48.43	343.79	6.95	-41.48
CCSC1=CC=CC=C1CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214504	0	46	-1.0	-48.74	366.65	7.81	-40.93
CCSC1=CC=CC=C1CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214504	1	46	-1.0	-48.77	366.72	7.82	-40.95
C=CCOC1=CC=C(C=CC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1OC	REAL300020214505	0	52	-1.0	-52.11	405.06	7.64	-44.47
C=CCOC1=CC=C(C=CC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1OC	REAL300020214505	1	52	-1.0	-52.07	405.11	7.65	-44.42
CCCCC1=C(C=CC(=O)N2CCCCC2CC2=N[N-]N=N2)C2=CC=CC=C2O1	REAL300020214506	0	55	-1.0	-50.72	428.18	10.58	-40.14
CCCCC1=C(C=CC(=O)N2CCCCC2CC2=NN=N[N-]2)C2=CC=CC=C2O1	REAL300020214506	1	55	-1.0	-50.71	428.23	10.58	-40.13
CC1=CC(C=CC(=O)N2CCCCC2CC2=N[N-]N=N2)=C(C)N1C1CCCCC1	REAL300020214507	0	60	-1.0	-52.40	431.69	10.61	-41.79
CC1=CC(C=CC(=O)N2CCCCC2CC2=NN=N[N-]2)=C(C)N1C1CCCCC1	REAL300020214507	1	60	-1.0	-52.37	431.74	10.60	-41.77
O=C(C(O)C1=CC=CC(Br)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214508	0	40	-1.0	-46.38	326.20	4.48	-41.90
O=C(C(O)C1=CC=CC(Br)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214508	1	40	-1.0	-46.39	326.25	4.50	-41.89
CC1=NC(C)=C(CC(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020214509	0	41	-1.0	-50.82	328.75	4.96	-45.86
CC1=NC(C)=C(CC(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020214509	1	41	-1.0	-50.82	328.80	4.98	-45.84
O=C(COCC1=CC=CC=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214510	0	42	-1.0	-53.89	330.51	4.91	-48.98
O=C(COCC1=CC=CC=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214510	1	42	-1.0	-53.93	330.56	4.92	-49.01
CC1=CC=C(C=CC(=O)N2CCCCC2CC2=N[N-]N=N2)C(Br)=C1	REAL300020214511	0	43	-1.0	-52.30	351.36	8.09	-44.21
CC1=CC=C(C=CC(=O)N2CCCCC2CC2=NN=N[N-]2)C(Br)=C1	REAL300020214511	1	43	-1.0	-52.29	351.42	8.10	-44.19
CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214512	0	53	-1.0	-57.41	400.49	4.24	-53.17
CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214512	1	53	-1.0	-57.48	400.56	4.27	-53.21
COC1=CC=C(CCC(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020214513	0	45	-1.0	-48.33	351.59	3.95	-44.38
COC1=CC=C(CCC(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020214513	1	45	-1.0	-48.30	351.54	3.94	-44.36
CN1N=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1NC(=O)OC(C)(C)C	REAL300020214514	0	53	-1.0	-59.33	402.03	4.70	-54.63
CN1N=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1NC(=O)OC(C)(C)C	REAL300020214514	1	53	-1.0	-59.36	402.09	4.71	-54.65
CC(C)(C)OC(=O)NC(CC1CC1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214515	0	56	-1.0	-43.99	409.86	5.63	-38.36
CC(C)(C)OC(=O)NC(CC1CC1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214515	1	56	-1.0	-44.02	409.90	5.63	-38.39
O=C(CC1CCC2=C(C=CS2)C1=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214516	0	45	-1.0	-58.54	358.29	7.78	-50.76
O=C(CC1CCC2=C(C=CS2)C1=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214516	1	45	-1.0	-58.54	358.35	7.81	-50.73
CCN1C=C(Cl)C=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214517	0	40	-1.0	-40.25	327.81	6.43	-33.82
CCN1C=C(Cl)C=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214517	1	40	-1.0	-40.31	327.85	6.46	-33.85
CC(C)(C)OC(=O)N1CC[C@@H]2C(C(=O)N3CCCCC3CC3=N[N-]N=N3)[C@@H]2C1	REAL300020214518	0	57	-1.0	-46.57	421.95	6.97	-39.60
CC(C)(C)OC(=O)N1CC[C@@H]2C(C(=O)N3CCCCC3CC3=NN=N[N-]3)[C@@H]2C1	REAL300020214518	1	57	-1.0	-46.61	422.02	7.00	-39.61
CC(C)(C)OC(=O)NC1CC(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020214519	0	56	-1.0	-54.55	421.73	4.93	-49.62
CC(C)(C)OC(=O)NC1CC(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020214519	1	56	-1.0	-54.51	421.79	4.96	-49.55
CC1C2=CNN=C2CCC1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214520	0	46	-1.0	-51.52	336.75	4.75	-46.77
CC1C2=CNN=C2CCC1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214520	1	46	-1.0	-51.49	336.81	4.75	-46.74
CC(C)(C)OC(=O)NC1=NC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020214521	0	49	-1.0	-52.55	387.45	4.20	-48.35
CC(C)(C)OC(=O)NC1=NC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020214521	1	49	-1.0	-52.52	387.50	4.21	-48.31
CC(C)(C)OC(=O)NOCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214522	0	47	-1.0	-57.92	366.89	3.43	-54.49
CC(C)(C)OC(=O)NOCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214522	1	47	-1.0	-57.87	366.95	3.45	-54.42
CN(CCCCC(=O)N1CCCCC1CC1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL300020214523	0	58	-1.0	-55.18	432.50	7.38	-47.80
CN(CCCCC(=O)N1CCCCC1CC1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL300020214523	1	58	-1.0	-55.14	432.55	7.39	-47.75
CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214524	0	56	-1.0	-46.58	421.08	4.94	-41.64
CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214524	1	56	-1.0	-46.58	421.13	4.95	-41.63
CCOC(=O)[C@@H]1CC[C@@H]1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214525	0	45	-1.0	-56.68	345.21	6.83	-49.85
CCOC(=O)[C@@H]1CC[C@@H]1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214525	1	45	-1.0	-56.63	345.28	6.83	-49.80
COC1=CC=CC2=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=NN21	REAL300020214526	0	43	-1.0	-57.05	340.28	3.91	-53.14
COC1=CC=CC2=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=NN21	REAL300020214526	1	43	-1.0	-57.34	340.39	3.82	-53.52
COC(=O)C1=CC(C)=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)O1	REAL300020214527	0	42	-1.0	-45.51	334.48	5.27	-40.24
COC(=O)C1=CC(C)=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)O1	REAL300020214527	1	42	-1.0	-45.50	334.54	5.30	-40.20
CC1=CC=C(C2=NOC(C(=O)N3CCCCC3CC3=N[N-]N=N3)C2)C=C1	REAL300020214528	0	47	-1.0	-55.40	369.11	7.08	-48.32
CC1=CC=C(C2=NOC(C(=O)N3CCCCC3CC3=NN=N[N-]3)C2)C=C1	REAL300020214528	1	47	-1.0	-55.37	369.17	7.09	-48.28
C[NH+](C)CCOC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020216282	0	52	0.0	-74.55	386.29	6.99	-67.56
C[NH+](C)CCOC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020216282	1	52	0.0	-74.46	386.29	7.01	-67.45
CP(C)(=O)C1=CC=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020216283	0	45	-1.0	-57.67	360.04	4.94	-52.73
CP(C)(=O)C1=CC=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020216283	1	45	-1.0	-57.71	360.08	4.94	-52.77
COCC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)N1	REAL300020216284	0	41	-1.0	-50.09	318.01	3.32	-46.77
COCC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)N1	REAL300020216284	1	41	-1.0	-50.11	318.06	3.33	-46.78
CC(C)(C)C1CCC2=C(C=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C(=O)N2)C1	REAL300020216285	0	58	-1.0	-55.05	410.02	6.39	-48.66
CC(C)(C)C1CCC2=C(C=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C(=O)N2)C1	REAL300020216285	1	58	-1.0	-55.05	410.07	6.40	-48.65
O=C(C1=CC=CC(N=S2(=O)CCCC2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020216286	0	50	-1.0	-63.76	385.74	5.21	-58.55
O=C(C1=CC=CC(N=S2(=O)CCCC2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020216286	1	50	-1.0	-63.79	385.78	5.22	-58.57
CN1C=NC2=C1CCCC2C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020216287	0	46	-1.0	-53.68	337.65	7.45	-46.23
CN1C=NC2=C1CCCC2C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020216287	1	46	-1.0	-53.61	337.71	7.47	-46.14
CN=S(C)(=O)C1=CC=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020216288	0	46	-1.0	-58.43	368.15	2.79	-55.64
CN=S(C)(=O)C1=CC=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020216288	1	46	-1.0	-58.48	368.18	2.78	-55.70
CC(C)(C)OC(=O)NOCCCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020216289	0	53	-1.0	-57.71	404.47	4.63	-53.08
CC(C)(C)OC(=O)NOCCCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020216289	1	53	-1.0	-57.69	404.52	4.63	-53.06
O=C(C1=NOC(COC2=CC=CC=C2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020216290	0	46	-1.0	-48.51	366.41	6.69	-41.82
O=C(C1=NOC(COC2=CC=CC=C2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020216290	1	46	-1.0	-48.48	366.46	6.73	-41.75
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=NN1C(C)C(C)C	REAL300020216291	0	51	-1.0	-49.19	376.38	6.59	-42.60
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=NN1C(C)C(C)C	REAL300020216291	1	51	-1.0	-49.16	376.22	6.60	-42.56
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CC1=NN(C)C(CC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020216295	1	42	-1.0	-53.03	326.25	4.62	-48.41
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CC1(C)CC2(CC2C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020216308	1	46	-1.0	-46.81	343.72	6.84	-39.97
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CC1COC2=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=CC=C21	REAL300020216311	1	44	-1.0	-54.87	334.57	5.86	-49.01
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COC(=O)C1=CC=C2NN=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C2=C1	REAL300020216321	1	45	-1.0	-61.11	359.19	5.31	-55.80
COC(=O)CC(C(=O)N1CCCCC1CC1=NN=N[N-]1)[NH+]1CCCCC1	REAL300020216322	0	54	0.0	-39.60	377.81	6.93	-32.67
COC(=O)CC(C(=O)N1CCCCC1CC1=N[N-]N=N1)N1CCCCC1	REAL300020216322	1	53	-1.0	-40.56	374.97	5.36	-35.20
COC(=O)CC(C(=O)N1CCCCC1CC1=NN=N[N-]1)N1CCCCC1	REAL300020216322	1	53	-1.0	-40.58	375.02	5.38	-35.20
CCOC(=O)[C@H]1C[C@@](F)(C(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020216323	0	45	-1.0	-48.40	355.15	5.90	-42.50
CCOC(=O)[C@H]1C[C@@](F)(C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020216323	1	45	-1.0	-48.44	355.20	5.92	-42.52
CCOC(=O)[C@H]1C[C@](F)(C(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020216324	0	45	-1.0	-43.93	354.07	5.87	-38.06
CCOC(=O)[C@H]1C[C@](F)(C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020216324	1	45	-1.0	-43.93	354.13	5.89	-38.04
CC(C)(C)OC(=O)NCC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=NN1	REAL300020216325	0	53	-1.0	-51.47	407.06	2.76	-48.71
CC(C)(C)OC(=O)NCC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=NN1	REAL300020216325	1	53	-1.0	-51.47	407.12	2.77	-48.70
CC(C)(C)OC(=O)N1CCCCC1CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020216326	0	59	-1.0	-50.12	422.47	6.98	-43.14
CC(C)(C)OC(=O)N1CCCCC1CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020216326	1	59	-1.0	-50.13	422.52	6.99	-43.14
CC(C)(C)OC(=O)N1CC2(C)CC1(C(=O)N1CCCCC1CC1=N[N-]N=N1)C2	REAL300020216327	0	57	-1.0	-61.70	413.28	7.12	-54.58
CC(C)(C)OC(=O)N1CC2(C)CC1(C(=O)N1CCCCC1CC1=NN=N[N-]1)C2	REAL300020216327	1	57	-1.0	-61.78	413.33	7.15	-54.63
CC12CC(CC(=O)N3CCCCC3CC3=N[N-]N=N3)(C1)CO2	REAL300020216328	0	44	-1.0	-52.06	325.95	4.70	-47.36
CC12CC(CC(=O)N3CCCCC3CC3=NN=N[N-]3)(C1)CO2	REAL300020216328	1	44	-1.0	-52.07	326.01	4.70	-47.37
O=C(C1=CC=CC=C1)C1=CC=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020216329	0	48	-1.0	-54.41	377.09	8.64	-45.77
O=C(C1=CC=CC=C1)C1=CC=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020216329	1	48	-1.0	-54.47	377.12	8.65	-45.82
CC1CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)CCS1(=O)=O	REAL300020216330	0	45	-1.0	-57.61	334.97	2.33	-55.28
CC1CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)CCS1(=O)=O	REAL300020216330	1	45	-1.0	-57.56	335.02	2.35	-55.21
O=C([C@@H]1C[C@@H]2CCCCC[C@H]12)N1CCCCC1CC1=N[N-]N=N1	REAL300020216331	0	49	-1.0	-49.37	339.96	7.40	-41.97
O=C([C@@H]1C[C@@H]2CCCCC[C@H]12)N1CCCCC1CC1=NN=N[N-]1	REAL300020216331	1	49	-1.0	-49.39	340.00	7.42	-41.97
O=C([C@@H]1C[C@]12CCCC1=CC=CC=C12)N1CCCCC1CC1=N[N-]N=N1	REAL300020216332	0	50	-1.0	-46.82	370.36	8.89	-37.93
O=C([C@@H]1C[C@]12CCCC1=CC=CC=C12)N1CCCCC1CC1=NN=N[N-]1	REAL300020216332	1	50	-1.0	-46.75	370.41	8.89	-37.86
CC(C1CC1)N1CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)CC1=O	REAL300020216333	0	50	-1.0	-47.96	372.86	5.90	-42.06
CC(C1CC1)N1CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)CC1=O	REAL300020216333	1	50	-1.0	-47.98	372.93	5.92	-42.06
CCC1=CN2CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)CCC2=N1	REAL300020216334	0	49	-1.0	-48.42	363.06	7.11	-41.31
CCC1=CN2CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)CCC2=N1	REAL300020216334	1	49	-1.0	-48.39	363.12	7.14	-41.25
O=C(CCC12CCC(CC1)C2)N1CCCCC1CC1=N[N-]N=N1	REAL300020216335	0	49	-1.0	-46.41	356.50	7.40	-39.01
O=C(CCC12CCC(CC1)C2)N1CCCCC1CC1=NN=N[N-]1	REAL300020216335	1	49	-1.0	-46.38	356.56	7.42	-38.96
O=C(C1=CC=C(CC2=CC=CC=C2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020216336	0	49	-1.0	-50.69	382.52	9.84	-40.85
O=C(C1=CC=C(CC2=CC=CC=C2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020216336	1	49	-1.0	-50.68	382.56	9.86	-40.82
O=C(CC12CC(C1)C(=O)NC2)N1CCCCC1CC1=N[N-]N=N1	REAL300020216337	0	44	-1.0	-44.70	318.64	3.00	-41.70
O=C(CC12CC(C1)C(=O)NC2)N1CCCCC1CC1=NN=N[N-]1	REAL300020216337	1	44	-1.0	-44.65	318.63	3.01	-41.64
O=C(C1=CN=CC(N2C=CN=C2)=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020216338	0	41	-1.0	-48.07	326.06	6.07	-42.00
O=C(C1=CN=CC(N2C=CN=C2)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020216338	1	41	-1.0	-48.07	326.11	6.07	-42.00
CC1(C)CC2=CC=CC(CC(=O)N3CCCCC3CC3=N[N-]N=N3)=C2O1	REAL300020216339	0	50	-1.0	-51.66	384.99	7.26	-44.40
CC1(C)CC2=CC=CC(CC(=O)N3CCCCC3CC3=NN=N[N-]3)=C2O1	REAL300020216339	1	50	-1.0	-51.66	385.05	7.27	-44.39
O=C(CCCOC1=CC=CC([N+](=O)[O-])=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020216340	0	48	-1.0	-57.75	387.54	7.16	-50.59
O=C(CCCOC1=CC=CC([N+](=O)[O-])=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020216340	1	48	-1.0	-57.78	387.61	7.17	-50.61
CC1=NC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1C#N	REAL300020216341	0	39	-1.0	-45.16	315.55	4.43	-40.73
CC1=NC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1C#N	REAL300020216341	1	39	-1.0	-45.17	315.59	4.43	-40.74
CN1C=NC2=CC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2C1=O	REAL300020216342	0	44	-1.0	-58.26	346.46	6.08	-52.18
CN1C=NC2=CC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2C1=O	REAL300020216342	1	44	-1.0	-58.30	346.41	6.08	-52.22
CC(CNC(=O)OC(C)(C)C)C(F)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020216343	0	55	-1.0	-58.45	409.91	4.51	-53.94
CC(CNC(=O)OC(C)(C)C)C(F)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020216343	1	55	-1.0	-58.41	409.96	4.52	-53.89
CC(C)(C)OC(=O)N[C@@H](CF)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020216344	0	49	-1.0	-48.12	367.29	3.26	-44.86
CC(C)(C)OC(=O)N[C@@H](CF)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020216344	1	49	-1.0	-47.83	367.33	3.34	-44.49
O=C(C1=CC(Cl)=C(F)C(Cl)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020216345	0	36	-1.0	-42.55	318.85	6.44	-36.11
O=C(C1=CC(Cl)=C(F)C(Cl)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020216345	1	36	-1.0	-42.58	318.89	6.45	-36.13
C[C@@H]1C[C@H]1C(=O)NC1=CC=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020216346	0	50	-1.0	-63.01	388.21	6.51	-56.50
C[C@@H]1C[C@H]1C(=O)NC1=CC=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020216346	1	50	-1.0	-63.07	388.24	6.52	-56.55
O=C(C1=CN([C@@H]2COC[C@@H]2F)N=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020216347	0	43	-1.0	-48.67	335.51	2.70	-45.97
O=C(C1=CN([C@@H]2COC[C@@H]2F)N=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020216347	1	43	-1.0	-48.65	335.46	2.68	-45.97
CC1CCC(OCCCC(=O)N2CCCCC2CC2=N[N-]N=N2)CC1	REAL300020216348	0	55	-1.0	-51.86	400.77	7.67	-44.19
CC1CCC(OCCCC(=O)N2CCCCC2CC2=NN=N[N-]2)CC1	REAL300020216348	1	55	-1.0	-51.87	400.82	7.68	-44.19
CCC1(C)CCC(C(=O)N2CCCCC2CC2=N[N-]N=N2)O1	REAL300020216349	0	46	-1.0	-54.71	333.40	5.57	-49.14
CCC1(C)CCC(C(=O)N2CCCCC2CC2=NN=N[N-]2)O1	REAL300020216349	1	46	-1.0	-54.71	333.45	5.58	-49.13
C[C@@H]1C[C@H]1C(=O)NC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020216350	0	50	-1.0	-53.00	385.57	6.52	-46.48
C[C@@H]1C[C@H]1C(=O)NC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020216350	1	50	-1.0	-52.97	385.61	6.52	-46.45
O=C(CC1CC2=CC=CC=C2NC1=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020216351	0	47	-1.0	-59.72	351.02	6.72	-53.00
O=C(CC1CC2=CC=CC=C2NC1=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020216351	1	47	-1.0	-59.71	351.08	6.73	-52.98
CC1(C)C(=O)NC2CCC(C(=O)N3CCCCC3CC3=N[N-]N=N3)CC21	REAL300020216352	0	53	-1.0	-52.46	366.75	3.97	-48.49
CC1(C)C(=O)NC2CCC(C(=O)N3CCCCC3CC3=NN=N[N-]3)CC21	REAL300020216352	1	53	-1.0	-52.52	366.78	3.97	-48.55
COC1(C2=CC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=N2)CCOCC1	REAL300020216353	0	53	-1.0	-47.78	394.56	4.01	-43.77
COC1(C2=CC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=N2)CCOCC1	REAL300020216353	1	53	-1.0	-47.79	394.52	4.00	-43.79
O=C(C1=CC=C2SN=CC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020216354	0	38	-1.0	-46.27	311.89	5.57	-40.70
O=C(C1=CC=C2SN=CC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020216354	1	38	-1.0	-46.30	311.86	5.57	-40.73
CN(CC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1)C1=CC=CC=C1	REAL300020216355	0	54	-1.0	-52.33	406.05	9.47	-42.86
CN(CC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1)C1=CC=CC=C1	REAL300020216355	1	54	-1.0	-52.39	406.04	9.47	-42.92
CN1C=NC2=CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=CC=C2C1=O	REAL300020216356	0	44	-1.0	-55.16	346.75	6.07	-49.09
CN1C=NC2=CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=CC=C2C1=O	REAL300020216356	1	44	-1.0	-55.15	346.72	6.06	-49.09
O=C(C1CC2(CCC2)CO1)N1CCCCC1CC1=N[N-]N=N1	REAL300020216357	0	44	-1.0	-50.72	328.15	5.12	-45.60
O=C(C1CC2(CCC2)CO1)N1CCCCC1CC1=NN=N[N-]1	REAL300020216357	1	44	-1.0	-50.71	328.21	5.13	-45.58
CC1=NC2=CC(C(F)(F)F)=NN2C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020216358	0	44	-1.0	-51.01	360.92	6.35	-44.66
CC1=NC2=CC(C(F)(F)F)=NN2C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020216358	1	44	-1.0	-51.00	360.97	6.37	-44.63
COC1=CC([C@@H]2C[C@H]2C(=O)N2CCCCC2CC2=N[N-]N=N2)=C(OC)C=C1C	REAL300020216359	0	54	-1.0	-51.41	412.80	6.74	-44.67
COC1=CC([C@@H]2C[C@H]2C(=O)N2CCCCC2CC2=NN=N[N-]2)=C(OC)C=C1C	REAL300020216359	1	54	-1.0	-51.39	412.87	6.75	-44.64
O=C(CC1CCCCC1(F)F)N1CCCCC1CC1=N[N-]N=N1	REAL300020216360	0	45	-1.0	-47.43	330.44	6.44	-40.99
O=C(CC1CCCCC1(F)F)N1CCCCC1CC1=NN=N[N-]1	REAL300020216360	1	45	-1.0	-47.38	330.49	6.45	-40.93
CC(C)(C)OC(=O)N[C@@H]1[C@H](C(=O)N2CCCCC2CC2=N[N-]N=N2)C1(C)C	REAL300020216361	0	56	-1.0	-46.65	414.35	5.31	-41.34
CC(C)(C)OC(=O)N[C@@H]1[C@H](C(=O)N2CCCCC2CC2=NN=N[N-]2)C1(C)C	REAL300020216361	1	56	-1.0	-46.66	414.41	5.33	-41.33
CN1N=CC=C1C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020216362	0	46	-1.0	-51.17	353.01	6.35	-44.82
CN1N=CC=C1C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020216362	1	46	-1.0	-51.19	352.98	6.34	-44.85
O=C(C1CC2(CC(F)C2)C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020216363	0	43	-1.0	-47.06	329.18	6.26	-40.80
O=C(C1CC2(CC(F)C2)C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020216363	1	43	-1.0	-47.06	329.24	6.26	-40.80
O=C(C1=CC2=CN=NN2C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020216364	0	38	-1.0	-47.54	301.44	4.00	-43.54
O=C(C1=CC2=CN=NN2C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020216364	1	38	-1.0	-47.57	301.41	3.99	-43.58
O=C(N1CCCCC1CC1=N[N-]N=N1)C12CCC(C1)S(=O)(=O)CC2	REAL300020216365	0	46	-1.0	-49.84	329.86	2.47	-47.37
O=C(N1CCCCC1CC1=NN=N[N-]1)C12CCC(C1)S(=O)(=O)CC2	REAL300020216365	1	46	-1.0	-49.83	329.91	2.48	-47.35
O=C(C1CCCC2=NC=CC=C21)N1CCCCC1CC1=N[N-]N=N1	REAL300020216366	0	45	-1.0	-49.19	332.65	5.94	-43.25
O=C(C1CCCC2=NC=CC=C21)N1CCCCC1CC1=NN=N[N-]1	REAL300020216366	1	45	-1.0	-49.16	333.02	5.94	-43.22
CN1C=C(SCC(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020216367	0	40	-1.0	-51.77	327.03	4.84	-46.93
CN1C=C(SCC(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020216367	1	40	-1.0	-51.82	326.99	4.82	-47.00
CCSC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020216368	0	56	-1.0	-47.77	422.83	5.08	-42.69
CCSC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020216368	1	56	-1.0	-47.77	422.87	5.09	-42.68
O=C(CCC1=C(F)C=CC=C1Cl)N1CCCCC1CC1=N[N-]N=N1	REAL300020216369	0	42	-1.0	-50.38	343.58	7.71	-42.67
O=C(CCC1=C(F)C=CC=C1Cl)N1CCCCC1CC1=NN=N[N-]1	REAL300020216369	1	42	-1.0	-50.38	343.64	7.71	-42.67
CN1C=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C2=CC(Cl)=CC=C21	REAL300020216370	0	43	-1.0	-55.22	350.48	7.58	-47.64
CN1C=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C2=CC(Cl)=CC=C21	REAL300020216370	1	43	-1.0	-55.19	350.51	7.59	-47.60
O=C(CC1CC2(CCC2)CO1)N1CCCCC1CC1=N[N-]N=N1	REAL300020216371	0	47	-1.0	-52.05	346.77	6.10	-45.95
O=C(CC1CC2(CCC2)CO1)N1CCCCC1CC1=NN=N[N-]1	REAL300020216371	1	47	-1.0	-52.08	346.82	6.12	-45.96
O=C(C1=CC=C(CCF)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020216372	0	42	-1.0	-48.85	327.63	6.90	-41.95
O=C(C1=CC=C(CCF)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020216372	1	42	-1.0	-48.87	327.63	6.91	-41.96
O=C(C1CC2=CSC=C2C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020216373	0	40	-1.0	-48.96	312.03	6.31	-42.65
O=C(C1CC2=CSC=C2C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020216373	1	40	-1.0	-48.98	312.08	6.32	-42.66
CC1=CN2C=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=CC2=N1	REAL300020216374	0	42	-1.0	-49.03	325.70	6.48	-42.55
CC1=CN2C=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=CC2=N1	REAL300020216374	1	42	-1.0	-49.02	325.73	6.49	-42.53
[N-]=[N+]=NC1=CN=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020216375	0	37	-1.0	-44.13	302.61	1.26	-42.87
[N-]=[N+]=NC1=CN=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020216375	1	37	-1.0	-44.16	302.64	1.26	-42.90
[N-]=[N+]=NC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1[O-]	REAL300020216376	0	38	-2.0	-95.35	315.51	1.14	-94.21
[N-]=[N+]=NC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1[O-]	REAL300020216376	1	38	-2.0	-95.37	315.54	1.15	-94.22
[N-]=[N+]=N[C@H]1CC[C@@H](C(=O)N2CCCCC2CC2=N[N-]N=N2)CC1	REAL300020216377	0	44	-1.0	-51.21	328.10	2.63	-48.58
[N-]=[N+]=N[C@H]1CC[C@@H](C(=O)N2CCCCC2CC2=NN=N[N-]2)CC1	REAL300020216377	1	44	-1.0	-51.22	328.16	2.64	-48.58
[N-]=[N+]=N[C@H]1CC[C@H](C(=O)N2CCCCC2CC2=N[N-]N=N2)CC1	REAL300020216378	0	44	-1.0	-47.49	329.55	2.20	-45.29
[N-]=[N+]=N[C@H]1CC[C@H](C(=O)N2CCCCC2CC2=NN=N[N-]2)CC1	REAL300020216378	1	44	-1.0	-47.47	329.60	2.22	-45.25
[N-]=[N+]=N[C@@H]1C=CC[C@@H](C(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020216379	0	42	-1.0	-47.83	322.38	2.29	-45.54
[N-]=[N+]=N[C@@H]1C=CC[C@@H](C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020216379	1	42	-1.0	-47.87	322.43	2.30	-45.57
O=C(C1=CC=C(N2CCNS2(=O)=O)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020216380	0	47	-1.0	-57.21	370.58	1.41	-55.80
O=C(C1=CC=C(N2CCNS2(=O)=O)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020216380	1	47	-1.0	-57.30	370.58	1.44	-55.86
[N-]=[N+]=NCC(F)(F)CCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020216381	0	40	-1.0	-43.82	327.12	1.80	-42.02
[N-]=[N+]=NCC(F)(F)CCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020216381	1	40	-1.0	-43.80	327.17	1.80	-42.00
[N-]=[N+]=NCC1=NN2CCCC2=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020216382	0	45	-1.0	-47.85	366.07	1.05	-46.80
[N-]=[N+]=NCC1=NN2CCCC2=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020216382	1	45	-1.0	-47.83	366.13	1.06	-46.77
[N-]=[N+]=NC1CCC(C(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020216383	0	41	-1.0	-47.97	311.88	1.79	-46.18
[N-]=[N+]=NC1CCC(C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020216383	1	41	-1.0	-47.99	311.94	1.79	-46.20
CC1=NC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C2C=CNC2=N1	REAL300020216384	0	41	-1.0	-54.13	323.24	5.01	-49.12
CC1=NC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C2C=CNC2=N1	REAL300020216384	1	41	-1.0	-54.15	323.28	5.03	-49.12
[N-]=[N+]=NC1=CC=CC=C1CCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020216385	0	44	-1.0	-46.41	350.89	5.03	-41.38
[N-]=[N+]=NC1=CC=CC=C1CCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020216385	1	44	-1.0	-46.42	350.94	5.04	-41.38
CCC1=CC=CC(CC)=C1CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020216386	0	51	-1.0	-47.70	371.53	8.70	-39.00
CCC1=CC=CC(CC)=C1CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020216386	1	51	-1.0	-47.69	371.58	8.70	-38.99
CC1(C)CCCC(C(=O)N2CCCCC2CC2=N[N-]N=N2)CC1	REAL300020216387	0	51	-1.0	-48.56	342.50	7.01	-41.55
CC1(C)CCCC(C(=O)N2CCCCC2CC2=NN=N[N-]2)CC1	REAL300020216387	1	51	-1.0	-48.59	342.54	7.01	-41.58
O=C(CC1=CC=CC(OCC2CC2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020216388	0	50	-1.0	-50.12	386.31	8.30	-41.82
O=C(CC1=CC=CC(OCC2CC2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020216388	1	50	-1.0	-50.12	386.36	8.32	-41.80
O=C(C1CC2(CC(OCC3=CC=CC=C3)C2)C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020216389	0	57	-1.0	-49.70	438.16	9.16	-40.54
O=C(C1CC2(CC(OCC3=CC=CC=C3)C2)C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020216389	1	57	-1.0	-49.70	438.22	9.18	-40.52
CC(C)[C@H]1CC[C@@H](C(=O)N2CCCCC2CC2=N[N-]N=N2)CC1	REAL300020216390	0	51	-1.0	-49.82	349.01	7.19	-42.63
CC(C)[C@H]1CC[C@@H](C(=O)N2CCCCC2CC2=NN=N[N-]2)CC1	REAL300020216390	1	51	-1.0	-49.78	349.05	7.20	-42.58
CC(C)N1C=C(C2CC2C(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020216391	0	49	-1.0	-51.64	367.57	6.82	-44.82
CC(C)N1C=C(C2CC2C(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020216391	1	49	-1.0	-51.64	367.52	6.80	-44.84
O=C(C1=CC=C(OCC(F)F)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020216392	0	43	-1.0	-52.96	342.42	5.87	-47.09
O=C(C1=CC=C(OCC(F)F)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020216392	1	43	-1.0	-52.97	342.42	5.89	-47.08
COC1=CN=NC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020216393	0	38	-1.0	-49.76	298.14	2.31	-47.45
COC1=CN=NC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020216393	1	38	-1.0	-49.73	298.08	2.30	-47.43
CC1CC(=O)NCC1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020216394	0	43	-1.0	-50.04	313.53	2.35	-47.69
CC1CC(=O)NCC1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020216394	1	43	-1.0	-50.07	313.59	2.37	-47.70
NC(=O)C1=CC(F)=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020216395	0	40	-1.0	-54.90	318.25	2.18	-52.72
NC(=O)C1=CC(F)=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020216395	1	40	-1.0	-54.89	318.28	2.19	-52.70
CN1N=C(Br)C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020216396	0	35	-1.0	-48.31	295.82	2.60	-45.71
CN1N=C(Br)C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020216396	1	35	-1.0	-48.26	295.77	2.59	-45.67
CC1(C)C(C)(C)C1(F)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020216397	0	45	-1.0	-49.77	322.36	5.98	-43.79
CC1(C)C(C)(C)C1(F)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020216397	1	45	-1.0	-49.77	322.41	5.99	-43.78
O=C(C1=CN(C2=CC=CC(Cl)=C2)C(=O)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020216398	0	46	-1.0	-49.28	384.62	8.27	-41.01
O=C(C1=CN(C2=CC=CC(Cl)=C2)C(=O)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020216398	1	46	-1.0	-49.29	384.66	8.28	-41.01
COC1(C#N)CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020216399	0	41	-1.0	-48.42	320.58	3.78	-44.64
COC1(C#N)CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020216399	1	41	-1.0	-48.43	320.63	3.79	-44.64
O=C(C1=CC2=CC=CC=C2C([N+](=O)[O-])=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020216400	0	44	-1.0	-51.49	351.41	8.18	-43.31
O=C(C1=CC2=CC=CC=C2C([N+](=O)[O-])=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020216400	1	44	-1.0	-51.48	351.43	8.20	-43.28
O=C(C1CCOC2(CCCCC2)C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020216401	0	53	-1.0	-49.17	366.70	6.50	-42.67
O=C(C1CCOC2(CCCCC2)C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020216401	1	53	-1.0	-49.26	366.75	6.53	-42.73
O=C(CC(C1=CC=C(F)C(F)=C1)C1CC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020216402	0	49	-1.0	-52.29	371.03	9.41	-42.88
O=C(CC(C1=CC=C(F)C(F)=C1)C1CC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020216402	1	49	-1.0	-52.30	371.08	9.42	-42.88
CC1(C)CC(CC(=O)N2CCCCC2CC2=N[N-]N=N2)CO1	REAL300020216403	0	46	-1.0	-49.85	342.96	4.75	-45.10
CC1(C)CC(CC(=O)N2CCCCC2CC2=NN=N[N-]2)CO1	REAL300020216403	1	46	-1.0	-49.84	343.02	4.77	-45.07
CC(C(=O)N1CCCCC1CC1=N[N-]N=N1)C1=CC=CC2=CC=CC=C21	REAL300020216404	0	48	-1.0	-49.86	357.18	8.98	-40.88
CC(C(=O)N1CCCCC1CC1=NN=N[N-]1)C1=CC=CC2=CC=CC=C21	REAL300020216404	1	48	-1.0	-49.87	357.23	9.00	-40.87
COC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC(F)=C1F	REAL300020216405	0	40	-1.0	-46.59	324.26	4.99	-41.60
COC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC(F)=C1F	REAL300020216405	1	40	-1.0	-46.59	324.30	5.00	-41.59
COC1=CC2=CC=CN=C2C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020216406	0	45	-1.0	-58.88	345.69	5.21	-53.67
COC1=CC2=CC=CN=C2C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020216406	1	45	-1.0	-58.88	345.66	5.19	-53.69
O=C(C1=CC(C(F)(F)F)=NC=C1Cl)N1CCCCC1CC1=NN=N[N-]1	REAL300020216407	0	38	-1.0	-44.45	326.29	5.07	-39.38
O=C(C1=CC(C(F)(F)F)=NC=C1Cl)N1CCCCC1CC1=N[N-]N=N1	REAL300020216407	1	38	-1.0	-44.47	326.27	5.06	-39.41
O=C(CC1CCC(=O)NC1=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020216408	0	42	-1.0	-60.76	314.61	3.21	-57.55
O=C(CC1CCC(=O)NC1=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020216408	1	42	-1.0	-60.85	314.64	3.22	-57.63
O=C(C1CCCCC(=O)C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020216409	0	44	-1.0	-46.31	320.48	5.54	-40.77
O=C(C1CCCCC(=O)C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020216409	1	44	-1.0	-46.36	320.53	5.54	-40.82
CCN1N=C(Br)C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020216410	0	38	-1.0	-48.00	317.66	3.42	-44.58
CCN1N=C(Br)C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020216410	1	38	-1.0	-47.99	317.60	3.41	-44.58
CC(C)(C)C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C(Cl)=N1	REAL300020216411	0	47	-1.0	-49.90	366.31	6.55	-43.35
CC(C)(C)C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C(Cl)=N1	REAL300020216411	1	47	-1.0	-49.94	366.34	6.53	-43.41
CN1C(=O)NC2(CCC(C(=O)N3CCCCC3CC3=N[N-]N=N3)CC2)C1=O	REAL300020216412	0	51	-1.0	-55.40	372.79	3.14	-52.26
CN1C(=O)NC2(CCC(C(=O)N3CCCCC3CC3=NN=N[N-]3)CC2)C1=O	REAL300020216412	1	51	-1.0	-55.37	372.84	3.16	-52.21
O=C(C1=CC=CC(C2=NNC=C2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020216413	0	43	-1.0	-57.27	339.03	5.41	-51.86
O=C(C1=CC=CC(C2=NNC=C2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020216413	1	43	-1.0	-57.34	339.06	5.42	-51.92
CC1=C2NN=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C2=CC=C1	REAL300020216414	0	42	-1.0	-52.77	326.16	5.30	-47.47
CC1=C2NN=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C2=CC=C1	REAL300020216414	1	42	-1.0	-52.77	326.22	5.31	-47.46
O=C(C1CCC2(CCOCC2)O1)N1CCCCC1CC1=N[N-]N=N1	REAL300020216415	0	48	-1.0	-58.41	348.55	3.82	-54.59
O=C(C1CCC2(CCOCC2)O1)N1CCCCC1CC1=NN=N[N-]1	REAL300020216415	1	48	-1.0	-55.18	347.17	4.48	-50.70
O=C(C1CCC2(CCC2)O1)N1CCCCC1CC1=N[N-]N=N1	REAL300020216416	0	44	-1.0	-53.84	324.33	5.60	-48.24
O=C(C1CCC2(CCC2)O1)N1CCCCC1CC1=NN=N[N-]1	REAL300020216416	1	44	-1.0	-53.88	324.38	5.60	-48.28
CC1=CC=CC=C1C1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=NO1	REAL300020216417	0	45	-1.0	-48.69	354.78	7.65	-41.04
CC1=CC=CC=C1C1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=NO1	REAL300020216417	1	45	-1.0	-48.71	354.73	7.63	-41.08
CC(F)(F)C1=CC=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020216418	0	41	-1.0	-47.03	324.93	6.17	-40.86
CC(F)(F)C1=CC=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020216418	1	41	-1.0	-47.03	324.89	6.14	-40.89
O=C(C1=CC=CC2=C1COC2)N1CCCCC1CC1=N[N-]N=N1	REAL300020216419	0	41	-1.0	-50.01	313.58	4.59	-45.42
O=C(C1=CC=CC2=C1COC2)N1CCCCC1CC1=NN=N[N-]1	REAL300020216419	1	41	-1.0	-50.01	313.54	4.60	-45.41
CC1CCCC(C(=O)N2CCCCC2CC2=N[N-]N=N2)CC1	REAL300020216420	0	48	-1.0	-48.36	333.54	6.82	-41.54
CC1CCCC(C(=O)N2CCCCC2CC2=NN=N[N-]2)CC1	REAL300020216420	1	48	-1.0	-48.32	333.59	6.83	-41.49
CC(C(=O)N1CCCCC1CC1=N[N-]N=N1)C1=CC=CC=C1Cl	REAL300020216421	0	42	-1.0	-47.97	327.62	7.15	-40.82
CC(C(=O)N1CCCCC1CC1=NN=N[N-]1)C1=CC=CC=C1Cl	REAL300020216421	1	42	-1.0	-47.98	327.67	7.17	-40.81
O=C(C1=CC=CC(CC2=CC=CC=N2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020216422	0	48	-1.0	-56.81	379.41	8.20	-48.61
O=C(C1=CC=CC(CC2=CC=CC=N2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020216422	1	48	-1.0	-56.80	379.46	8.21	-48.59
O=C(C1=COC2=C(F)C=C(Cl)C=C12)N1CCCCC1CC1=N[N-]N=N1	REAL300020216423	0	39	-1.0	-52.04	334.48	6.40	-45.64
O=C(C1=COC2=C(F)C=C(Cl)C=C12)N1CCCCC1CC1=NN=N[N-]1	REAL300020216423	1	39	-1.0	-51.74	334.52	6.46	-45.28
O=C(C1=NC2=NC=CN2C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020216424	0	38	-1.0	-54.48	300.54	7.36	-47.12
O=C(C1=NC2=NC=CN2C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020216424	1	38	-1.0	-54.50	300.48	7.35	-47.15
O=C(C1CCC2(CC1)NC(=O)NC2=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020216425	0	48	-1.0	-61.03	352.27	0.84	-60.19
O=C(C1CCC2(CC1)NC(=O)NC2=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020216425	1	48	-1.0	-61.06	352.33	0.84	-60.22
CCCN1C=C(Cl)C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020216426	0	42	-1.0	-52.29	339.43	5.90	-46.39
CCCN1C=C(Cl)C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020216426	1	42	-1.0	-52.26	339.38	5.89	-46.37
CC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C(Cl)N=C1C	REAL300020216427	0	41	-1.0	-50.74	325.54	5.14	-45.60
CC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C(Cl)N=C1C	REAL300020216427	1	41	-1.0	-50.74	325.52	5.14	-45.60
COC(=O)C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1C(F)(F)F	REAL300020216428	0	45	-1.0	-48.17	365.01	6.82	-41.35
COC(=O)C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1C(F)(F)F	REAL300020216428	1	45	-1.0	-48.19	365.05	6.84	-41.35
COC(=O)C1CCC(C(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020216429	0	45	-1.0	-50.41	341.22	5.39	-45.02
COC(=O)C1CCC(C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020216429	1	45	-1.0	-50.37	341.29	5.41	-44.96
COC(=O)C1=NNC2=CC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C21	REAL300020216430	0	45	-1.0	-54.88	361.92	4.76	-50.12
COC(=O)C1=NNC2=CC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C21	REAL300020216430	1	45	-1.0	-54.92	361.96	4.76	-50.16
CC(C)(C)C1CCNC2=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=NN21	REAL300020216431	0	54	-1.0	-52.43	387.55	5.50	-46.93
CC(C)(C)C1CCNC2=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=NN21	REAL300020216431	1	54	-1.0	-52.44	387.51	5.48	-46.96
CNC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)SC2=NC=CN=C21	REAL300020216432	0	42	-1.0	-45.31	343.60	2.28	-43.03
CNC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)SC2=NC=CN=C21	REAL300020216432	1	42	-1.0	-45.31	343.58	2.28	-43.03
CC1=NN=C2SC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=C(N)C2=C1C	REAL300020216433	0	45	-1.0	-46.84	348.67	3.43	-43.41
CC1=NN=C2SC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=C(N)C2=C1C	REAL300020216433	1	45	-1.0	-46.88	348.69	3.45	-43.43
CC1=C(Cl)C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=NN1	REAL300020216434	0	36	-1.0	-52.09	294.96	3.58	-48.51
CC1=C(Cl)C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=NN1	REAL300020216434	1	36	-1.0	-52.12	295.01	3.59	-48.53
NC(=O)C1=CC=C(F)C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020216435	0	40	-1.0	-58.67	317.83	2.19	-56.48
NC(=O)C1=CC=C(F)C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020216435	1	40	-1.0	-58.71	317.83	2.21	-56.50
CC(C)(C)OC(=O)N1CC(N=[N+]=[N-])(C(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020216436	0	52	-1.0	-50.04	401.78	1.50	-48.54
CC(C)(C)OC(=O)N1CC(N=[N+]=[N-])(C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020216436	1	52	-1.0	-50.01	401.82	1.52	-48.49
[N-]=[N+]=N[C@@H]1C[C@@]2(C(=O)N3CCCCC3CC3=N[N-]N=N3)C[C@@H]12	REAL300020216437	0	39	-1.0	-49.76	314.33	1.65	-48.11
[N-]=[N+]=N[C@@H]1C[C@@]2(C(=O)N3CCCCC3CC3=NN=N[N-]3)C[C@@H]12	REAL300020216437	1	39	-1.0	-49.74	314.39	1.67	-48.07
[N-]=[N+]=NC12CCC(C(=O)N3CCCCC3CC3=N[N-]N=N3)(CC1)C2	REAL300020216438	0	45	-1.0	-50.71	332.44	2.56	-48.15
[N-]=[N+]=NC12CCC(C(=O)N3CCCCC3CC3=NN=N[N-]3)(CC1)C2	REAL300020216438	1	45	-1.0	-50.79	332.50	2.57	-48.22
O=C(C1=NOC(C2=CC=C3OCOC3=C2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020216439	0	45	-1.0	-48.07	360.61	5.69	-42.38
O=C(C1=NOC(C2=CC=C3OCOC3=C2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020216439	1	45	-1.0	-48.03	360.56	5.66	-42.37
O=C(C1=CC(C2CCC2)=NO1)N1CCCCC1CC1=N[N-]N=N1	REAL300020216440	0	42	-1.0	-44.53	321.78	5.55	-38.98
O=C(C1=CC(C2CCC2)=NO1)N1CCCCC1CC1=NN=N[N-]1	REAL300020216440	1	42	-1.0	-44.58	321.84	5.57	-39.01
CC(C)C1=NOC(C(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020216441	0	43	-1.0	-54.69	332.35	4.91	-49.78
CC(C)C1=NOC(C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020216441	1	43	-1.0	-54.65	332.41	4.92	-49.73
CC1=CC(C(F)(F)C(=O)N2CCCCC2CC2=N[N-]N=N2)=CS1	REAL300020216442	0	39	-1.0	-45.57	323.28	6.18	-39.39
CC1=CC(C(F)(F)C(=O)N2CCCCC2CC2=NN=N[N-]2)=CS1	REAL300020216442	1	39	-1.0	-45.59	323.34	6.21	-39.38
[N-]=[N+]=NC1=CC=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020216443	0	38	-1.0	-46.10	307.60	3.08	-43.02
[N-]=[N+]=NC1=CC=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020216443	1	38	-1.0	-46.12	307.64	3.09	-43.03
[N-]=[N+]=NCC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)O1	REAL300020216444	0	38	-1.0	-48.01	312.07	1.20	-46.81
[N-]=[N+]=NCC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)O1	REAL300020216444	1	38	-1.0	-48.02	312.13	1.20	-46.82
CC1=NN(CC(F)(F)F)C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020216445	0	42	-1.0	-48.73	340.37	4.77	-43.96
CC1=NN(CC(F)(F)F)C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020216445	1	42	-1.0	-48.76	340.42	4.77	-43.99
[N-]=[N+]=NCCCCCCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020216446	0	46	-1.0	-47.20	359.21	3.22	-43.98
[N-]=[N+]=NCCCCCCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020216446	1	46	-1.0	-47.21	359.26	3.23	-43.98
[N-]=[N+]=NCC1=CC=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020216447	0	41	-1.0	-49.40	331.51	2.65	-46.75
[N-]=[N+]=NCC1=CC=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020216447	1	41	-1.0	-49.42	331.55	2.65	-46.77
[N-]=[N+]=NCCCCCCCCCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020216448	0	55	-1.0	-49.44	423.71	5.56	-43.88
[N-]=[N+]=NCCCCCCCCCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020216448	1	55	-1.0	-49.54	423.76	5.57	-43.97
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C(Cl)N=C1Cl	REAL300020216449	0	38	-1.0	-36.71	327.49	5.51	-31.20
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C(Cl)N=C1Cl	REAL300020216449	1	38	-1.0	-36.73	327.44	5.50	-31.23
CC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C(N=[N+]=[N-])=C1	REAL300020216450	0	41	-1.0	-50.11	326.59	3.86	-46.25
CC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C(N=[N+]=[N-])=C1	REAL300020216450	1	41	-1.0	-50.09	326.56	3.87	-46.22
CCOCC(N=[N+]=[N-])C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020216451	0	41	-1.0	-46.51	329.74	-0.46	-46.97
CCOCC(N=[N+]=[N-])C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020216451	1	41	-1.0	-46.50	329.82	-0.44	-46.94
CN1C=C(C(F)(F)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020216452	0	39	-1.0	-50.31	314.96	4.24	-46.07
CN1C=C(C(F)(F)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020216452	1	39	-1.0	-50.32	314.90	4.21	-46.11
O=C(C1CC(C2CCC2)C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020216453	0	46	-1.0	-47.01	342.40	7.14	-39.87
O=C(C1CC(C2CCC2)C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020216453	1	46	-1.0	-46.93	342.46	7.16	-39.77
O=C(C1=CC=C(CN2CCOCC2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020216454	0	52	-1.0	-50.02	388.57	4.46	-45.56
O=C(C1=CC=C(CN2CCOCC2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020216454	1	52	-1.0	-50.01	388.60	4.49	-45.52
O=C(CC1CC[NH+](CC2=CC=CC=C2)CC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020216455	0	58	0.0	-57.20	414.97	10.21	-46.99
O=C(CC1CC[NH+](CC2=CC=CC=C2)CC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020216455	1	58	0.0	-57.23	415.02	10.22	-47.01
CC1CN(CC2=CC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2)CCO1	REAL300020216456	0	55	-1.0	-48.81	409.22	5.03	-43.78
CC1CN(CC2=CC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2)CCO1	REAL300020216456	1	55	-1.0	-48.85	409.25	5.04	-43.81
CC1C[N@H+](CC2=CC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2)CCO1	REAL300020216456	1	56	0.0	-74.68	408.01	7.63	-67.05
CC1C[N@@H+](CC2=CC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2)CCO1	REAL300020216456	1	56	0.0	-75.52	403.92	7.42	-68.10
CCNC(=O)N1CCC(C(=O)N2CCCCC2CC2=N[N-]N=N2)CC1	REAL300020216457	0	51	-1.0	-58.39	372.79	4.32	-54.07
CCNC(=O)N1CCC(C(=O)N2CCCCC2CC2=NN=N[N-]2)CC1	REAL300020216457	1	51	-1.0	-58.42	372.84	4.33	-54.09
COC1=CC([C@@H](C)CC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1C	REAL300020216458	0	52	-1.0	-47.02	391.30	7.46	-39.56
COC1=CC([C@@H](C)CC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1C	REAL300020216458	1	52	-1.0	-47.04	391.36	7.47	-39.57
C#CC1=CC=CC(OCC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020216459	0	42	-1.0	-57.21	339.44	7.30	-49.91
C#CC1=CC=CC(OCC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020216459	1	42	-1.0	-57.24	339.50	7.32	-49.92
O=C(C=CC1=CC=C2CCOCC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020216460	0	48	-1.0	-50.83	365.69	6.99	-43.84
O=C(C=CC1=CC=C2CCOCC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020216460	1	48	-1.0	-50.84	365.74	6.99	-43.85
O=C(C1CCCC2(CCC2)C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020216461	0	49	-1.0	-49.98	345.96	7.40	-42.58
O=C(C1CCCC2(CCC2)C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020216461	1	49	-1.0	-49.99	346.02	7.40	-42.59
CC(C)CN1N=CC=C1[C@@H]1C[C@H]1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020216462	0	52	-1.0	-48.15	394.74	6.93	-41.22
CC(C)CN1N=CC=C1[C@@H]1C[C@H]1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020216462	1	52	-1.0	-48.18	394.80	6.97	-41.21
CC(C)CN1C=C([C@@H]2C[C@H]2C(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020216463	0	52	-1.0	-47.76	397.20	7.76	-40.00
CC(C)CN1C=C([C@@H]2C[C@H]2C(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020216463	1	52	-1.0	-47.74	397.13	7.75	-39.99
O=C([C@@H]1C[C@H]1C1=CN(C2=CC=CC=C2)N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020216464	0	50	-1.0	-50.57	390.68	8.96	-41.61
O=C([C@@H]1C[C@H]1C1=CN(C2=CC=CC=C2)N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020216464	1	50	-1.0	-50.53	390.63	8.96	-41.57
O=C(C1CC2CCCCCCC21)N1CCCCC1CC1=N[N-]N=N1	REAL300020216465	0	52	-1.0	-48.62	357.24	7.50	-41.12
O=C(C1CC2CCCCCCC21)N1CCCCC1CC1=NN=N[N-]1	REAL300020216465	1	52	-1.0	-48.61	357.30	7.52	-41.09
CC(C)(C)OC(=O)N1CCC(C(=O)N2CCCCC2CC2=N[N-]N=N2)C1(C)C	REAL300020216466	0	59	-1.0	-47.49	416.65	6.58	-40.91
CC(C)(C)OC(=O)N1CCC(C(=O)N2CCCCC2CC2=NN=N[N-]2)C1(C)C	REAL300020216466	1	59	-1.0	-47.50	416.70	6.60	-40.90
CC1CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)CCS1	REAL300020216467	0	43	-1.0	-38.49	306.20	5.61	-32.88
CC1CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)CCS1	REAL300020216467	1	43	-1.0	-38.47	306.25	5.61	-32.86
O=C(C1=NN2CC3(CC3)CC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020216468	0	44	-1.0	-54.31	337.23	5.92	-48.39
O=C(C1=NN2CC3(CC3)CC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020216468	1	44	-1.0	-54.29	337.29	5.94	-48.35
CC(C)(C)OC(=O)C1CC12CCC(C(=O)N1CCCCC1CC1=N[N-]N=N1)C2	REAL300020216469	0	58	-1.0	-58.98	423.10	9.29	-49.69
CC(C)(C)OC(=O)C1CC12CCC(C(=O)N1CCCCC1CC1=NN=N[N-]1)C2	REAL300020216469	1	58	-1.0	-59.06	423.16	9.29	-49.77
O=C(CC1=CC=C2OC=NC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020216470	0	41	-1.0	-54.16	329.45	2.94	-51.22
O=C(CC1=CC=C2OC=NC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020216470	1	41	-1.0	-54.17	329.51	2.95	-51.22
COC1CC(CCC(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020216471	0	46	-1.0	-49.63	351.11	4.90	-44.73
COC1CC(CCC(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020216471	1	46	-1.0	-49.61	351.17	4.93	-44.68
CCCCC[C@@H](O)CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020216472	0	48	-1.0	-50.75	363.55	4.56	-46.19
CCCCC[C@@H](O)CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020216472	1	48	-1.0	-50.70	363.61	4.57	-46.13
CC1=NC2=C(C#N)C=NN2C=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020216473	0	42	-1.0	-47.39	345.41	5.51	-41.88
CC1=NC2=C(C#N)C=NN2C=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020216473	1	42	-1.0	-47.39	345.47	5.53	-41.86
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)N2C=CC=CC2=N1	REAL300020216474	0	42	-1.0	-45.80	325.01	7.00	-38.80
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)N2C=CC=CC2=N1	REAL300020216474	1	42	-1.0	-45.82	325.06	7.00	-38.82
CC(C)CC1=NC=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020216475	0	46	-1.0	-46.69	350.55	6.18	-40.51
CC(C)CC1=NC=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020216475	1	46	-1.0	-46.67	350.61	6.19	-40.48
CN1C=C(Br)C(OCC(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020216476	0	40	-1.0	-56.82	339.24	3.15	-53.67
CN1C=C(Br)C(OCC(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020216476	1	40	-1.0	-56.81	339.19	3.15	-53.66
O=C(C1=NN2C=CC=NC2=C1Cl)N1CCCCC1CC1=NN=N[N-]1	REAL300020216477	0	38	-1.0	-59.92	316.29	5.36	-54.56
O=C(C1=NN2C=CC=NC2=C1Cl)N1CCCCC1CC1=N[N-]N=N1	REAL300020216477	1	38	-1.0	-59.98	316.24	5.35	-54.63
CC(C)(C)OC(=O)NC[C@@]1(F)C[C@H](C(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020216478	0	56	-1.0	-54.84	423.79	4.79	-50.05
CC(C)(C)OC(=O)NC[C@@]1(F)C[C@H](C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020216478	1	56	-1.0	-54.83	423.85	4.81	-50.02
CC(C)(C)OC(=O)NC[C@@]1(F)C[C@@H](C(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020216479	0	56	-1.0	-49.07	426.93	4.80	-44.27
CC(C)(C)OC(=O)NC[C@@]1(F)C[C@@H](C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020216479	1	56	-1.0	-49.10	426.98	4.79	-44.31
CCC1=C(C)C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=NO1	REAL300020216480	0	41	-1.0	-48.30	314.91	5.53	-42.77
CCC1=C(C)C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=NO1	REAL300020216480	1	41	-1.0	-48.30	314.96	5.54	-42.76
CC(C)(C)OC(=O)N[C@@H]1C[C@]2(C(=O)N3CCCCC3CC3=N[N-]N=N3)C[C@H]12	REAL300020216481	0	54	-1.0	-54.19	404.76	5.11	-49.08
CC(C)(C)OC(=O)N[C@@H]1C[C@]2(C(=O)N3CCCCC3CC3=NN=N[N-]3)C[C@H]12	REAL300020216481	1	54	-1.0	-54.20	404.82	5.12	-49.08
COC(=O)[C@@H]1C[C@@]1(C(=O)N1CCCCC1CC1=N[N-]N=N1)C(C)C	REAL300020216482	0	48	-1.0	-52.98	346.67	5.86	-47.12
COC(=O)[C@@H]1C[C@@]1(C(=O)N1CCCCC1CC1=NN=N[N-]1)C(C)C	REAL300020216482	1	48	-1.0	-52.95	346.74	5.89	-47.06
O=C(C1=C2C=CC=CN2C(Br)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020216483	0	39	-1.0	-53.30	325.28	7.36	-45.94
O=C(C1=C2C=CC=CN2C(Br)=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020216483	1	39	-1.0	-53.26	325.22	7.35	-45.91
O=C(C1CCCCNC1=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020216484	0	43	-1.0	-45.58	295.70	2.96	-42.62
O=C(C1CCCCNC1=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020216484	1	43	-1.0	-45.58	295.72	2.99	-42.59
COCCN1C=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C1=O	REAL300020216485	0	46	-1.0	-68.71	355.88	4.74	-63.97
COCCN1C=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C1=O	REAL300020216485	1	46	-1.0	-68.76	355.95	4.75	-64.01
O=C(C1=C2NC(=O)CCC2=CC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020216486	0	44	-1.0	-45.23	340.59	5.42	-39.81
O=C(C1=C2NC(=O)CCC2=CC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020216486	1	44	-1.0	-45.26	340.64	5.44	-39.82
O=C(C1=NN(CC(F)(F)F)C=C1Cl)N1CCCCC1CC1=NN=N[N-]1	REAL300020216487	0	39	-1.0	-53.55	334.94	5.61	-47.94
O=C(C1=NN(CC(F)(F)F)C=C1Cl)N1CCCCC1CC1=N[N-]N=N1	REAL300020216487	1	39	-1.0	-53.53	334.89	5.60	-47.93
CC1=CC=C(F)C=C1C(F)(F)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020216488	0	42	-1.0	-50.42	326.50	7.39	-43.03
CC1=CC=C(F)C=C1C(F)(F)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020216488	1	42	-1.0	-50.41	326.56	7.41	-43.00
O=C(C1=CC=CN(C2CCC2)C1=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020216489	0	46	-1.0	-64.87	345.75	6.10	-58.77
O=C(C1=CC=CN(C2CCC2)C1=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020216489	1	46	-1.0	-64.83	345.81	6.11	-58.72
O=C(C1=NN(CC(F)F)C=C1[N+](=O)[O-])N1CCCCC1CC1=NN=N[N-]1	REAL300020216490	0	41	-1.0	-61.14	338.25	6.16	-54.98
O=C(C1=NN(CC(F)F)C=C1[N+](=O)[O-])N1CCCCC1CC1=N[N-]N=N1	REAL300020216490	1	41	-1.0	-61.09	338.20	6.13	-54.96
O=C(N1CCCCC1CC1=N[N-]N=N1)C(F)(F)C1=CC(F)=CC=C1F	REAL300020216491	0	39	-1.0	-45.92	320.92	6.51	-39.41
O=C(N1CCCCC1CC1=NN=N[N-]1)C(F)(F)C1=CC(F)=CC=C1F	REAL300020216491	1	39	-1.0	-45.89	320.97	6.52	-39.37
O=C(N1CCCCC1CC1=N[N-]N=N1)C(F)(F)C1=CC=CC(F)=C1F	REAL300020216492	0	39	-1.0	-46.21	316.35	6.67	-39.54
O=C(N1CCCCC1CC1=NN=N[N-]1)C(F)(F)C1=CC=CC(F)=C1F	REAL300020216492	1	39	-1.0	-46.23	316.41	6.67	-39.56
CCC1=CC=CC=C1C(F)(F)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020216493	0	45	-1.0	-48.00	336.64	7.82	-40.18
CCC1=CC=CC=C1C(F)(F)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020216493	1	45	-1.0	-48.01	336.70	7.84	-40.17
O=C(CC(C1=CC=CC=C1)N1C=NN=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020216494	0	47	-1.0	-59.69	366.79	6.73	-52.96
O=C(CC(C1=CC=CC=C1)N1C=NN=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020216494	1	47	-1.0	-59.66	366.73	6.71	-52.95
CN1C2=C(CCCC1=O)OC=C2C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020216495	0	47	-1.0	-42.37	360.97	5.15	-37.22
CN1C2=C(CCCC1=O)OC=C2C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020216495	1	47	-1.0	-42.37	361.02	5.15	-37.22
O=C(C1=CC2=CC=C(Cl)N=C2S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020216496	0	38	-1.0	-47.40	327.81	5.49	-41.91
O=C(C1=CC2=CC=C(Cl)N=C2S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020216496	1	38	-1.0	-47.42	327.78	5.48	-41.94
O=C(CC1=C2NC=CC=C2N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020216497	0	42	-1.0	-54.72	329.49	4.64	-50.08
O=C(CC1=C2NC=CC=C2N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020216497	1	42	-1.0	-54.72	329.54	4.65	-50.07
COC1=C2NC=C(CC(=O)N3CCCCC3CC3=N[N-]N=N3)C2=CC=C1	REAL300020216498	0	47	-1.0	-52.69	364.70	5.83	-46.86
COC1=C2NC=C(CC(=O)N3CCCCC3CC3=NN=N[N-]3)C2=CC=C1	REAL300020216498	1	47	-1.0	-52.67	364.76	5.85	-46.82
O=C(C1=CC2=C(Cl)C=C(F)C=C2N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020216499	0	40	-1.0	-45.79	333.23	6.33	-39.46
O=C(C1=CC2=C(Cl)C=C(F)C=C2N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020216499	1	40	-1.0	-45.83	333.26	6.33	-39.50
COC(=O)C1=CC=C(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C(C)=C1	REAL300020216500	0	48	-1.0	-51.86	379.45	7.21	-44.65
COC(=O)C1=CC=C(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C(C)=C1	REAL300020216500	1	48	-1.0	-51.87	379.52	7.24	-44.63
O=C(C1=CC2=C(COCC2)N=C1Cl)N1CCCCC1CC1=N[N-]N=N1	REAL300020216501	0	43	-1.0	-48.76	340.92	4.01	-44.75
O=C(C1=CC2=C(COCC2)N=C1Cl)N1CCCCC1CC1=NN=N[N-]1	REAL300020216501	1	43	-1.0	-48.78	340.92	4.03	-44.75
CC1=C(Br)C(=O)C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CN1C	REAL300020216502	0	42	-1.0	-65.19	337.40	5.63	-59.56
CC1=C(Br)C(=O)C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CN1C	REAL300020216502	1	42	-1.0	-65.23	337.46	5.62	-59.61
CS(C)(=O)=NC1=CC=NC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020216503	0	45	-1.0	-71.01	353.97	2.77	-68.24
CS(C)(=O)=NC1=CC=NC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020216503	1	45	-1.0	-70.97	354.02	2.77	-68.20
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)NC2=C1CCCC2	REAL300020216504	0	47	-1.0	-49.93	346.41	6.67	-43.26
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)NC2=C1CCCC2	REAL300020216504	1	47	-1.0	-49.91	346.46	6.69	-43.22
O=C(C1=CC(CC2CCC2)=CN1)N1CCCCC1CC1=N[N-]N=N1	REAL300020216505	0	47	-1.0	-54.26	356.48	7.22	-47.04
O=C(C1=CC(CC2CCC2)=CN1)N1CCCCC1CC1=NN=N[N-]1	REAL300020216505	1	47	-1.0	-54.32	356.55	7.22	-47.10
COC(=O)C1=CSC(CC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020216506	0	42	-1.0	-55.75	349.55	6.24	-49.51
COC(=O)C1=CSC(CC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020216506	1	42	-1.0	-55.79	349.60	6.24	-49.55
COC(=O)C1=CC=C(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1F	REAL300020216507	0	45	-1.0	-57.04	362.64	7.18	-49.86
COC(=O)C1=CC=C(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1F	REAL300020216507	1	45	-1.0	-57.07	362.69	7.20	-49.87
CCC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=CS1	REAL300020216508	0	39	-1.0	-48.72	305.06	5.71	-43.01
CCC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=CS1	REAL300020216508	1	39	-1.0	-48.72	305.09	5.72	-43.00
CCCCN1C=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)N=N1	REAL300020216509	0	44	-1.0	-47.27	341.40	4.70	-42.57
CCCCN1C=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)N=N1	REAL300020216509	1	44	-1.0	-47.24	341.35	4.68	-42.56
C[C@H]1C(=O)N(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C(=O)[C@H]1C	REAL300020216510	0	45	-1.0	-56.01	344.38	4.46	-51.55
C[C@H]1C(=O)N(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C(=O)[C@H]1C	REAL300020216510	1	45	-1.0	-56.01	344.43	4.47	-51.54
O=C(C1CCC2(CNC(=O)C2)CC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020216511	0	50	-1.0	-53.72	357.52	3.58	-50.14
O=C(C1CCC2(CNC(=O)C2)CC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020216511	1	50	-1.0	-53.75	357.58	3.60	-50.15
COC(=O)[C@@H]1[C@H](C(=O)N2CCCCC2CC2=N[N-]N=N2)C1(C)C	REAL300020216512	0	45	-1.0	-48.94	332.25	5.78	-43.16
COC(=O)[C@@H]1[C@H](C(=O)N2CCCCC2CC2=NN=N[N-]2)C1(C)C	REAL300020216512	1	45	-1.0	-48.97	332.26	5.79	-43.18
COC(=O)C1=C2CCCCC2=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020216513	0	49	-1.0	-47.80	385.46	7.47	-40.33
COC(=O)C1=C2CCCCC2=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020216513	1	49	-1.0	-47.81	385.51	7.48	-40.33
O=C(C1CC(C2CCOCC2)=NO1)N1CCCCC1CC1=N[N-]N=N1	REAL300020216514	0	48	-1.0	-56.67	364.90	4.43	-52.24
O=C(C1CC(C2CCOCC2)=NO1)N1CCCCC1CC1=NN=N[N-]1	REAL300020216514	1	48	-1.0	-56.63	364.96	4.44	-52.19
O=C(C1CC(CC2=CC=CC=C2)=NO1)N1CCCCC1CC1=N[N-]N=N1	REAL300020216515	0	47	-1.0	-56.87	371.44	7.33	-49.54
O=C(C1CC(CC2=CC=CC=C2)=NO1)N1CCCCC1CC1=NN=N[N-]1	REAL300020216515	1	47	-1.0	-56.85	371.50	7.34	-49.51
CC1=NOC2(CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)C2)C1	REAL300020216516	0	44	-1.0	-55.86	338.26	4.60	-51.26
CC1=NOC2(CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)C2)C1	REAL300020216516	1	44	-1.0	-55.86	338.32	4.62	-51.24
CC(C)CC1=CC=C2C(N)=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)SC2=N1	REAL300020216517	0	52	-1.0	-54.15	403.31	5.67	-48.48
CC(C)CC1=CC=C2C(N)=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)SC2=N1	REAL300020216517	1	52	-1.0	-54.16	403.38	5.68	-48.48
CCCC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=NN1C	REAL300020216518	0	45	-1.0	-53.65	343.60	5.74	-47.91
CCCC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=NN1C	REAL300020216518	1	45	-1.0	-53.65	343.66	5.76	-47.89
CCCC1=NN(C)C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020216519	0	45	-1.0	-47.50	343.67	5.19	-42.31
CCCC1=NN(C)C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020216519	1	45	-1.0	-47.46	343.80	5.19	-42.27
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCCCC2CC2=N[N-]N=N2)CC1	REAL300020216520	0	51	0.0	-58.81	347.31	6.59	-52.22
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCCCC2CC2=NN=N[N-]2)CC1	REAL300020216520	1	51	0.0	-58.87	347.37	6.60	-52.27
O=C(C1=C2CCCCC2=NNC1=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020216521	0	45	-1.0	-57.35	336.71	3.32	-54.03
O=C(C1=C2CCCCC2=NNC1=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020216521	1	45	-1.0	-57.35	336.72	3.34	-54.01
CC(C)CC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=NO1	REAL300020216522	0	44	-1.0	-48.48	336.47	6.17	-42.31
CC(C)CC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=NO1	REAL300020216522	1	44	-1.0	-48.48	336.52	6.18	-42.30
CC1=C(C2CC2)ON=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020216523	0	42	-1.0	-47.58	325.32	6.37	-41.21
CC1=C(C2CC2)ON=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020216523	1	42	-1.0	-47.60	325.38	6.38	-41.22
O=C(C1=CN=C(C2CCOCC2)S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020216524	0	46	-1.0	-48.43	359.64	4.15	-44.28
O=C(C1=CN=C(C2CCOCC2)S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020216524	1	46	-1.0	-48.55	360.16	4.13	-44.42
O=C(N1CCCCC1CC1=N[N-]N=N1)C12CC(C(F)(F)F)(C1)CO2	REAL300020216525	0	41	-1.0	-47.30	325.55	4.61	-42.69
O=C(N1CCCCC1CC1=NN=N[N-]1)C12CC(C(F)(F)F)(C1)CO2	REAL300020216525	1	41	-1.0	-47.30	325.60	4.62	-42.68
CC(NC1=CC=C(C(F)(F)F)C=N1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020216526	0	46	-1.0	-48.54	366.41	5.30	-43.24
CC(NC1=CC=C(C(F)(F)F)C=N1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020216526	1	46	-1.0	-48.52	366.47	5.31	-43.21
O=C(C1=CN=C2COCCC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020216527	0	43	-1.0	-47.76	328.85	3.57	-44.19
O=C(C1=CN=C2COCCC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020216527	1	43	-1.0	-47.80	328.89	3.57	-44.23
CCC1=CC([N+](=O)[O-])=CC=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020216528	0	44	-1.0	-36.93	347.94	7.85	-29.08
CCC1=CC([N+](=O)[O-])=CC=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020216528	1	44	-1.0	-36.93	347.99	7.85	-29.08
O=C(C1=C(F)C(F)=C(F)C(F)=C1F)N1CCCCC1CC1=N[N-]N=N1	REAL300020216590	0	36	-1.0	-44.92	313.62	5.83	-39.09
O=C(C1=C(F)C(F)=C(F)C(F)=C1F)N1CCCCC1CC1=NN=N[N-]1	REAL300020216590	1	36	-1.0	-44.95	313.67	5.83	-39.12
O=C(CCC1=N[N-]N=N1)NC1=NC2=CC(C(F)(F)C(F)(F)F)=CC=C2N1	REAL300020216591	0	35	-1.0	-37.53	328.30	5.89	-31.64
O=C(CCC1=NN=N[N-]1)NC1=NC2=CC(C(F)(F)C(F)(F)F)=CC=C2N1	REAL300020216591	1	35	-1.0	-37.52	328.35	5.90	-31.62
O=C(CCC1=N[N-]N=N1)NC1=NC2=CC=C(C(F)(F)C(F)(F)F)C=C2N1	REAL300020216591	1	35	-1.0	-37.38	328.32	5.89	-31.49
CC(C)(C)OC(=O)NC12CC(NC(=O)CCC3=N[N-]N=N3)(C1)C2	REAL300020216592	0	44	-1.0	-48.06	359.56	0.78	-47.28
CC(C)(C)OC(=O)NC12CC(NC(=O)CCC3=NN=N[N-]3)(C1)C2	REAL300020216592	1	44	-1.0	-48.05	359.62	0.79	-47.26
O=C(CCC1=N[N-]N=N1)NC1=CC(OC2=CC=CC=C2)=CC=C1O	REAL300020216593	0	38	-1.0	-43.57	329.74	2.68	-40.89
O=C(CCC1=NN=N[N-]1)NC1=CC(OC2=CC=CC=C2)=CC=C1O	REAL300020216593	1	38	-1.0	-43.60	329.80	2.69	-40.91
C[C@@H]1CO[C@@H](C2=CC=CC=C2Cl)CN1C(=O)CCC1=N[N-]N=N1	REAL300020216594	0	40	-1.0	-40.75	334.67	5.36	-35.39
C[C@@H]1CO[C@@H](C2=CC=CC=C2Cl)CN1C(=O)CCC1=NN=N[N-]1	REAL300020216594	1	40	-1.0	-40.76	334.73	5.38	-35.38
CCOC1=CC=CC(N2CCC(NC(=O)CCC3=NN=N[N-]3)CC2)=N1	REAL300020216595	0	47	-1.0	-41.86	380.09	2.32	-39.54
CCOC1=CC=CC(N2CCC(NC(=O)CCC3=N[N-]N=N3)CC2)=N1	REAL300020216595	1	47	-1.0	-41.89	380.03	2.30	-39.59
O=C(CCC1=N[N-]N=N1)NC1=CC=CC(C(F)C(F)(F)F)=C1	REAL300020216596	0	32	-1.0	-40.06	295.69	4.35	-35.71
O=C(CCC1=NN=N[N-]1)NC1=CC=CC(C(F)C(F)(F)F)=C1	REAL300020216596	1	32	-1.0	-40.08	295.75	4.37	-35.71
O=C(CCC1=N[N-]N=N1)N1CCC2=C(C1)C(=O)C(Br)=CN2	REAL300020216597	0	33	-1.0	-56.02	298.64	3.21	-52.81
O=C(CCC1=NN=N[N-]1)N1CCC2=C(C1)C(=O)C(Br)=CN2	REAL300020216597	1	33	-1.0	-56.00	298.69	3.23	-52.77
O=C(CCC1=NN=N[N-]1)N1CCC(COC2=CC=C(C(F)(F)F)C=N2)CC1	REAL300020216598	0	45	-1.0	-41.38	382.06	4.51	-36.87
O=C(CCC1=N[N-]N=N1)N1CCC(COC2=CC=C(C(F)(F)F)C=N2)CC1	REAL300020216598	1	45	-1.0	-41.34	382.00	4.49	-36.85
CC(C)(C)OC(=O)N1CC(C)(NC(=O)CCC2=N[N-]N=N2)C1	REAL300020216599	0	43	-1.0	-42.74	347.98	1.75	-40.99
CC(C)(C)OC(=O)N1CC(C)(NC(=O)CCC2=NN=N[N-]2)C1	REAL300020216599	1	43	-1.0	-42.74	348.04	1.77	-40.97
CCOC(=O)C1=C(C)SC(CCNC(=O)CCC2=N[N-]N=N2)=N1	REAL300020216600	0	40	-1.0	-45.38	358.97	2.72	-42.66
CCOC(=O)C1=C(C)SC(CCNC(=O)CCC2=NN=N[N-]2)=N1	REAL300020216600	1	40	-1.0	-45.39	359.03	2.74	-42.65
CC1=CC(N2C=CC=N2)=CC=C1CNC(=O)CCC1=NN=N[N-]1	REAL300020216601	0	39	-1.0	-43.24	333.11	4.69	-38.55
CC1=CC(N2C=CC=N2)=CC=C1CNC(=O)CCC1=N[N-]N=N1	REAL300020216601	1	39	-1.0	-43.21	333.05	4.67	-38.54
CC1=C(CCNC(=O)CCC2=NN=N[N-]2)N=C(C2=CC=CC=C2)O1	REAL300020216602	0	41	-1.0	-45.69	356.41	2.67	-43.02
CC1=C(CCNC(=O)CCC2=N[N-]N=N2)N=C(C2=CC=CC=C2)O1	REAL300020216602	1	41	-1.0	-45.71	356.35	2.65	-43.06
CCOC(=O)C1=CC=C(NCCNC(=O)CCC2=NN=N[N-]2)N=C1	REAL300020216603	0	42	-1.0	-43.92	364.13	2.29	-41.63
CCOC(=O)C1=CC=C(NCCNC(=O)CCC2=N[N-]N=N2)N=C1	REAL300020216603	1	42	-1.0	-43.91	364.08	2.28	-41.63
CC1=CC(C(F)(C(F)(F)F)C(F)(F)F)=CC=C1NC(=O)CCC1=N[N-]N=N1	REAL300020216604	0	38	-1.0	-37.66	340.86	5.81	-31.85
CC1=CC(C(F)(C(F)(F)F)C(F)(F)F)=CC=C1NC(=O)CCC1=NN=N[N-]1	REAL300020216604	1	38	-1.0	-37.68	340.92	5.82	-31.86
O=C(CCC1=N[N-]N=N1)NC1(C(=O)N2CCOCC2)CCCCC1	REAL300020216605	0	47	-1.0	-47.02	350.71	2.89	-44.13
O=C(CCC1=NN=N[N-]1)NC1(C(=O)N2CCOCC2)CCCCC1	REAL300020216605	1	47	-1.0	-47.03	350.77	2.90	-44.13
CN1C(=O)OC2=CC(CNC(=O)CCC3=N[N-]N=N3)=CC=C21	REAL300020216606	0	35	-1.0	-45.80	311.75	2.66	-43.14
CN1C(=O)OC2=CC(CNC(=O)CCC3=NN=N[N-]3)=CC=C21	REAL300020216606	1	35	-1.0	-45.83	311.80	2.67	-43.16
O=C(CCC1=N[N-]N=N1)NCCC1=CC=C(N2CCOCC2)C(F)=C1	REAL300020216607	0	45	-1.0	-42.56	373.14	2.60	-39.96
O=C(CCC1=NN=N[N-]1)NCCC1=CC=C(N2CCOCC2)C(F)=C1	REAL300020216607	1	45	-1.0	-42.56	373.20	2.61	-39.95
CC(NC(=O)CCC1=N[N-]N=N1)C1=CC=C(C(F)(F)F)S1	REAL300020216608	0	32	-1.0	-38.45	307.35	3.81	-34.64
CC(NC(=O)CCC1=NN=N[N-]1)C1=CC=C(C(F)(F)F)S1	REAL300020216608	1	32	-1.0	-38.42	307.41	3.82	-34.60
O=C(CCC1=N[N-]N=N1)N1CCCCC1CCSC1=CC=C(Cl)C=C1	REAL300020216609	0	46	-1.0	-41.06	385.37	8.84	-32.22
O=C(CCC1=NN=N[N-]1)N1CCCCC1CCSC1=CC=C(Cl)C=C1	REAL300020216609	1	46	-1.0	-41.05	385.43	8.86	-32.19
CC(C)(CNC(=O)CCC1=N[N-]N=N1)CC1=CC=C(C(F)(F)F)C=C1	REAL300020216610	0	44	-1.0	-39.77	366.28	6.29	-33.48
CC(C)(CNC(=O)CCC1=NN=N[N-]1)CC1=CC=C(C(F)(F)F)C=C1	REAL300020216610	1	44	-1.0	-39.79	366.34	6.31	-33.48
O=C(CCC1=N[N-]N=N1)N(CCOCCO)CCC1=CC=CC=C1	REAL300020216611	0	46	-1.0	-42.50	381.86	3.53	-38.97
O=C(CCC1=NN=N[N-]1)N(CCOCCO)CCC1=CC=CC=C1	REAL300020216611	1	46	-1.0	-42.48	381.92	3.54	-38.94
O=C(CCC1=N[N-]N=N1)NC1=CC(C(F)(F)F)=C(Cl)C=C1F	REAL300020216612	0	29	-1.0	-37.30	289.26	4.10	-33.20
O=C(CCC1=NN=N[N-]1)NC1=CC(C(F)(F)F)=C(Cl)C=C1F	REAL300020216612	1	29	-1.0	-37.34	289.32	4.12	-33.22
CC(NC(=O)CCC1=N[N-]N=N1)C1=CSC(C(F)(F)F)=C1	REAL300020216613	0	32	-1.0	-39.14	306.34	3.68	-35.46
CC(NC(=O)CCC1=NN=N[N-]1)C1=CSC(C(F)(F)F)=C1	REAL300020216613	1	32	-1.0	-39.16	306.40	3.70	-35.46
CC(C)(C)OC(=O)N1CCC2(CN(C(=O)CCC3=N[N-]N=N3)C2)C1	REAL300020216614	0	47	-1.0	-47.78	376.37	4.13	-43.65
CC(C)(C)OC(=O)N1CCC2(CN(C(=O)CCC3=NN=N[N-]3)C2)C1	REAL300020216614	1	47	-1.0	-47.81	376.42	4.14	-43.67
CN1C(=O)CC2=CC(CNC(=O)CCC3=N[N-]N=N3)=CC=C21	REAL300020216615	0	37	-1.0	-42.99	320.40	3.12	-39.87
CN1C(=O)CC2=CC(CNC(=O)CCC3=NN=N[N-]3)=CC=C21	REAL300020216615	1	37	-1.0	-43.02	320.46	3.13	-39.89
COC(=O)C1=CC(NC(=O)CCC2=N[N-]N=N2)=CC2=C1OC1=CC=CC=C1O2	REAL300020216616	0	42	-1.0	-47.11	367.03	6.02	-41.09
COC(=O)C1=CC(NC(=O)CCC2=NN=N[N-]2)=CC2=C1OC1=CC=CC=C1O2	REAL300020216616	1	42	-1.0	-47.13	367.09	6.03	-41.10
CC12CC3CC(C)(C1)CC(NC(=O)CCC1=N[N-]N=N1)(C3)C2	REAL300020216617	0	46	-1.0	-39.58	333.60	4.99	-34.59
CC12CC3CC(C)(C1)CC(NC(=O)CCC1=NN=N[N-]1)(C3)C2	REAL300020216617	1	46	-1.0	-39.61	333.66	5.01	-34.60
O=C(CCC1=N[N-]N=N1)N1CCCCC1C(O)C(F)(F)F	REAL300020216618	0	36	-1.0	-39.31	291.57	2.51	-36.80
O=C(CCC1=NN=N[N-]1)N1CCCCC1C(O)C(F)(F)F	REAL300020216618	1	36	-1.0	-39.32	291.63	2.53	-36.79
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CC1=CC(CNC(=O)CCC2=N[N-]N=N2)=NC=C1Br	REAL300020216723	0	31	-1.0	-39.68	292.40	2.03	-37.65
CC1=CC(CNC(=O)CCC2=NN=N[N-]2)=NC=C1Br	REAL300020216723	1	31	-1.0	-39.66	292.46	2.04	-37.62
O=C(CCC1=N[N-]N=N1)N1CCN(CC2=NC(C(F)(F)F)=CS2)CC1	REAL300020216724	0	40	-1.0	-43.54	355.28	2.44	-41.10
O=C(CCC1=NN=N[N-]1)N1CCN(CC2=NC(C(F)(F)F)=CS2)CC1	REAL300020216724	1	40	-1.0	-43.52	355.33	2.45	-41.07
CCOC(=O)C1CCC(C(=O)OCC)N1C(=O)CCC1=N[N-]N=N1	REAL300020216725	0	44	-1.0	-52.46	363.83	6.17	-46.29
CCOC(=O)C1CCC(C(=O)OCC)N1C(=O)CCC1=NN=N[N-]1	REAL300020216725	1	44	-1.0	-52.46	363.89	6.19	-46.27
O=C(CCC1=N[N-]N=N1)NS1(=O)=CCOC2=CC=CC=C21	REAL300020216726	0	33	-1.0	-51.46	297.18	0.32	-51.14
O=C(CCC1=NN=N[N-]1)NS1(=O)=CCOC2=CC=CC=C21	REAL300020216726	1	33	-1.0	-51.45	297.24	0.34	-51.11
O=C(CCC1=N[N-]N=N1)N1CCOC2(CCS(=O)(=O)CC2)C1	REAL300020216727	0	40	-1.0	-46.13	318.87	0.15	-45.98
O=C(CCC1=NN=N[N-]1)N1CCOC2(CCS(=O)(=O)CC2)C1	REAL300020216727	1	40	-1.0	-46.16	318.92	0.16	-46.00
CC1=NC=CC(N[C@@H]2COCC[C@@H]2NC(=O)CCC2=N[N-]N=N2)=N1	REAL300020216728	0	43	-1.0	-42.06	350.57	1.35	-40.71
CC1=NC=CC(N[C@@H]2COCC[C@@H]2NC(=O)CCC2=NN=N[N-]2)=N1	REAL300020216728	1	43	-1.0	-42.11	350.63	1.36	-40.75
CC1=[NH+]C=CC(N[C@@H]2COCC[C@@H]2NC(=O)CCC2=NN=N[N-]2)=N1	REAL300020216728	1	44	0.0	-60.16	353.61	1.81	-58.35
O=C(CCC1=N[N-]N=N1)N1CCN(CC2=CC=CC=C2)CC(F)(F)C1	REAL300020216729	0	44	-1.0	-43.64	346.26	4.78	-38.86
O=C(CCC1=NN=N[N-]1)N1CCN(CC2=CC=CC=C2)CC(F)(F)C1	REAL300020216729	1	44	-1.0	-43.64	346.32	4.79	-38.85
O=C(CCC1=N[N-]N=N1)N1CCCC2=C(C=C(Br)O2)C1	REAL300020216730	0	33	-1.0	-42.14	294.11	4.62	-37.52
O=C(CCC1=NN=N[N-]1)N1CCCC2=C(C=C(Br)O2)C1	REAL300020216730	1	33	-1.0	-42.16	294.17	4.64	-37.52
O=C(CCC1=NN=N[N-]1)NC1=NC2=CC=C(Br)C=C2C=C1	REAL300020216731	0	31	-1.0	-45.85	295.37	5.03	-40.82
O=C(CCC1=N[N-]N=N1)NC1=NC2=CC=C(Br)C=C2C=C1	REAL300020216731	1	31	-1.0	-45.85	295.32	5.02	-40.83
O=C(CCC1=N[N-]N=N1)NCC1(OCCO)CCSC1	REAL300020216732	0	38	-1.0	-41.65	320.08	-1.25	-42.90
O=C(CCC1=NN=N[N-]1)NCC1(OCCO)CCSC1	REAL300020216732	1	38	-1.0	-41.66	320.14	-1.24	-42.90
CC1=CC(Br)=CC(C)=C1CCNC(=O)CCC1=N[N-]N=N1	REAL300020216733	0	38	-1.0	-40.11	333.47	5.09	-35.02
CC1=CC(Br)=CC(C)=C1CCNC(=O)CCC1=NN=N[N-]1	REAL300020216733	1	38	-1.0	-40.12	333.52	5.10	-35.02
COC(=O)C1CN(C(=O)CCC2=N[N-]N=N2)CC1NC(=O)OC(C)(C)C	REAL300020216734	0	49	-1.0	-44.59	399.37	2.56	-42.03
COC(=O)C1CN(C(=O)CCC2=NN=N[N-]2)CC1NC(=O)OC(C)(C)C	REAL300020216734	1	49	-1.0	-44.56	399.42	2.57	-41.99
CC(C)(C)OC(=O)NC1CC12CC(NC(=O)CCC1=N[N-]N=N1)C2	REAL300020216735	0	47	-1.0	-42.08	383.06	2.30	-39.78
CC(C)(C)OC(=O)NC1CC12CC(NC(=O)CCC1=NN=N[N-]1)C2	REAL300020216735	1	47	-1.0	-42.08	383.12	2.31	-39.77
COC(=O)CN1C=C(CCNC(=O)CCC2=N[N-]N=N2)N=N1	REAL300020216736	0	37	-1.0	-56.40	330.62	0.93	-55.47
COC(=O)CN1C=C(CCNC(=O)CCC2=NN=N[N-]2)N=N1	REAL300020216736	1	37	-1.0	-56.38	330.68	0.95	-55.43
O=C(CCC1=N[N-]N=N1)NC1=C2C=CC(C(F)(F)F)=NC2=NN1	REAL300020216737	0	31	-1.0	-43.43	292.23	2.76	-40.67
O=C(CCC1=NN=N[N-]1)NC1=C2C=CC(C(F)(F)F)=NC2=NN1	REAL300020216737	1	31	-1.0	-43.41	292.29	2.78	-40.63
CC(C)(C)OC(=O)N1CC(C)(NC(=O)CCC2=N[N-]N=N2)C1	REAL300020216738	0	43	-1.0	-42.74	347.98	1.75	-40.99
CC(C)(C)OC(=O)N1CC(C)(NC(=O)CCC2=NN=N[N-]2)C1	REAL300020216738	1	43	-1.0	-42.74	348.04	1.77	-40.97
CC1=CSC(N2CCN(C(=O)CCC3=N[N-]N=N3)CC2)=N1	REAL300020216739	0	37	-1.0	-40.32	314.08	2.51	-37.81
CC1=CSC(N2CCN(C(=O)CCC3=NN=N[N-]3)CC2)=N1	REAL300020216739	1	37	-1.0	-40.35	314.14	2.53	-37.82
O=C(CCC1=N[N-]N=N1)N1CCC2=NC=C(C(F)(F)F)C=C2C1	REAL300020216740	0	35	-1.0	-39.47	307.98	4.16	-35.31
O=C(CCC1=NN=N[N-]1)N1CCC2=NC=C(C(F)(F)F)C=C2C1	REAL300020216740	1	35	-1.0	-39.45	308.04	4.17	-35.28
O=C(CCC1=N[N-]N=N1)NCCC1=C(Br)N=CN1	REAL300020216741	0	29	-1.0	-45.91	279.69	1.46	-44.45
O=C(CCC1=NN=N[N-]1)NCCC1=C(Br)N=CN1	REAL300020216741	1	29	-1.0	-45.88	279.75	1.48	-44.40
CN(C)C1=NC=CC2=C1CN(C(=O)CCC1=N[N-]N=N1)CC2	REAL300020216742	0	40	-1.0	-41.75	325.10	3.82	-37.93
CN(C)C1=NC=CC2=C1CN(C(=O)CCC1=NN=N[N-]1)CC2	REAL300020216742	1	40	-1.0	-41.78	325.16	3.84	-37.94
CN(C)C1=[NH+]C=CC2=C1CN(C(=O)CCC1=NN=N[N-]1)CC2	REAL300020216742	1	41	0.0	-57.87	326.04	4.29	-53.58
CCC1=NN=C([C@@H]2C[C@@H](O)CN2C(=O)CCC2=N[N-]N=N2)N1	REAL300020216743	0	39	-1.0	-51.84	329.02	0.10	-51.74
CCC1=NN=C([C@@H]2C[C@@H](O)CN2C(=O)CCC2=NN=N[N-]2)N1	REAL300020216743	1	39	-1.0	-51.82	329.08	0.12	-51.70
COC(=O)CN1C=C(CCCNC(=O)CCC2=N[N-]N=N2)N=N1	REAL300020216744	0	40	-1.0	-54.26	352.12	1.70	-52.56
COC(=O)CN1C=C(CCCNC(=O)CCC2=NN=N[N-]2)N=N1	REAL300020216744	1	40	-1.0	-54.25	352.17	1.72	-52.53
O=C(CCC1=N[N-]N=N1)N1CC(C2=C3COCCC3=NN2)C1	REAL300020216745	0	38	-1.0	-43.44	318.89	1.37	-42.07
O=C(CCC1=NN=N[N-]1)N1CC(C2=C3COCCC3=NN2)C1	REAL300020216745	1	38	-1.0	-43.43	318.94	1.39	-42.04
CN(C)C1=NC=CC=C1O[C@H]1CCN(C(=O)CCC2=N[N-]N=N2)C1	REAL300020216746	0	44	-1.0	-42.22	356.44	3.53	-38.69
CN(C)C1=NC=CC=C1O[C@H]1CCN(C(=O)CCC2=NN=N[N-]2)C1	REAL300020216746	1	44	-1.0	-42.23	356.50	3.54	-38.69
CN(C)C1=[NH+]C=CC=C1O[C@H]1CCN(C(=O)CCC2=NN=N[N-]2)C1	REAL300020216746	1	45	0.0	-64.43	362.77	3.57	-60.86
CN1N=CC=C1CN1CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300020216747	0	41	-1.0	-42.43	330.12	1.62	-40.81
CN1N=CC=C1CN1CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020216747	1	41	-1.0	-42.43	330.18	1.63	-40.80
CC1=NN2C=CN=C(N3CC(NC(=O)CCC4=N[N-]N=N4)C3)C2=C1	REAL300020216748	0	40	-1.0	-44.87	341.49	2.46	-42.41
CC1=NN2C=CN=C(N3CC(NC(=O)CCC4=NN=N[N-]4)C3)C2=C1	REAL300020216748	1	40	-1.0	-44.90	341.54	2.47	-42.43
CC1=C(C2=CC=CC=N2)SC(NC(=O)CCC2=N[N-]N=N2)=N1	REAL300020216749	0	34	-1.0	-46.48	309.45	4.23	-42.25
CC1=C(C2=CC=CC=N2)SC(NC(=O)CCC2=NN=N[N-]2)=N1	REAL300020216749	1	34	-1.0	-46.48	309.51	4.25	-42.23
CN(CCC1=NC=C(Br)C=N1)C(=O)CCC1=N[N-]N=N1	REAL300020216750	0	33	-1.0	-41.69	308.52	3.38	-38.31
CN(CCC1=NC=C(Br)C=N1)C(=O)CCC1=NN=N[N-]1	REAL300020216750	1	33	-1.0	-41.67	308.58	3.39	-38.28
COC(=O)C1C2=CN=CN=C2CN1C(=O)CCC1=N[N-]N=N1	REAL300020216751	0	34	-1.0	-44.44	301.87	3.66	-40.78
COC(=O)C1C2=CN=CN=C2CN1C(=O)CCC1=NN=N[N-]1	REAL300020216751	1	34	-1.0	-44.45	301.93	3.68	-40.77
CCOC(=O)C(C)(NC(=O)CCC1=N[N-]N=N1)C(=O)OCC	REAL300020216752	0	40	-1.0	-42.01	343.83	3.11	-38.90
CCOC(=O)C(C)(NC(=O)CCC1=NN=N[N-]1)C(=O)OCC	REAL300020216752	1	40	-1.0	-42.08	343.89	3.13	-38.95
C[NH+]1CCN(C2=CC=C(NC(=O)CCC3=N[N-]N=N3)C3=CN=CC=C32)CC1	REAL300020216753	0	49	0.0	-68.05	383.99	4.79	-63.26
C[NH+]1CCN(C2=CC=C(NC(=O)CCC3=NN=N[N-]3)C3=CN=CC=C32)CC1	REAL300020216753	1	49	0.0	-68.06	384.05	4.81	-63.25
COCC1=NNC([C@@H]2CN(C(=O)CCC3=N[N-]N=N3)C[C@H]2C2CC2)=N1	REAL300020216754	0	46	-1.0	-42.67	375.88	3.61	-39.06
COCC1=NNC([C@@H]2CN(C(=O)CCC3=NN=N[N-]3)C[C@H]2C2CC2)=N1	REAL300020216754	1	46	-1.0	-42.66	375.93	3.63	-39.03
O=C(CCC1=NN=N[N-]1)NC1=CC=C(N2CCCS2(=O)=O)C=N1	REAL300020216755	0	37	-1.0	-53.75	325.61	0.85	-52.90
O=C(CCC1=N[N-]N=N1)NC1=CC=C(N2CCCS2(=O)=O)C=N1	REAL300020216755	1	37	-1.0	-53.79	325.56	0.83	-52.96
O=C(CCC1=N[N-]N=N1)NC1=CC(I)=CC([N+](=O)[O-])=C1	REAL300020216756	0	28	-1.0	-37.65	287.47	4.35	-33.30
O=C(CCC1=NN=N[N-]1)NC1=CC(I)=CC([N+](=O)[O-])=C1	REAL300020216756	1	28	-1.0	-37.63	287.53	4.37	-33.26
CC(C)(C)OC(=O)N1CCC(CNC(=O)CCC2=N[N-]N=N2)(C2CC2)C1	REAL300020216757	0	53	-1.0	-43.06	408.84	4.94	-38.12
CC(C)(C)OC(=O)N1CCC(CNC(=O)CCC2=NN=N[N-]2)(C2CC2)C1	REAL300020216757	1	53	-1.0	-43.04	408.90	4.95	-38.09
O=C(CCC1=N[N-]N=N1)NC1=CC=C(Br)C(Cl)=C1F	REAL300020216758	0	26	-1.0	-36.12	272.97	3.75	-32.37
O=C(CCC1=NN=N[N-]1)NC1=CC=C(Br)C(Cl)=C1F	REAL300020216758	1	26	-1.0	-36.12	273.03	3.77	-32.35
O=C(CCC1=N[N-]N=N1)N1CCCN(C2=CC=CC=N2)CC1	REAL300020216759	0	40	-1.0	-41.18	318.19	4.06	-37.12
O=C(CCC1=NN=N[N-]1)N1CCCN(C2=CC=CC=N2)CC1	REAL300020216759	1	40	-1.0	-41.16	318.25	4.07	-37.09
O=C(CCC1=N[N-]N=N1)N1CCCC1(CO)C1=CC=CC=C1	REAL300020216760	0	40	-1.0	-42.13	315.82	3.39	-38.74
O=C(CCC1=NN=N[N-]1)N1CCCC1(CO)C1=CC=CC=C1	REAL300020216760	1	40	-1.0	-42.15	315.88	3.40	-38.75
O=C(CCC1=N[N-]N=N1)N1CCCC1C1=CC=CC(C(F)(F)F)=C1F	REAL300020216761	0	39	-1.0	-40.63	340.22	7.17	-33.46
O=C(CCC1=NN=N[N-]1)N1CCCC1C1=CC=CC(C(F)(F)F)=C1F	REAL300020216761	1	39	-1.0	-40.60	340.28	7.18	-33.42
CCN(CC1=NC2=C(CC(C)CC2)S1)C(=O)CCC1=N[N-]N=N1	REAL300020216762	0	44	-1.0	-44.43	364.97	6.08	-38.35
CCN(CC1=NC2=C(CC(C)CC2)S1)C(=O)CCC1=NN=N[N-]1	REAL300020216762	1	44	-1.0	-44.42	365.03	6.10	-38.32
COC(=O)[C@]12CN(C(=O)CCC3=N[N-]N=N3)C[C@H]1C[N@H+](C)CC2	REAL300020216763	0	45	0.0	-74.06	349.93	4.62	-69.44
COC(=O)[C@]12CN(C(=O)CCC3=N[N-]N=N3)C[C@H]1C[N@@H+](C)CC2	REAL300020216763	1	45	0.0	-68.00	350.85	4.55	-63.45
COC(=O)[C@]12CN(C(=O)CCC3=NN=N[N-]3)C[C@H]1C[N@H+](C)CC2	REAL300020216763	1	45	0.0	-74.09	349.99	4.63	-69.46
COC(=O)[C@]12CN(C(=O)CCC3=NN=N[N-]3)C[C@H]1C[N@@H+](C)CC2	REAL300020216763	1	45	0.0	-67.99	350.90	4.56	-63.43
CNC1=CC=C(S(N)(=O)=O)C=C1NC(=O)CCC1=N[N-]N=N1	REAL300020216764	0	36	-1.0	-48.06	318.18	-3.38	-51.44
CNC1=CC=C(S(N)(=O)=O)C=C1NC(=O)CCC1=NN=N[N-]1	REAL300020216764	1	36	-1.0	-48.07	318.23	-3.36	-51.43
O=C(CCC1=N[N-]N=N1)NCC1CCN(C2=CC=C(F)C=C2F)C1	REAL300020216765	0	41	-1.0	-42.40	346.51	3.34	-39.06
O=C(CCC1=NN=N[N-]1)NCC1CCN(C2=CC=C(F)C=C2F)C1	REAL300020216765	1	41	-1.0	-42.40	346.57	3.36	-39.04
CC(C)(C)OC(=O)NCCN(CC1CC1)C(=O)CCC1=N[N-]N=N1	REAL300020216766	0	49	-1.0	-44.56	393.28	4.03	-40.53
CC(C)(C)OC(=O)NCCN(CC1CC1)C(=O)CCC1=NN=N[N-]1	REAL300020216766	1	49	-1.0	-44.54	393.34	4.05	-40.49
CS(=O)(=O)C1=CC(CNC(=O)CCC2=N[N-]N=N2)=CC=N1	REAL300020216767	0	34	-1.0	-48.19	314.25	-1.67	-49.86
CS(=O)(=O)C1=CC(CNC(=O)CCC2=NN=N[N-]2)=CC=N1	REAL300020216767	1	34	-1.0	-48.20	314.31	-1.65	-49.85
CN1C=NC2=C3CCCN(C(=O)CCC4=N[N-]N=N4)C3=CC=C21	REAL300020216768	0	39	-1.0	-44.85	316.88	6.58	-38.27
CN1C=NC2=C3CCCN(C(=O)CCC4=NN=N[N-]4)C3=CC=C21	REAL300020216768	1	39	-1.0	-44.85	316.93	6.60	-38.25
CON(CCNC(=O)OC(C)(C)C)C(=O)CCC1=N[N-]N=N1	REAL300020216769	0	43	-1.0	-44.33	354.93	1.28	-43.05
CON(CCNC(=O)OC(C)(C)C)C(=O)CCC1=NN=N[N-]1	REAL300020216769	1	43	-1.0	-44.34	354.98	1.29	-43.05
COC(=O)C1(NC(=O)OC(C)(C)C)CC(NC(=O)CCC2=N[N-]N=N2)C1	REAL300020216770	0	49	-1.0	-46.99	401.85	1.41	-45.58
COC(=O)C1(NC(=O)OC(C)(C)C)CC(NC(=O)CCC2=NN=N[N-]2)C1	REAL300020216770	1	49	-1.0	-47.00	401.91	1.43	-45.57
CC1=CC(C)=C(C(CO)NC(=O)CCC2=N[N-]N=N2)C(C)=C1	REAL300020216771	0	42	-1.0	-39.29	328.52	3.24	-36.05
CC1=CC(C)=C(C(CO)NC(=O)CCC2=NN=N[N-]2)C(C)=C1	REAL300020216771	1	42	-1.0	-39.32	328.58	3.25	-36.07
COC1=CC=C(C(O)CNC(=O)CCC2=N[N-]N=N2)C=C1OC	REAL300020216772	0	41	-1.0	-44.21	345.27	-0.41	-44.62
COC1=CC=C(C(O)CNC(=O)CCC2=NN=N[N-]2)C=C1OC	REAL300020216772	1	41	-1.0	-44.22	345.33	-0.40	-44.62
O=C(CCC1=N[N-]N=N1)NC[C@H]1CCCN1C1=CC=CC=C1	REAL300020216773	0	41	-1.0	-39.69	329.21	3.39	-36.30
O=C(CCC1=NN=N[N-]1)NC[C@H]1CCCN1C1=CC=CC=C1	REAL300020216773	1	41	-1.0	-39.71	329.26	3.40	-36.31
O=C(CCC1=N[N-]N=N1)NNC(=S)NCCC1=CC=C(Cl)C=C1Cl	REAL300020216774	0	38	-1.0	-44.07	371.06	5.50	-38.57
O=C(CCC1=NN=N[N-]1)NNC(=S)NCCC1=CC=C(Cl)C=C1Cl	REAL300020216774	1	38	-1.0	-44.07	371.12	5.51	-38.56
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CO[C@@H]1C[C@@H](CNC(=O)CCC2=N[N-]N=N2)[N@@H+](CC2=CC=CC=C2)C1	REAL300020216800	1	49	0.0	-58.89	384.68	4.24	-54.65
CO[C@@H]1C[C@@H](CNC(=O)CCC2=NN=N[N-]2)[N@H+](CC2=CC=CC=C2)C1	REAL300020216800	1	49	0.0	-60.14	387.90	4.91	-55.23
CO[C@@H]1C[C@@H](CNC(=O)CCC2=NN=N[N-]2)[N@@H+](CC2=CC=CC=C2)C1	REAL300020216800	1	49	0.0	-58.88	384.74	4.25	-54.63
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COC1=C(CNC(=O)CCC2=NN=N[N-]2)C2=NC=CC=C2C=C1	REAL300020216806	0	38	-1.0	-47.81	325.41	2.62	-45.19
COC1=C(CNC(=O)CCC2=N[N-]N=N2)C2=NC=CC=C2C=C1	REAL300020216806	1	38	-1.0	-47.80	325.35	2.60	-45.20
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CC(C)(C)OC(=O)CN1C=NC(NC(=O)CCC2=N[N-]N=N2)=C1	REAL300020216815	1	41	-1.0	-47.04	344.01	5.99	-41.05
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COC(=O)C(CC1=NC=CN1C)NC(=O)CCC1=NN=N[N-]1	REAL300020216817	1	38	-1.0	-48.35	333.83	2.85	-45.50
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O=C(CCC1=N[N-]N=N1)N1CCC(N2C=NC3=CC=CC=C3C2=O)CC1	REAL300020216824	1	44	-1.0	-44.54	357.02	6.20	-38.34
CC(C)(C)OC(=O)N1CC2(CN(C(=O)CCC3=N[N-]N=N3)C2)C1	REAL300020216825	0	44	-1.0	-47.18	361.50	3.40	-43.78
CC(C)(C)OC(=O)N1CC2(CN(C(=O)CCC3=NN=N[N-]3)C2)C1	REAL300020216825	1	44	-1.0	-47.19	361.56	3.42	-43.77
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COC1=CC(CCNC(=O)CCC2=N[N-]N=N2)=CC(OC)=C1	REAL300020216875	0	40	-1.0	-43.40	338.09	2.07	-41.33
COC1=CC(CCNC(=O)CCC2=NN=N[N-]2)=CC(OC)=C1	REAL300020216875	1	40	-1.0	-43.42	338.15	2.09	-41.33
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O=C(CCC1=NN=N[N-]1)NCC(CC1=CC=CC=C1)C1=CC=CC=N1	REAL300020216876	1	44	-1.0	-40.56	368.59	5.82	-34.74
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CCOC(=O)C1(C2(O)CN(C(=O)CCC3=N[N-]N=N3)C2)CCC1	REAL300020216878	0	43	-1.0	-41.96	348.01	2.05	-39.91
CCOC(=O)C1(C2(O)CN(C(=O)CCC3=NN=N[N-]3)C2)CCC1	REAL300020216878	1	43	-1.0	-41.99	348.07	2.06	-39.93
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CC(C)(O)CCN(CC1=CC=CC=C1)C(=O)CCC1=NN=N[N-]1	REAL300020216885	1	45	-1.0	-41.67	364.69	4.52	-37.15
O=C(CCC1=N[N-]N=N1)NC(C1=CC=CC=C1)C1(O)CCC1	REAL300020216886	0	40	-1.0	-39.82	326.74	2.26	-37.56
O=C(CCC1=NN=N[N-]1)NC(C1=CC=CC=C1)C1(O)CCC1	REAL300020216886	1	40	-1.0	-39.89	326.80	2.28	-37.61
O=C(CCC1=N[N-]N=N1)NCC1CC2=CC(Br)=CC=C2O1	REAL300020216887	0	34	-1.0	-40.46	314.50	3.25	-37.21
O=C(CCC1=NN=N[N-]1)NCC1CC2=CC(Br)=CC=C2O1	REAL300020216887	1	34	-1.0	-40.48	314.56	3.26	-37.22
COCCOCCOCCC1CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300020216888	0	53	-1.0	-43.85	419.02	3.70	-40.15
COCCOCCOCCC1CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020216888	1	53	-1.0	-43.86	419.08	3.72	-40.14
CC(C)(C)OC(=O)NC1(C2=CC=CC=C2)CCN(C(=O)CCC2=N[N-]N=N2)C1	REAL300020216889	0	53	-1.0	-41.01	413.53	5.26	-35.75
CC(C)(C)OC(=O)NC1(C2=CC=CC=C2)CCN(C(=O)CCC2=NN=N[N-]2)C1	REAL300020216889	1	53	-1.0	-41.01	413.59	5.28	-35.73
CC(C)(C)OC(=O)NC1CN(C(=O)CCC2=N[N-]N=N2)CC12CCOCC2	REAL300020216890	0	54	-1.0	-42.91	412.21	2.64	-40.27
CC(C)(C)OC(=O)NC1CN(C(=O)CCC2=NN=N[N-]2)CC12CCOCC2	REAL300020216890	1	54	-1.0	-42.92	412.27	2.66	-40.26
COC1=C(F)C=CC=C1CC1CCCN1C(=O)CCC1=N[N-]N=N1	REAL300020216891	0	43	-1.0	-40.28	350.69	6.06	-34.22
COC1=C(F)C=CC=C1CC1CCCN1C(=O)CCC1=NN=N[N-]1	REAL300020216891	1	43	-1.0	-40.28	350.74	6.08	-34.20
COC1=CC=C2C(=C1)CCN(C(=O)CCC1=N[N-]N=N1)C2C	REAL300020216892	0	40	-1.0	-41.06	322.31	4.99	-36.07
COC1=CC=C2C(=C1)CCN(C(=O)CCC1=NN=N[N-]1)C2C	REAL300020216892	1	40	-1.0	-41.04	322.37	5.01	-36.03
CC(=O)N1CCC2(CC1)C1=C(CCN2C(=O)CCC2=N[N-]N=N2)NC=N1	REAL300020216893	0	47	-1.0	-51.52	352.72	3.80	-47.72
CC(=O)N1CCC2(CC1)C1=C(CCN2C(=O)CCC2=NN=N[N-]2)NC=N1	REAL300020216893	1	47	-1.0	-51.53	352.78	3.81	-47.72
CC(=O)N1CCC2(CC1)C1=C(CCN2C(=O)CCC2=N[N-]N=N2)N=CN1	REAL300020216893	1	47	-1.0	-49.55	354.31	3.85	-45.70
CC(C)(C)C(=O)C1=CC=CC(NC(=O)CCC2=N[N-]N=N2)=C1	REAL300020216894	0	40	-1.0	-49.91	324.24	4.63	-45.28
CC(C)(C)C(=O)C1=CC=CC(NC(=O)CCC2=NN=N[N-]2)=C1	REAL300020216894	1	40	-1.0	-49.92	324.30	4.65	-45.27
O=C(CCC1=N[N-]N=N1)N1CCC2=CC(OCC3=CC=CC=C3)=CC=C2C1	REAL300020216895	0	47	-1.0	-41.53	385.25	8.26	-33.27
O=C(CCC1=NN=N[N-]1)N1CCC2=CC(OCC3=CC=CC=C3)=CC=C2C1	REAL300020216895	1	47	-1.0	-41.55	385.31	8.28	-33.27
O=C(CCC1=N[N-]N=N1)NCC1(C2=CC=CC=C2)CC(F)(F)C1	REAL300020216896	0	39	-1.0	-40.84	330.88	5.27	-35.57
O=C(CCC1=NN=N[N-]1)NCC1(C2=CC=CC=C2)CC(F)(F)C1	REAL300020216896	1	39	-1.0	-40.84	330.94	5.28	-35.56
CC(C)(C)OC(=O)N1CCCC1C1CCN(C(=O)CCC2=N[N-]N=N2)C1	REAL300020216897	0	53	-1.0	-46.60	405.22	5.85	-40.75
CC(C)(C)OC(=O)N1CCCC1C1CCN(C(=O)CCC2=NN=N[N-]2)C1	REAL300020216897	1	53	-1.0	-46.61	405.28	5.87	-40.74
COC1=CC=C(C[C@@H]2CCCN2C(=O)CCC2=N[N-]N=N2)C=C1OC	REAL300020216898	0	47	-1.0	-44.89	375.14	5.59	-39.30
COC1=CC=C(C[C@@H]2CCCN2C(=O)CCC2=NN=N[N-]2)C=C1OC	REAL300020216898	1	47	-1.0	-44.90	375.20	5.60	-39.30
CC(C)(C)C1=CC=CC=C1OC1=NC=CC=C1NC(=O)CCC1=NN=N[N-]1	REAL300020216899	0	48	-1.0	-40.56	383.41	5.29	-35.27
CC(C)(C)C1=CC=CC=C1OC1=NC=CC=C1NC(=O)CCC1=N[N-]N=N1	REAL300020216899	1	48	-1.0	-40.58	383.36	5.28	-35.30
O=C(CCC1=N[N-]N=N1)NCC1=C(Cl)C=NC=C1Cl	REAL300020216900	0	28	-1.0	-38.71	281.05	1.74	-36.97
O=C(CCC1=NN=N[N-]1)NCC1=C(Cl)C=NC=C1Cl	REAL300020216900	1	28	-1.0	-38.70	281.11	1.76	-36.94
O=C(CCC1=N[N-]N=N1)NC1(C(=O)N2CCOCC2)CCCCC1	REAL300020216901	0	47	-1.0	-47.02	350.71	2.89	-44.13
O=C(CCC1=NN=N[N-]1)NC1(C(=O)N2CCOCC2)CCCCC1	REAL300020216901	1	47	-1.0	-47.03	350.77	2.90	-44.13
O=C(CCC1=N[N-]N=N1)NC1=NC=C(C(=O)C2CCOCC2)S1	REAL300020216902	0	38	-1.0	-45.73	335.17	2.70	-43.03
O=C(CCC1=NN=N[N-]1)NC1=NC=C(C(=O)C2CCOCC2)S1	REAL300020216902	1	38	-1.0	-45.76	335.23	2.72	-43.04
O=C(CCC1=N[N-]N=N1)N1CCC(CCN2CCCS2(=O)=O)CC1	REAL300020216903	0	47	-1.0	-49.41	378.04	2.43	-46.98
O=C(CCC1=NN=N[N-]1)N1CCC(CCN2CCCS2(=O)=O)CC1	REAL300020216903	1	47	-1.0	-49.39	378.09	2.44	-46.95
CC(C)(C)OC(=O)N1CC(NC(=O)CCC2=N[N-]N=N2)C2(C1)CCOCC2	REAL300020216904	0	54	-1.0	-42.11	412.25	2.88	-39.23
CC(C)(C)OC(=O)N1CC(NC(=O)CCC2=NN=N[N-]2)C2(C1)CCOCC2	REAL300020216904	1	54	-1.0	-42.10	412.30	2.89	-39.21
CC(C)(C)OC(=O)N[C@@H]1CCOC[C@@H]1NC(=O)CCC1=N[N-]N=N1	REAL300020216905	0	47	-1.0	-40.86	372.45	0.27	-40.59
CC(C)(C)OC(=O)N[C@@H]1CCOC[C@@H]1NC(=O)CCC1=NN=N[N-]1	REAL300020216905	1	47	-1.0	-40.86	372.51	0.28	-40.58
CC(C)(C)OC(=O)N1CCCC2(NC(=O)CCC3=N[N-]N=N3)CC2C1	REAL300020216906	0	50	-1.0	-42.68	387.38	4.38	-38.30
CC(C)(C)OC(=O)N1CCCC2(NC(=O)CCC3=NN=N[N-]3)CC2C1	REAL300020216906	1	50	-1.0	-42.67	387.44	4.40	-38.27
CN1C(=O)C[C@H](NC(=O)CCC2=N[N-]N=N2)[C@H]1C1=CC=C(Cl)C=C1	REAL300020216907	0	40	-1.0	-43.67	354.70	4.24	-39.43
CN1C(=O)C[C@H](NC(=O)CCC2=NN=N[N-]2)[C@H]1C1=CC=C(Cl)C=C1	REAL300020216907	1	40	-1.0	-43.69	354.76	4.25	-39.44
COCC1(C(=O)OC(C)(C)C)CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300020216908	0	51	-1.0	-41.64	388.77	5.49	-36.15
COCC1(C(=O)OC(C)(C)C)CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020216908	1	51	-1.0	-41.66	388.83	5.50	-36.16
CC(C)(C)OC(=O)C12CC(NC(=O)CCC3=N[N-]N=N3)(C1)C2	REAL300020216909	0	42	-1.0	-40.59	344.74	4.07	-36.52
CC(C)(C)OC(=O)C12CC(NC(=O)CCC3=NN=N[N-]3)(C1)C2	REAL300020216909	1	42	-1.0	-40.63	344.80	4.08	-36.55
CC(C)(C)OC(=O)N1CCC2(CCCCN2C(=O)CCC2=N[N-]N=N2)CC1	REAL300020216910	0	56	-1.0	-42.18	402.20	6.27	-35.91
CC(C)(C)OC(=O)N1CCC2(CCCCN2C(=O)CCC2=NN=N[N-]2)CC1	REAL300020216910	1	56	-1.0	-42.14	402.25	6.29	-35.85
CN1C2=CC=C(Br)C=C2N=C1NC(=O)CCC1=NN=N[N-]1	REAL300020216911	0	32	-1.0	-47.44	301.84	6.36	-41.08
CN1C2=CC=C(Br)C=C2N=C1NC(=O)CCC1=N[N-]N=N1	REAL300020216911	1	32	-1.0	-47.44	301.78	6.35	-41.09
O=C(CCC1=N[N-]N=N1)NC1=NC=C(C(=O)C2CCOC2)S1	REAL300020216912	0	35	-1.0	-46.35	316.04	1.88	-44.47
O=C(CCC1=NN=N[N-]1)NC1=NC=C(C(=O)C2CCOC2)S1	REAL300020216912	1	35	-1.0	-46.34	316.10	1.90	-44.44
O=C(CCC1=N[N-]N=N1)NC1=NC=C(C(=O)C2CCCOC2)S1	REAL300020216913	0	38	-1.0	-43.98	335.01	2.70	-41.28
O=C(CCC1=NN=N[N-]1)NC1=NC=C(C(=O)C2CCCOC2)S1	REAL300020216913	1	38	-1.0	-43.98	335.07	2.72	-41.26
CS(C)(=O)=NC(=O)C1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1	REAL300020216914	0	38	-1.0	-58.26	339.58	0.89	-57.37
CS(C)(=O)=NC(=O)C1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1	REAL300020216914	1	38	-1.0	-58.24	339.64	0.90	-57.34
CS(C)(=O)=NC(=O)C1=CC=CC=C1NC(=O)CCC1=N[N-]N=N1	REAL300020216915	0	38	-1.0	-60.68	335.41	1.27	-59.41
CS(C)(=O)=NC(=O)C1=CC=CC=C1NC(=O)CCC1=NN=N[N-]1	REAL300020216915	1	38	-1.0	-60.72	335.47	1.28	-59.44
CS(C)(=O)=NC1=CC=CC=C1NC(=O)CCC1=N[N-]N=N1	REAL300020216916	0	36	-1.0	-54.46	311.21	1.09	-53.37
CS(C)(=O)=NC1=CC=CC=C1NC(=O)CCC1=NN=N[N-]1	REAL300020216916	1	36	-1.0	-54.50	311.27	1.11	-53.39
CCOC(=O)C1C(C)CC(C)N(C(=O)CCC2=N[N-]N=N2)C1C	REAL300020216917	0	47	-1.0	-39.12	350.26	5.83	-33.29
CCOC(=O)C1C(C)CC(C)N(C(=O)CCC2=NN=N[N-]2)C1C	REAL300020216917	1	47	-1.0	-39.09	350.32	5.85	-33.24
O=C(CCC1=N[N-]N=N1)N1CC[C@H]2C[C@H](C3=CC=CC=C3)[C@H]2C1	REAL300020216918	0	43	-1.0	-41.58	336.10	7.33	-34.25
O=C(CCC1=NN=N[N-]1)N1CC[C@H]2C[C@H](C3=CC=CC=C3)[C@H]2C1	REAL300020216918	1	43	-1.0	-41.57	336.16	7.35	-34.22
CC(C)(C)OC(=O)NCC1CCN1C(=O)CCC1=N[N-]N=N1	REAL300020216919	0	43	-1.0	-47.88	350.31	1.67	-46.21
CC(C)(C)OC(=O)NCC1CCN1C(=O)CCC1=NN=N[N-]1	REAL300020216919	1	43	-1.0	-47.86	350.37	1.69	-46.17
O=C(CCC1=N[N-]N=N1)N1CC(N2CCCS2(=O)=O)C1	REAL300020216920	0	35	-1.0	-50.68	304.84	-0.62	-51.30
O=C(CCC1=NN=N[N-]1)N1CC(N2CCCS2(=O)=O)C1	REAL300020216920	1	35	-1.0	-50.65	304.90	-0.61	-51.26
O=C(CCC1=NN=N[N-]1)N1CC(N2C=NC3=CC=CC=C3C2=O)C1	REAL300020216921	0	38	-1.0	-46.68	326.70	4.56	-42.12
O=C(CCC1=N[N-]N=N1)N1CC(N2C=NC3=CC=CC=C3C2=O)C1	REAL300020216921	1	38	-1.0	-46.72	326.64	4.54	-42.18
O=C(CCC1=N[N-]N=N1)N1CC(C(=O)C2=CC=C(F)C=C2)C1	REAL300020216922	0	35	-1.0	-43.15	311.35	4.84	-38.31
O=C(CCC1=NN=N[N-]1)N1CC(C(=O)C2=CC=C(F)C=C2)C1	REAL300020216922	1	35	-1.0	-43.15	311.41	4.85	-38.30
O=C(CCC1=NN=N[N-]1)N1CC(N2C=C(Br)C=N2)C1	REAL300020216923	0	30	-1.0	-41.05	286.16	2.58	-38.47
O=C(CCC1=N[N-]N=N1)N1CC(N2C=C(Br)C=N2)C1	REAL300020216923	1	30	-1.0	-41.05	286.11	2.57	-38.48
CN1C(=O)C[C@H](NC(=O)CCC2=N[N-]N=N2)[C@H]1C1=CC=C(Cl)C(F)=C1	REAL300020216924	0	40	-1.0	-44.23	357.98	4.13	-40.10
CN1C(=O)C[C@H](NC(=O)CCC2=NN=N[N-]2)[C@H]1C1=CC=C(Cl)C(F)=C1	REAL300020216924	1	40	-1.0	-44.26	358.04	4.15	-40.11
C[NH+]1CC23CN(C(=O)CCC4=N[N-]N=N4)CC2(C1)CCCC3	REAL300020216925	0	46	0.0	-58.53	338.30	5.31	-53.22
C[NH+]1CC23CN(C(=O)CCC4=NN=N[N-]4)CC2(C1)CCCC3	REAL300020216925	1	46	0.0	-58.57	338.36	5.33	-53.24
O=C(CCC1=N[N-]N=N1)NC[C@@H]1CCCN1C1=CC=CC=C1	REAL300020216926	0	41	-1.0	-39.09	318.99	3.62	-35.47
O=C(CCC1=NN=N[N-]1)NC[C@@H]1CCCN1C1=CC=CC=C1	REAL300020216926	1	41	-1.0	-39.11	319.05	3.64	-35.47
O=C(CCC1=NN=N[N-]1)NC1=CC=CC=C1C1=NC=CS1	REAL300020216927	0	32	-1.0	-42.04	291.48	4.31	-37.73
O=C(CCC1=N[N-]N=N1)NC1=CC=CC=C1C1=NC=CS1	REAL300020216927	1	32	-1.0	-42.04	291.43	4.30	-37.74
CC1=NN=C(C2CCN(C(=O)CCC3=N[N-]N=N3)CC2)S1	REAL300020216928	0	37	-1.0	-46.70	317.28	3.19	-43.51
CC1=NN=C(C2CCN(C(=O)CCC3=NN=N[N-]3)CC2)S1	REAL300020216928	1	37	-1.0	-46.69	317.34	3.21	-43.48
O=C(CCC1=N[N-]N=N1)N1CC(C2=NC=CC(C(F)(F)F)=N2)C1	REAL300020216929	0	34	-1.0	-43.30	314.59	3.31	-39.99
O=C(CCC1=NN=N[N-]1)N1CC(C2=NC=CC(C(F)(F)F)=N2)C1	REAL300020216929	1	34	-1.0	-43.36	314.65	3.32	-40.04
CC1(C)OC[C@@H]([C@H]2COCCN2C(=O)CCC2=N[N-]N=N2)O1	REAL300020216930	0	42	-1.0	-40.36	324.61	2.15	-38.21
CC1(C)OC[C@@H]([C@H]2COCCN2C(=O)CCC2=NN=N[N-]2)O1	REAL300020216930	1	42	-1.0	-40.43	324.67	2.16	-38.27
CN(C(=O)CCC1=N[N-]N=N1)C1=CC(Br)=CC(C(F)(F)F)=C1	REAL300020216931	0	32	-1.0	-37.93	314.01	5.92	-32.01
CN(C(=O)CCC1=NN=N[N-]1)C1=CC(Br)=CC(C(F)(F)F)=C1	REAL300020216931	1	32	-1.0	-37.91	314.07	5.93	-31.98
COC(=O)C1=CN=C(C2CCCN2C(=O)CCC2=N[N-]N=N2)N=C1	REAL300020216932	0	40	-1.0	-44.93	345.49	3.49	-41.44
COC(=O)C1=CN=C(C2CCCN2C(=O)CCC2=NN=N[N-]2)N=C1	REAL300020216932	1	40	-1.0	-44.91	345.55	3.51	-41.40
CC1CN(C(=O)CCC2=N[N-]N=N2)C2=CC(S(N)(=O)=O)=CC=C21	REAL300020216933	0	38	-1.0	-51.74	326.77	0.06	-51.68
CC1CN(C(=O)CCC2=NN=N[N-]2)C2=CC(S(N)(=O)=O)=CC=C21	REAL300020216933	1	38	-1.0	-51.76	326.83	0.07	-51.69
O=C(CCC1=N[N-]N=N1)NC1=CC=C(F)C(I)=C1F	REAL300020216934	0	26	-1.0	-36.21	269.85	3.79	-32.42
O=C(CCC1=NN=N[N-]1)NC1=CC=C(F)C(I)=C1F	REAL300020216934	1	26	-1.0	-36.22	269.90	3.81	-32.41
CCN(CCN(CC)C(=O)OC(C)(C)C)C(=O)CCC1=N[N-]N=N1	REAL300020216935	0	51	-1.0	-48.91	399.95	6.02	-42.89
CCN(CCN(CC)C(=O)OC(C)(C)C)C(=O)CCC1=NN=N[N-]1	REAL300020216935	1	51	-1.0	-48.97	400.00	6.03	-42.94
O=C(CCC1=N[N-]N=N1)N1CCCCC1CCC(F)(F)F	REAL300020216936	0	38	-1.0	-41.50	308.08	5.23	-36.27
O=C(CCC1=NN=N[N-]1)N1CCCCC1CCC(F)(F)F	REAL300020216936	1	38	-1.0	-41.51	308.13	5.25	-36.26
CN(C)C1=NC=C2CN(C(=O)CCC3=N[N-]N=N3)CCC2=N1	REAL300020216937	0	39	-1.0	-42.23	319.82	5.52	-36.71
CN(C)C1=NC=C2CN(C(=O)CCC3=NN=N[N-]3)CCC2=N1	REAL300020216937	1	39	-1.0	-42.22	319.88	5.53	-36.69
O=C(CCC1=N[N-]N=N1)NCCNC(=O)OCC1=CC=CC=C1	REAL300020216938	0	40	-1.0	-43.08	351.08	1.40	-41.68
O=C(CCC1=NN=N[N-]1)NCCNC(=O)OCC1=CC=CC=C1	REAL300020216938	1	40	-1.0	-43.09	351.13	1.42	-41.67
O=C(CCC1=N[N-]N=N1)N1CCCCC1CC1=CC(F)=CC=C1F	REAL300020216939	0	42	-1.0	-39.66	336.09	7.03	-32.63
O=C(CCC1=NN=N[N-]1)N1CCCCC1CC1=CC(F)=CC=C1F	REAL300020216939	1	42	-1.0	-39.66	336.14	7.04	-32.62
O=C(CCC1=N[N-]N=N1)NNC(=O)NC1=CC=CC2=CC=CC=C21	REAL300020216940	0	38	-1.0	-42.62	325.13	3.33	-39.29
O=C(CCC1=NN=N[N-]1)NNC(=O)NC1=CC=CC2=CC=CC=C21	REAL300020216940	1	38	-1.0	-42.64	325.19	3.35	-39.29
CC1=CC(C)=NN1C1CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300020216941	0	42	-1.0	-45.31	338.57	4.78	-40.53
CC1=CC(C)=NN1C1CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020216941	1	42	-1.0	-45.30	338.63	4.79	-40.51
O=C(CCC1=NN=N[N-]1)N1CCN(C2=NC(C(F)(F)F)=CS2)CC1	REAL300020216942	0	37	-1.0	-40.95	332.96	2.95	-38.00
O=C(CCC1=N[N-]N=N1)N1CCN(C2=NC(C(F)(F)F)=CS2)CC1	REAL300020216942	1	37	-1.0	-41.00	332.90	2.93	-38.07
CC(NC(=O)CCC1=N[N-]N=N1)C1=NC2=C(CC(C)CC2)S1	REAL300020216943	0	41	-1.0	-39.32	346.95	3.90	-35.42
CC(NC(=O)CCC1=NN=N[N-]1)C1=NC2=C(CC(C)CC2)S1	REAL300020216943	1	41	-1.0	-39.30	347.01	3.91	-35.39
O=C(CCC1=N[N-]N=N1)N[N-]C(=O)C1=NNC2=CC=CC=C21	REAL300020216944	0	32	-2.0	-101.36	297.33	-0.66	-102.02
O=C(CCC1=NN=N[N-]1)N[N-]C(=O)C1=NNC2=CC=CC=C21	REAL300020216944	1	32	-2.0	-101.36	297.39	-0.64	-102.00
CC1=CC=CC(NNC(=O)CCC2=N[N-]N=N2)=C1Br	REAL300020216945	0	31	-1.0	-39.82	285.07	3.42	-36.40
CC1=CC=CC(NNC(=O)CCC2=NN=N[N-]2)=C1Br	REAL300020216945	1	31	-1.0	-39.82	285.13	3.44	-36.38
CC(C)(C)OC(=O)N1CCC2=CC=NC(NC(=O)CCC3=N[N-]N=N3)=C2C1	REAL300020216946	0	49	-1.0	-48.43	390.57	5.55	-42.88
CC(C)(C)OC(=O)N1CCC2=CC=NC(NC(=O)CCC3=NN=N[N-]3)=C2C1	REAL300020216946	1	49	-1.0	-48.48	390.62	5.57	-42.91
CCOC(=O)C(NC(=O)CCC1=N[N-]N=N1)C1=CNC2=CC=CC=C12	REAL300020216947	0	42	-1.0	-46.04	363.00	4.74	-41.30
CCOC(=O)C(NC(=O)CCC1=NN=N[N-]1)C1=CNC2=CC=CC=C12	REAL300020216947	1	42	-1.0	-46.07	363.05	4.75	-41.32
CC1(C)CN(C2=CC=C(F)C=C2)CCN1C(=O)CCC1=N[N-]N=N1	REAL300020216948	0	44	-1.0	-39.10	342.88	5.29	-33.81
CC1(C)CN(C2=CC=C(F)C=C2)CCN1C(=O)CCC1=NN=N[N-]1	REAL300020216948	1	44	-1.0	-39.10	342.95	5.31	-33.79
O=C(CCC1=N[N-]N=N1)N1CCC(=CC2=CC=CS2)CC1	REAL300020216949	0	37	-1.0	-39.64	312.02	5.86	-33.78
O=C(CCC1=NN=N[N-]1)N1CCC(=CC2=CC=CS2)CC1	REAL300020216949	1	37	-1.0	-39.68	312.08	5.88	-33.80
O=C(CCC1=N[N-]N=N1)NNC1=CC=CC(Br)=C1F	REAL300020216950	0	28	-1.0	-40.32	274.47	2.87	-37.45
O=C(CCC1=NN=N[N-]1)NNC1=CC=CC(Br)=C1F	REAL300020216950	1	28	-1.0	-40.32	274.53	2.89	-37.43
CN(CC1=CC=CC=C1N1C=CC=C1)C(=O)CCC1=N[N-]N=N1	REAL300020216951	0	40	-1.0	-40.29	333.28	8.18	-32.11
CN(CC1=CC=CC=C1N1C=CC=C1)C(=O)CCC1=NN=N[N-]1	REAL300020216951	1	40	-1.0	-40.28	333.33	8.19	-32.09
CC1=NC=C(NC(=O)CCC2=N[N-]N=N2)C=C1Br	REAL300020216952	0	28	-1.0	-39.32	266.38	1.95	-37.37
CC1=NC=C(NC(=O)CCC2=NN=N[N-]2)C=C1Br	REAL300020216952	1	28	-1.0	-39.33	266.44	1.96	-37.37
O=C(CCC1=N[N-]N=N1)NCC1=C2CCCCC2=NNC1=O	REAL300020216953	0	38	-1.0	-45.07	314.87	0.50	-44.57
O=C(CCC1=NN=N[N-]1)NCC1=C2CCCCC2=NNC1=O	REAL300020216953	1	38	-1.0	-45.09	314.93	0.52	-44.57
CC(C)(C)C1=CC=C(C2(CNC(=O)CCC3=N[N-]N=N3)CC2)C=C1	REAL300020216954	0	48	-1.0	-39.73	377.18	6.84	-32.89
CC(C)(C)C1=CC=C(C2(CNC(=O)CCC3=NN=N[N-]3)CC2)C=C1	REAL300020216954	1	48	-1.0	-39.75	377.24	6.85	-32.90
C[C@@H]1CCN(C(=O)CCC2=N[N-]N=N2)C[C@@H]1[N-]C(=O)C(F)(F)F	REAL300020216955	0	38	-2.0	-89.21	326.34	1.20	-88.01
C[C@@H]1CCN(C(=O)CCC2=N[N-]N=N2)C[C@@H]1NC(=O)C(F)(F)F	REAL300020216955	1	39	-1.0	-43.45	330.44	2.59	-40.86
C[C@@H]1CCN(C(=O)CCC2=NN=N[N-]2)C[C@@H]1NC(=O)C(F)(F)F	REAL300020216955	1	39	-1.0	-43.42	330.50	2.61	-40.81
C[C@@H]1CCN(C(=O)CCC2=NN=N[N-]2)C[C@@H]1[N-]C(=O)C(F)(F)F	REAL300020216955	1	38	-2.0	-89.21	326.40	1.21	-88.00
CN(CCCCC1=CC=CC(Br)=C1)C(=O)CCC1=N[N-]N=N1	REAL300020216956	0	41	-1.0	-41.65	361.47	7.77	-33.88
CN(CCCCC1=CC=CC(Br)=C1)C(=O)CCC1=NN=N[N-]1	REAL300020216956	1	41	-1.0	-41.65	361.53	7.78	-33.87
O=C(CCC1=N[N-]N=N1)NC1=CC(F)=CC(Br)=C1	REAL300020216957	0	26	-1.0	-38.38	259.50	3.26	-35.12
O=C(CCC1=NN=N[N-]1)NC1=CC(F)=CC(Br)=C1	REAL300020216957	1	26	-1.0	-38.37	259.55	3.28	-35.09
CC1(C)OC(=O)C2=CC(NC(=O)CCC3=N[N-]N=N3)=CC=C21	REAL300020216958	0	36	-1.0	-42.73	312.08	4.27	-38.46
CC1(C)OC(=O)C2=CC(NC(=O)CCC3=NN=N[N-]3)=CC=C21	REAL300020216958	1	36	-1.0	-42.74	312.13	4.28	-38.46
O=C(CCC1=NN=N[N-]1)NC1=CC=C(OC2=CC=NC=N2)C=C1	REAL300020216959	0	35	-1.0	-43.15	312.96	2.76	-40.39
O=C(CCC1=N[N-]N=N1)NC1=CC=C(OC2=CC=NC=N2)C=C1	REAL300020216959	1	35	-1.0	-43.14	312.90	2.75	-40.39
COC1=CC=CC=C1S(C)(=O)=NC(=O)CCC1=N[N-]N=N1	REAL300020216960	0	35	-1.0	-54.19	311.21	1.98	-52.21
COC1=CC=CC=C1S(C)(=O)=NC(=O)CCC1=NN=N[N-]1	REAL300020216960	1	35	-1.0	-54.20	311.27	1.99	-52.21
CCOC(=O)C1=C(C2CCN(C(=O)CCC3=NN=N[N-]3)CC2)OC=N1	REAL300020216961	0	44	-1.0	-44.04	365.73	2.67	-41.37
CCOC(=O)C1=C(C2CCN(C(=O)CCC3=N[N-]N=N3)CC2)OC=N1	REAL300020216961	1	44	-1.0	-44.05	365.67	2.66	-41.39
CC1=NN(C2=CC=CC=C2C)C(C)=C1CNC(=O)CCC1=N[N-]N=N1	REAL300020216962	0	45	-1.0	-42.50	372.91	5.69	-36.81
CC1=NN(C2=CC=CC=C2C)C(C)=C1CNC(=O)CCC1=NN=N[N-]1	REAL300020216962	1	45	-1.0	-42.50	372.96	5.70	-36.80
O=C(CCC1=N[N-]N=N1)N1CCN(C2=C3N=CNC3=CC=C2)CC1	REAL300020216963	0	41	-1.0	-45.43	334.09	3.60	-41.83
O=C(CCC1=NN=N[N-]1)N1CCN(C2=C3N=CNC3=CC=C2)CC1	REAL300020216963	1	41	-1.0	-45.46	334.15	3.61	-41.85
CCOC(=O)C1=C(NC(=O)CCC2=N[N-]N=N2)C2=C(F)C=CC=C2N1C	REAL300020216964	0	42	-1.0	-48.25	356.01	5.93	-42.32
CCOC(=O)C1=C(NC(=O)CCC2=NN=N[N-]2)C2=C(F)C=CC=C2N1C	REAL300020216964	1	42	-1.0	-48.29	356.06	5.94	-42.35
CC1=NC2=C3CCCN(C(=O)CCC4=N[N-]N=N4)C3=CC=C2N1	REAL300020216965	0	39	-1.0	-43.86	316.14	4.73	-39.13
CC1=NC2=C3CCCN(C(=O)CCC4=NN=N[N-]4)C3=CC=C2N1	REAL300020216965	1	39	-1.0	-43.87	316.20	4.74	-39.13
CC1=CC(NC(=O)CCC2=NN=N[N-]2)=CC=C1C1=CC=CN=C1	REAL300020216966	0	38	-1.0	-41.84	322.51	4.84	-37.00
CC1=CC(NC(=O)CCC2=N[N-]N=N2)=CC=C1C1=CC=CN=C1	REAL300020216966	1	38	-1.0	-41.85	322.45	4.82	-37.03
CCOC(=O)C1=C(C)NC(C2CCN(C(=O)CCC3=N[N-]N=N3)CC2)=N1	REAL300020216967	0	48	-1.0	-44.77	390.61	5.04	-39.73
CCOC(=O)C1=C(C)NC(C2CCN(C(=O)CCC3=NN=N[N-]3)CC2)=N1	REAL300020216967	1	48	-1.0	-44.79	390.67	5.06	-39.73
O=C(CCC1=N[N-]N=N1)NCC1=NC2=C(F)C(F)=CC=C2N1	REAL300020216968	0	32	-1.0	-46.65	296.69	1.53	-45.12
O=C(CCC1=NN=N[N-]1)NCC1=NC2=C(F)C(F)=CC=C2N1	REAL300020216968	1	32	-1.0	-46.61	296.75	1.54	-45.07
CC1=CC=C(CN(CC2=CC=CC=N2)C(=O)CCC2=N[N-]N=N2)O1	REAL300020216969	0	41	-1.0	-47.98	344.10	5.67	-42.31
CC1=CC=C(CN(CC2=CC=CC=N2)C(=O)CCC2=NN=N[N-]2)O1	REAL300020216969	1	41	-1.0	-48.03	344.16	5.68	-42.35
CC1CCN(C(=O)CCC2=N[N-]N=N2)CC1[N-]C(=O)C(F)(F)F	REAL300020216970	0	38	-2.0	-86.76	327.85	0.79	-85.97
CC1CCN(C(=O)CCC2=N[N-]N=N2)CC1NC(=O)C(F)(F)F	REAL300020216970	1	39	-1.0	-45.71	333.59	2.43	-43.28
CC1CCN(C(=O)CCC2=NN=N[N-]2)CC1NC(=O)C(F)(F)F	REAL300020216970	1	39	-1.0	-45.77	333.65	2.44	-43.33
CC1CCN(C(=O)CCC2=NN=N[N-]2)CC1[N-]C(=O)C(F)(F)F	REAL300020216970	1	38	-2.0	-86.74	327.91	0.81	-85.93
CC(C)(C)OC(=O)NC1CN(C(=O)CCC2=N[N-]N=N2)CC(C)(C)C1	REAL300020216971	0	52	-1.0	-47.26	397.36	3.95	-43.31
CC(C)(C)OC(=O)NC1CN(C(=O)CCC2=NN=N[N-]2)CC(C)(C)C1	REAL300020216971	1	52	-1.0	-47.24	397.42	3.97	-43.27
COC(=O)C1CC(C2=CC=CC=C2)CN(C(=O)CCC2=N[N-]N=N2)C1	REAL300020216972	0	45	-1.0	-40.63	367.19	6.86	-33.77
COC(=O)C1CC(C2=CC=CC=C2)CN(C(=O)CCC2=NN=N[N-]2)C1	REAL300020216972	1	45	-1.0	-40.63	367.25	6.88	-33.75
CC1=CC(Br)=C(F)C=C1[C@H](C)NC(=O)CCC1=N[N-]N=N1	REAL300020216973	0	35	-1.0	-41.62	319.39	5.10	-36.52
CC1=CC(Br)=C(F)C=C1[C@H](C)NC(=O)CCC1=NN=N[N-]1	REAL300020216973	1	35	-1.0	-41.60	319.45	5.11	-36.49
O=C(CCC1=NN=N[N-]1)NC1=NC=C(CC2CCCO2)S1	REAL300020216974	0	36	-1.0	-45.59	318.23	3.07	-42.52
O=C(CCC1=N[N-]N=N1)NC1=NC=C(CC2CCCO2)S1	REAL300020216974	1	36	-1.0	-45.57	318.17	3.05	-42.52
CCCOC1=CC=C2NC=C(CCNC(=O)CCC3=N[N-]N=N3)C2=C1	REAL300020216975	0	46	-1.0	-46.28	383.90	4.53	-41.75
CCCOC1=CC=C2NC=C(CCNC(=O)CCC3=NN=N[N-]3)C2=C1	REAL300020216975	1	46	-1.0	-46.25	383.95	4.55	-41.70
CC(C)(C)C1=CC=C(C2(NC(=O)CCC3=N[N-]N=N3)CC2)C=C1	REAL300020216976	0	45	-1.0	-41.08	358.40	6.57	-34.51
CC(C)(C)C1=CC=C(C2(NC(=O)CCC3=NN=N[N-]3)CC2)C=C1	REAL300020216976	1	45	-1.0	-41.08	358.46	6.58	-34.50
COC(=O)C1=C(C)N=C(N2CCN(C(=O)CCC3=N[N-]N=N3)CC2)S1	REAL300020216977	0	43	-1.0	-41.46	364.78	3.20	-38.26
COC(=O)C1=C(C)N=C(N2CCN(C(=O)CCC3=NN=N[N-]3)CC2)S1	REAL300020216977	1	43	-1.0	-41.48	364.84	3.21	-38.27
CCOC(=O)C1=CSC(C2CCCN(C(=O)CCC3=N[N-]N=N3)C2)=N1	REAL300020216978	0	44	-1.0	-45.90	377.59	4.92	-40.98
CCOC(=O)C1=CSC(C2CCCN(C(=O)CCC3=NN=N[N-]3)C2)=N1	REAL300020216978	1	44	-1.0	-45.95	377.65	4.94	-41.01
C[C@@H]1CC2=C(SC(NC(=O)CCC3=N[N-]N=N3)=N2)[C@H](C)O1	REAL300020216979	0	36	-1.0	-43.95	314.14	2.85	-41.10
C[C@@H]1CC2=C(SC(NC(=O)CCC3=NN=N[N-]3)=N2)[C@H](C)O1	REAL300020216979	1	36	-1.0	-43.95	314.20	2.87	-41.08
C=CCN(CC(=C)Br)C(=O)CCC1=N[N-]N=N1	REAL300020216980	0	30	-1.0	-41.78	280.81	4.45	-37.33
C=CCN(CC(=C)Br)C(=O)CCC1=NN=N[N-]1	REAL300020216980	1	30	-1.0	-41.75	280.87	4.46	-37.29
C=C(Br)CN(CC1=CC=C(Cl)C=C1)C(=O)CCC1=N[N-]N=N1	REAL300020216981	0	36	-1.0	-44.18	343.13	7.35	-36.83
C=C(Br)CN(CC1=CC=C(Cl)C=C1)C(=O)CCC1=NN=N[N-]1	REAL300020216981	1	36	-1.0	-44.16	343.19	7.37	-36.79
COC(=O)C(NC(=O)CCC1=N[N-]N=N1)C(C)C1=CC=CC=C1	REAL300020216982	0	41	-1.0	-42.26	347.89	5.01	-37.25
COC(=O)C(NC(=O)CCC1=NN=N[N-]1)C(C)C1=CC=CC=C1	REAL300020216982	1	41	-1.0	-42.24	347.95	5.02	-37.22
O=C(CCC1=N[N-]N=N1)NC1=CC=CC(C2=CC=CC=C2C(F)(F)F)=C1F	REAL300020216983	0	39	-1.0	-43.84	345.88	6.97	-36.87
O=C(CCC1=NN=N[N-]1)NC1=CC=CC(C2=CC=CC=C2C(F)(F)F)=C1F	REAL300020216983	1	39	-1.0	-43.84	345.93	6.98	-36.86
O=C(CCC1=N[N-]N=N1)N1CC2=CC=CC=C2OC2(CCOC2)C1	REAL300020216984	0	42	-1.0	-40.04	332.76	3.89	-36.15
O=C(CCC1=NN=N[N-]1)N1CC2=CC=CC=C2OC2(CCOC2)C1	REAL300020216984	1	42	-1.0	-40.02	332.81	3.90	-36.12
COC(=O)C1=CN(CCC2CCCCN2C(=O)CCC2=NN=N[N-]2)N=N1	REAL300020216985	0	47	-1.0	-50.75	381.94	4.28	-46.47
COC(=O)C1=CN(CCC2CCCCN2C(=O)CCC2=N[N-]N=N2)N=N1	REAL300020216985	1	47	-1.0	-50.75	381.88	4.26	-46.49
O=C(CCC1=NN=N[N-]1)N(CC1=CC=CC=C1)C1=NC(Br)=CS1	REAL300020216986	0	35	-1.0	-35.04	331.77	6.44	-28.60
O=C(CCC1=N[N-]N=N1)N(CC1=CC=CC=C1)C1=NC(Br)=CS1	REAL300020216986	1	35	-1.0	-35.09	331.71	6.43	-28.66
O=C(CCC1=N[N-]N=N1)NCC1(C2=CC=CC=C2)COCCO1	REAL300020216987	0	41	-1.0	-39.91	332.66	2.57	-37.34
O=C(CCC1=NN=N[N-]1)NCC1(C2=CC=CC=C2)COCCO1	REAL300020216987	1	41	-1.0	-39.93	332.72	2.58	-37.35
CC(C)(C)OC(=O)N1CC(C)(C)C[C@H]1CNC(=O)CCC1=N[N-]N=N1	REAL300020216988	0	52	-1.0	-45.35	406.31	4.02	-41.33
CC(C)(C)OC(=O)N1CC(C)(C)C[C@H]1CNC(=O)CCC1=NN=N[N-]1	REAL300020216988	1	52	-1.0	-45.32	406.37	4.03	-41.29
CC(C)(C)OC(=O)NC1CC(NC(=O)CCC2=N[N-]N=N2)C1	REAL300020216989	0	43	-1.0	-43.64	350.55	0.88	-42.76
CC(C)(C)OC(=O)NC1CC(NC(=O)CCC2=NN=N[N-]2)C1	REAL300020216989	1	43	-1.0	-43.64	350.61	0.90	-42.74
CC(C)(C)OC(=O)NC1CC2(CC(NC(=O)CCC3=N[N-]N=N3)C2)C1	REAL300020216990	0	50	-1.0	-43.94	399.45	2.73	-41.21
CC(C)(C)OC(=O)NC1CC2(CC(NC(=O)CCC3=NN=N[N-]3)C2)C1	REAL300020216990	1	50	-1.0	-43.98	399.51	2.75	-41.23
O=C(CCC1=N[N-]N=N1)N1C2CCC1CC(N1CCCCS1(=O)=O)C2	REAL300020216991	0	48	-1.0	-45.69	371.22	2.72	-42.97
O=C(CCC1=NN=N[N-]1)N1C2CCC1CC(N1CCCCS1(=O)=O)C2	REAL300020216991	1	48	-1.0	-45.72	371.28	2.74	-42.98
O=C(CCC1=N[N-]N=N1)N[C@H]1CC[C@H](C2=NC3=CC=CC=C3O2)CC1	REAL300020216992	0	44	-1.0	-46.27	362.98	2.94	-43.33
O=C(CCC1=NN=N[N-]1)N[C@H]1CC[C@H](C2=NC3=CC=CC=C3O2)CC1	REAL300020216992	1	44	-1.0	-46.30	363.04	2.95	-43.35
CC1=C(SCCNC(=O)CCC2=N[N-]N=N2)C2=CC=CC=C2N1	REAL300020216993	0	40	-1.0	-43.28	354.76	4.63	-38.65
CC1=C(SCCNC(=O)CCC2=NN=N[N-]2)C2=CC=CC=C2N1	REAL300020216993	1	40	-1.0	-43.27	354.82	4.65	-38.62
COC(=O)[C@H](CC1=CN(C)C=N1)NC(=O)CCC1=N[N-]N=N1	REAL300020216994	0	38	-1.0	-48.83	335.20	3.81	-45.02
COC(=O)[C@H](CC1=CN(C)C=N1)NC(=O)CCC1=NN=N[N-]1	REAL300020216994	1	38	-1.0	-48.81	335.26	3.82	-44.99
CC1CN(C(=O)CCC2=NN=N[N-]2)CCN1C1=CN=CC=N1	REAL300020216995	0	39	-1.0	-41.91	319.24	1.25	-40.66
CC1CN(C(=O)CCC2=N[N-]N=N2)CCN1C1=CN=CC=N1	REAL300020216995	1	39	-1.0	-41.89	319.18	1.24	-40.65
COC(=O)C1=CC=CC2=C1CN(C(=O)CCC1=N[N-]N=N1)CCO2	REAL300020216996	0	40	-1.0	-46.56	333.65	4.86	-41.70
COC(=O)C1=CC=CC2=C1CN(C(=O)CCC1=NN=N[N-]1)CCO2	REAL300020216996	1	40	-1.0	-46.55	333.71	4.87	-41.68
O=C(CCC1=N[N-]N=N1)NCC1=CC=CC2=C1NC(=O)CO2	REAL300020216997	0	35	-1.0	-44.28	305.20	-0.01	-44.29
O=C(CCC1=NN=N[N-]1)NCC1=CC=CC2=C1NC(=O)CO2	REAL300020216997	1	35	-1.0	-44.26	305.26	0.01	-44.25
CC(C)(C)OC(=O)N1CCC[C@@H]2CC[C@@]21CNC(=O)CCC1=N[N-]N=N1	REAL300020216998	0	53	-1.0	-43.36	399.16	4.63	-38.73
CC(C)(C)OC(=O)N1CCC[C@@H]2CC[C@@]21CNC(=O)CCC1=NN=N[N-]1	REAL300020216998	1	53	-1.0	-43.36	399.22	4.64	-38.72
CC(C)(C)OC(=O)NC1CC(CCNC(=O)CCC2=N[N-]N=N2)C1	REAL300020216999	0	49	-1.0	-44.00	393.28	2.35	-41.65
CC(C)(C)OC(=O)NC1CC(CCNC(=O)CCC2=NN=N[N-]2)C1	REAL300020216999	1	49	-1.0	-43.98	393.34	2.36	-41.62
CC(C)(C)OC(=O)NC1CC12CCC(NC(=O)CCC1=N[N-]N=N1)CC2	REAL300020217000	0	53	-1.0	-43.86	414.44	3.61	-40.25
CC(C)(C)OC(=O)NC1CC12CCC(NC(=O)CCC1=NN=N[N-]1)CC2	REAL300020217000	1	53	-1.0	-43.81	414.50	3.62	-40.19
O=C(CCC1=N[N-]N=N1)N1CCC(S(=O)(=O)CC2=CC=CC=C2)C1	REAL300020217001	0	42	-1.0	-51.93	364.42	3.47	-48.46
O=C(CCC1=NN=N[N-]1)N1CCC(S(=O)(=O)CC2=CC=CC=C2)C1	REAL300020217001	1	42	-1.0	-51.95	364.48	3.49	-48.46
COC(=O)C1=CC(OC2CCOC2)=CC=C1NC(=O)CCC1=N[N-]N=N1	REAL300020217002	0	44	-1.0	-41.82	367.98	3.25	-38.57
COC(=O)C1=CC(OC2CCOC2)=CC=C1NC(=O)CCC1=NN=N[N-]1	REAL300020217002	1	44	-1.0	-41.85	368.03	3.27	-38.58
O=C(CCC1=N[N-]N=N1)NC(CCC1=CC=CC=C1)CC(F)(F)F	REAL300020217003	0	41	-1.0	-43.98	347.08	6.19	-37.79
O=C(CCC1=NN=N[N-]1)NC(CCC1=CC=CC=C1)CC(F)(F)F	REAL300020217003	1	41	-1.0	-43.98	347.14	6.20	-37.78
COC(=O)C1=NN(C2CCN(C(=O)CCC3=NN=N[N-]3)CC2)C=C1	REAL300020217004	0	42	-1.0	-44.14	351.08	4.21	-39.93
COC(=O)C1=NN(C2CCN(C(=O)CCC3=N[N-]N=N3)CC2)C=C1	REAL300020217004	1	42	-1.0	-44.16	351.02	4.20	-39.96
C[N@@H+]1CCN(C(=O)CCC2=N[N-]N=N2)CCC12CCOCC2	REAL300020217005	0	46	0.0	-64.92	322.29	3.83	-61.09
C[N@H+]1CCN(C(=O)CCC2=N[N-]N=N2)CCC12CCOCC2	REAL300020217005	1	46	0.0	-54.72	322.70	4.02	-50.70
C[N@@H+]1CCN(C(=O)CCC2=NN=N[N-]2)CCC12CCOCC2	REAL300020217005	1	46	0.0	-64.90	322.35	3.84	-61.06
C[N@H+]1CCN(C(=O)CCC2=NN=N[N-]2)CCC12CCOCC2	REAL300020217005	1	46	0.0	-54.74	322.76	4.04	-50.70
CC(C)(C)OC(=O)NC(CNC(=O)CCC1=N[N-]N=N1)C(F)(F)F	REAL300020217006	0	42	-1.0	-40.57	359.06	0.95	-39.62
CC(C)(C)OC(=O)NC(CNC(=O)CCC1=NN=N[N-]1)C(F)(F)F	REAL300020217006	1	42	-1.0	-40.64	359.12	0.97	-39.67
CC(C)(C)OC(=O)N1CCCCC2C(NC(=O)CCC3=N[N-]N=N3)C21	REAL300020217007	0	50	-1.0	-40.28	377.16	6.06	-34.22
CC(C)(C)OC(=O)N1CCCCC2C(NC(=O)CCC3=NN=N[N-]3)C21	REAL300020217007	1	50	-1.0	-40.25	377.22	6.07	-34.18
CC(C)(C)OC(=O)NCCC1CC(NC(=O)CCC2=N[N-]N=N2)C1	REAL300020217008	0	49	-1.0	-45.01	393.28	2.32	-42.69
CC(C)(C)OC(=O)NCCC1CC(NC(=O)CCC2=NN=N[N-]2)C1	REAL300020217008	1	49	-1.0	-45.01	393.34	2.33	-42.68
CCOC(=O)CC(NC(=O)CCC1=N[N-]N=N1)C1=CC=CC(Cl)=C1	REAL300020217009	0	41	-1.0	-45.47	369.81	6.27	-39.20
CCOC(=O)CC(NC(=O)CCC1=NN=N[N-]1)C1=CC=CC(Cl)=C1	REAL300020217009	1	41	-1.0	-45.50	369.87	6.27	-39.23
COC(=O)C1=CC=C(CN(C(=O)CCC2=N[N-]N=N2)C2CC2)C=C1	REAL300020217010	0	42	-1.0	-42.12	346.20	6.49	-35.63
COC(=O)C1=CC=C(CN(C(=O)CCC2=NN=N[N-]2)C2CC2)C=C1	REAL300020217010	1	42	-1.0	-42.14	346.25	6.50	-35.64
CCN(CC1=NC(=O)C2=C(C=CS2)N1)C(=O)CCC1=N[N-]N=N1	REAL300020217011	0	37	-1.0	-63.25	331.37	3.03	-60.22
CCN(CC1=NC(=O)C2=C(C=CS2)N1)C(=O)CCC1=NN=N[N-]1	REAL300020217011	1	37	-1.0	-63.29	331.43	3.04	-60.25
COC1=CC(C2CCN(C(=O)CCC3=N[N-]N=N3)CC2)=CC(OC)=C1	REAL300020217012	0	47	-1.0	-43.16	371.72	4.89	-38.27
COC1=CC(C2CCN(C(=O)CCC3=NN=N[N-]3)CC2)=CC(OC)=C1	REAL300020217012	1	47	-1.0	-43.16	371.78	4.90	-38.26
CCOC(=O)C1=C(C2CC2)C=C(NC(=O)CCC2=N[N-]N=N2)S1	REAL300020217013	0	39	-1.0	-40.49	343.98	5.29	-35.20
CCOC(=O)C1=C(C2CC2)C=C(NC(=O)CCC2=NN=N[N-]2)S1	REAL300020217013	1	39	-1.0	-40.56	344.04	5.30	-35.26
CCC1=C(C(=O)OC)SC(NC(=O)CCC2=N[N-]N=N2)=C1	REAL300020217014	0	35	-1.0	-40.13	313.75	3.64	-36.49
CCC1=C(C(=O)OC)SC(NC(=O)CCC2=NN=N[N-]2)=C1	REAL300020217014	1	35	-1.0	-40.16	313.81	3.65	-36.51
NS(=O)(=O)N1CCCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300020217015	0	36	-1.0	-45.50	297.61	-2.25	-47.75
NS(=O)(=O)N1CCCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020217015	1	36	-1.0	-45.54	297.67	-2.23	-47.77
CC(NC(=O)CCC1=N[N-]N=N1)C1=NC=CC(C(F)(F)F)=N1	REAL300020217016	0	33	-1.0	-42.49	306.69	1.71	-40.78
CC(NC(=O)CCC1=NN=N[N-]1)C1=NC=CC(C(F)(F)F)=N1	REAL300020217016	1	33	-1.0	-42.46	306.75	1.73	-40.73
O=C(CCC1=N[N-]N=N1)N1CC2(CC2)OC2=CC=C(Br)C=C21	REAL300020217017	0	35	-1.0	-39.57	313.03	5.42	-34.15
O=C(CCC1=NN=N[N-]1)N1CC2(CC2)OC2=CC=C(Br)C=C21	REAL300020217017	1	35	-1.0	-39.54	313.09	5.44	-34.10
O=C(CCC1=N[N-]N=N1)N1CCC2(CC1)OC(=O)NC21CCC1	REAL300020217018	0	42	-1.0	-44.30	325.77	1.31	-42.99
O=C(CCC1=NN=N[N-]1)N1CCC2(CC1)OC(=O)NC21CCC1	REAL300020217018	1	42	-1.0	-44.35	325.82	1.33	-43.02
CC(C)(C)OC(=O)N[C@]12C[C@H]1CN(C(=O)CCC1=N[N-]N=N1)C2	REAL300020217019	0	44	-1.0	-45.42	354.60	2.18	-43.24
CC(C)(C)OC(=O)N[C@]12C[C@H]1CN(C(=O)CCC1=NN=N[N-]1)C2	REAL300020217019	1	44	-1.0	-45.43	354.66	2.20	-43.23
CC(C)(C)[Si](C)(C)OCC1CN(C(=O)CCC2=N[N-]N=N2)C1	REAL300020217020	0	48	-1.0	-42.17	386.89	6.69	-35.48
CC(C)(C)[Si](C)(C)OCC1CN(C(=O)CCC2=NN=N[N-]2)C1	REAL300020217020	1	48	-1.0	-42.13	386.94	6.70	-35.43
COC(=O)C1(NC(=O)OC(C)(C)C)CC(CNC(=O)CCC2=N[N-]N=N2)C1	REAL300020217021	0	52	-1.0	-46.08	423.18	2.08	-44.00
COC(=O)C1(NC(=O)OC(C)(C)C)CC(CNC(=O)CCC2=NN=N[N-]2)C1	REAL300020217021	1	52	-1.0	-46.09	423.24	2.09	-44.00
O=C(CCC1=N[N-]N=N1)N1CCC(NC2=CC=C(Cl)C=C2)CC1	REAL300020217022	0	41	-1.0	-39.84	344.70	5.17	-34.67
O=C(CCC1=NN=N[N-]1)N1CCC(NC2=CC=C(Cl)C=C2)CC1	REAL300020217022	1	41	-1.0	-39.86	344.76	5.19	-34.67
O=C(CCC1=NN=N[N-]1)NC1=CC=C(N2C=C(Cl)C=N2)C(Cl)=C1	REAL300020217023	0	33	-1.0	-45.04	319.14	5.03	-40.01
O=C(CCC1=N[N-]N=N1)NC1=CC=C(N2C=C(Cl)C=N2)C(Cl)=C1	REAL300020217023	1	33	-1.0	-45.03	319.09	5.02	-40.01
N#CC1=CC=C(CC2CCCN(C(=O)CCC3=N[N-]N=N3)C2)C=C1	REAL300020217024	0	43	-1.0	-44.41	354.72	7.41	-37.00
N#CC1=CC=C(CC2CCCN(C(=O)CCC3=NN=N[N-]3)C2)C=C1	REAL300020217024	1	43	-1.0	-44.41	354.78	7.42	-36.99
CC(C)(C)OC(=O)NCC12CN(C(=O)CCC3=N[N-]N=N3)CC1CCCC2	REAL300020217025	0	56	-1.0	-43.65	414.94	4.51	-39.14
CC(C)(C)OC(=O)NCC12CN(C(=O)CCC3=NN=N[N-]3)CC1CCCC2	REAL300020217025	1	56	-1.0	-43.64	414.99	4.52	-39.12
CC(C)(C)OC(=O)NC1CCOC2(CCN(C(=O)CCC3=N[N-]N=N3)CC2)C1	REAL300020217026	0	57	-1.0	-42.76	426.50	3.39	-39.37
CC(C)(C)OC(=O)NC1CCOC2(CCN(C(=O)CCC3=NN=N[N-]3)CC2)C1	REAL300020217026	1	57	-1.0	-42.73	426.56	3.40	-39.33
COC(=O)C1=CC(C)=C(O)C(NC(=O)CCC2=N[N-]N=N2)=C1	REAL300020217027	0	36	-1.0	-42.18	316.62	1.26	-40.92
COC(=O)C1=CC(C)=C(O)C(NC(=O)CCC2=NN=N[N-]2)=C1	REAL300020217027	1	36	-1.0	-42.19	316.67	1.27	-40.92
O=C(CCC1=N[N-]N=N1)N[C@H]1C[C@H](C2=CC=CC(Br)=C2)C1	REAL300020217028	0	36	-1.0	-40.06	322.65	5.27	-34.79
O=C(CCC1=NN=N[N-]1)N[C@H]1C[C@H](C2=CC=CC(Br)=C2)C1	REAL300020217028	1	36	-1.0	-40.05	322.71	5.29	-34.76
CC1=CC(C(O)CN(C)C(=O)CCC2=N[N-]N=N2)=CC=C1O	REAL300020217029	0	40	-1.0	-44.50	335.22	0.32	-44.18
CC1=CC(C(O)CN(C)C(=O)CCC2=NN=N[N-]2)=CC=C1O	REAL300020217029	1	40	-1.0	-44.54	335.28	0.34	-44.20
O=C(CCC1=N[N-]N=N1)NC1=CC=C2CCCC(=O)NC2=C1	REAL300020217030	0	37	-1.0	-42.90	307.18	2.69	-40.21
O=C(CCC1=NN=N[N-]1)NC1=CC=C2CCCC(=O)NC2=C1	REAL300020217030	1	37	-1.0	-42.87	307.24	2.70	-40.17
COC1=CC=C(N(CC2=CC=CC=C2)C(=O)CCC2=N[N-]N=N2)C=C1OC	REAL300020217031	0	47	-1.0	-44.21	372.23	6.70	-37.51
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CC(NC(=O)CCC1=N[N-]N=N1)C1=NN(C2=CC=CC=C2)C=C1	REAL300020217063	0	39	-1.0	-43.88	336.01	4.69	-39.19
CC(NC(=O)CCC1=NN=N[N-]1)C1=NN(C2=CC=CC=C2)C=C1	REAL300020217063	1	39	-1.0	-43.88	336.06	4.70	-39.18
C[C@@H](NC(=O)CCC1=N[N-]N=N1)C1=CC=C2OC(C)CC2=C1	REAL300020217064	0	40	-1.0	-40.90	332.13	4.14	-36.76
C[C@@H](NC(=O)CCC1=NN=N[N-]1)C1=CC=C2OC(C)CC2=C1	REAL300020217064	1	40	-1.0	-40.92	332.19	4.15	-36.77
CN(CC1OCCN(C)C1C1=CC=CC=C1)C(=O)CCC1=N[N-]N=N1	REAL300020217065	0	48	-1.0	-41.29	377.54	4.15	-37.14
CN(CC1OCCN(C)C1C1=CC=CC=C1)C(=O)CCC1=NN=N[N-]1	REAL300020217065	1	48	-1.0	-41.37	377.60	4.17	-37.20
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C[C@H](NC(=O)CCC1=NN=N[N-]1)C1=CC=C2OC(C)CC2=C1	REAL300020217069	1	40	-1.0	-40.74	332.20	4.15	-36.59
CC(C)[NH+]1CCN(C2(CNC(=O)CCC3=N[N-]N=N3)CCCC2)CC1	REAL300020217070	0	56	0.0	-58.94	400.83	4.10	-54.84
CC(C)[NH+]1CCN(C2(CNC(=O)CCC3=NN=N[N-]3)CCCC2)CC1	REAL300020217070	1	56	0.0	-58.97	400.89	4.11	-54.86
CC(C)N1CC[NH+](C2(CNC(=O)CCC3=N[N-]N=N3)CCCC2)CC1	REAL300020217070	1	56	0.0	-55.47	397.97	4.00	-51.47
COCC(C)(CNC(=O)CCC1=N[N-]N=N1)N1CC[NH+](C(C)C)CC1	REAL300020217071	0	56	0.0	-59.44	406.59	2.97	-56.47
COCC(C)(CNC(=O)CCC1=NN=N[N-]1)N1CC[NH+](C(C)C)CC1	REAL300020217071	1	56	0.0	-59.44	406.65	2.98	-56.46
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CC1=CC([C@H](C)NC(=O)CCC2=NN=N[N-]2)=CC=C1Br	REAL300020217073	1	35	-1.0	-38.73	314.67	4.73	-34.00
CC1=CC=C(CC2=CN=C(NC(=O)CCC3=NN=N[N-]3)S2)C=C1	REAL300020217074	0	38	-1.0	-44.07	342.80	6.45	-37.62
CC1=CC=C(CC2=CN=C(NC(=O)CCC3=N[N-]N=N3)S2)C=C1	REAL300020217074	1	38	-1.0	-44.04	342.74	6.44	-37.60
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CN(CCC1CCCCN1C(=O)CCC1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL300020217077	0	55	-1.0	-46.24	414.59	6.42	-39.82
CN(CCC1CCCCN1C(=O)CCC1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL300020217077	1	55	-1.0	-46.26	414.65	6.44	-39.82
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CN(C)C(=O)CCN1C=CC(NC(=O)CCC2=NN=N[N-]2)=N1	REAL300020217079	0	39	-1.0	-44.33	333.16	2.43	-41.90
CN(C)C(=O)CCN1C=CC(NC(=O)CCC2=N[N-]N=N2)=N1	REAL300020217079	1	39	-1.0	-44.32	333.10	2.41	-41.91
CC(C)(C)OC(=O)N1CCC2(COC(CNC(=O)CCC3=N[N-]N=N3)C2)C1	REAL300020217080	0	54	-1.0	-47.45	423.35	2.69	-44.76
CC(C)(C)OC(=O)N1CCC2(COC(CNC(=O)CCC3=NN=N[N-]3)C2)C1	REAL300020217080	1	54	-1.0	-47.44	423.41	2.70	-44.74
CC1=CC(C)=C2OCC[C@H](NC(=O)CCC3=N[N-]N=N3)C2=C1	REAL300020217081	0	40	-1.0	-39.37	328.80	4.29	-35.08
CC1=CC(C)=C2OCC[C@H](NC(=O)CCC3=NN=N[N-]3)C2=C1	REAL300020217081	1	40	-1.0	-39.37	328.86	4.31	-35.06
CC1=CC(C)=C2OCC[C@@H](NC(=O)CCC3=N[N-]N=N3)C2=C1	REAL300020217082	0	40	-1.0	-39.34	328.81	4.29	-35.05
CC1=CC(C)=C2OCC[C@@H](NC(=O)CCC3=NN=N[N-]3)C2=C1	REAL300020217082	1	40	-1.0	-39.35	328.87	4.31	-35.04
O=C(CCC1=N[N-]N=N1)N1CCN2C=C(C(F)(F)F)N=C2C1	REAL300020217083	0	33	-1.0	-43.89	295.62	3.81	-40.08
O=C(CCC1=NN=N[N-]1)N1CCN2C=C(C(F)(F)F)N=C2C1	REAL300020217083	1	33	-1.0	-43.90	295.67	3.82	-40.08
COC(=O)C(CC1CC=CCC1)NC(=O)CCC1=N[N-]N=N1	REAL300020217084	0	42	-1.0	-43.64	345.55	4.80	-38.84
COC(=O)C(CC1CC=CCC1)NC(=O)CCC1=NN=N[N-]1	REAL300020217084	1	42	-1.0	-43.63	345.61	4.82	-38.81
COC1=CC=C2NC(=O)CN(C(=O)CCC3=N[N-]N=N3)C2=C1	REAL300020217085	0	35	-1.0	-44.81	296.65	1.29	-43.52
COC1=CC=C2NC(=O)CN(C(=O)CCC3=NN=N[N-]3)C2=C1	REAL300020217085	1	35	-1.0	-44.82	296.71	1.31	-43.51
CC1=CC(NC(=O)CCC2=N[N-]N=N2)=CN=C1NCC1=CC=C(Cl)C=C1	REAL300020217086	0	43	-1.0	-40.67	379.73	5.85	-34.82
CC1=CC(NC(=O)CCC2=NN=N[N-]2)=CN=C1NCC1=CC=C(Cl)C=C1	REAL300020217086	1	43	-1.0	-40.62	379.79	5.87	-34.75
CC(C)(C)OC(=O)N1CCCC[C@H](NC(=O)CCC2=N[N-]N=N2)C1	REAL300020217087	0	49	-1.0	-49.32	378.47	4.15	-45.17
CC(C)(C)OC(=O)N1CCCC[C@H](NC(=O)CCC2=NN=N[N-]2)C1	REAL300020217087	1	49	-1.0	-49.35	378.53	4.17	-45.18
CC(C)(C)OC(=O)NC1=CC=C2CCCN(C(=O)CCC3=N[N-]N=N3)C2=C1	REAL300020217088	0	50	-1.0	-42.79	390.27	5.53	-37.26
CC(C)(C)OC(=O)NC1=CC=C2CCCN(C(=O)CCC3=NN=N[N-]3)C2=C1	REAL300020217088	1	50	-1.0	-42.78	390.32	5.54	-37.24
CC(C)(C)OC(=O)NCC1=CC=CC2=C1CCCN2C(=O)CCC1=N[N-]N=N1	REAL300020217089	0	53	-1.0	-41.92	412.19	5.53	-36.39
CC(C)(C)OC(=O)NCC1=CC=CC2=C1CCCN2C(=O)CCC1=NN=N[N-]1	REAL300020217089	1	53	-1.0	-41.88	412.25	5.55	-36.33
CC(C)(C)OC(=O)N1CC2(C1)CCCN2C(=O)CCC1=N[N-]N=N1	REAL300020217090	0	47	-1.0	-43.86	369.44	4.06	-39.80
CC(C)(C)OC(=O)N1CC2(C1)CCCN2C(=O)CCC1=NN=N[N-]1	REAL300020217090	1	47	-1.0	-43.84	369.50	4.07	-39.77
CN(C)C1=NC=C(Br)C2=C1CN(C(=O)CCC1=N[N-]N=N1)CC2	REAL300020217091	0	40	-1.0	-39.29	343.43	4.34	-34.95
CN(C)C1=NC=C(Br)C2=C1CN(C(=O)CCC1=NN=N[N-]1)CC2	REAL300020217091	1	40	-1.0	-39.28	343.49	4.36	-34.92
CC(C)(C)OC(=O)CN1C=CC2=C(NC(=O)CCC3=N[N-]N=N3)C=CC=C21	REAL300020217092	0	48	-1.0	-47.08	396.59	7.52	-39.56
CC(C)(C)OC(=O)CN1C=CC2=C(NC(=O)CCC3=NN=N[N-]3)C=CC=C21	REAL300020217092	1	48	-1.0	-47.04	396.65	7.54	-39.50
O=C(CCC1=N[N-]N=N1)N1CCC[C@@H]1CCC1=CC=CC=N1	REAL300020217093	0	41	-1.0	-47.49	334.79	5.48	-42.01
O=C(CCC1=NN=N[N-]1)N1CCC[C@@H]1CCC1=CC=CC=N1	REAL300020217093	1	41	-1.0	-47.49	334.85	5.50	-41.99
C[NH+](C)C1CN(C(=O)CCC2=N[N-]N=N2)CC12CCOCC2	REAL300020217094	0	46	0.0	-66.44	331.09	3.27	-63.17
C[NH+](C)C1CN(C(=O)CCC2=NN=N[N-]2)CC12CCOCC2	REAL300020217094	1	46	0.0	-66.44	331.15	3.28	-63.16
CN1C(CNC(=O)CCC2=N[N-]N=N2)=NN=C1C1=CC=CC=C1	REAL300020217095	0	38	-1.0	-45.66	327.49	4.22	-41.44
CN1C(CNC(=O)CCC2=NN=N[N-]2)=NN=C1C1=CC=CC=C1	REAL300020217095	1	38	-1.0	-45.71	327.55	4.24	-41.47
COC(=O)CCC(=O)C1CCCN1C(=O)CCC1=N[N-]N=N1	REAL300020217096	0	40	-1.0	-47.15	339.35	4.46	-42.69
COC(=O)CCC(=O)C1CCCN1C(=O)CCC1=NN=N[N-]1	REAL300020217096	1	40	-1.0	-47.21	339.41	4.48	-42.73
COC(=O)C1=C(C2CCN(C(=O)CCC3=NN=N[N-]3)CC2)OC=N1	REAL300020217097	0	41	-1.0	-44.25	343.87	1.74	-42.51
COC(=O)C1=C(C2CCN(C(=O)CCC3=N[N-]N=N3)CC2)OC=N1	REAL300020217097	1	41	-1.0	-44.23	343.82	1.73	-42.50
O=C(CCC1=N[N-]N=N1)NCCC1=CN(C2CCOC2)N=N1	REAL300020217098	0	39	-1.0	-47.70	329.40	-0.02	-47.72
O=C(CCC1=NN=N[N-]1)NCCC1=CN(C2CCOC2)N=N1	REAL300020217098	1	39	-1.0	-47.73	329.46	-0.01	-47.74
O=C(CCC1=N[N-]N=N1)N[C@@H]1COC[C@H]1C(=O)C1=CC=CC=C1	REAL300020217099	0	39	-1.0	-48.33	331.15	2.57	-45.76
O=C(CCC1=NN=N[N-]1)N[C@@H]1COC[C@H]1C(=O)C1=CC=CC=C1	REAL300020217099	1	39	-1.0	-48.29	331.21	2.58	-45.71
COC(=O)[C@@H]1CN(C(=O)CCC2=N[N-]N=N2)C[C@H]1C1=CN=CN1C	REAL300020217100	0	42	-1.0	-46.77	351.94	5.23	-41.54
COC(=O)[C@@H]1CN(C(=O)CCC2=NN=N[N-]2)C[C@H]1C1=CN=CN1C	REAL300020217100	1	42	-1.0	-46.79	351.99	5.24	-41.55
CC(CC1CN(C(=O)OC(C)(C)C)C1)NC(=O)CCC1=N[N-]N=N1	REAL300020217101	0	49	-1.0	-46.40	392.19	3.85	-42.55
CC(CC1CN(C(=O)OC(C)(C)C)C1)NC(=O)CCC1=NN=N[N-]1	REAL300020217101	1	49	-1.0	-46.39	392.25	3.86	-42.53
O=C(CCC1=N[N-]N=N1)N1CCC(F)(CC2=CC=CC=N2)CC1	REAL300020217102	0	41	-1.0	-41.91	332.82	5.38	-36.53
O=C(CCC1=NN=N[N-]1)N1CCC(F)(CC2=CC=CC=N2)CC1	REAL300020217102	1	41	-1.0	-41.93	332.87	5.39	-36.54
CN1C=C(N2CCC[C@@H]2CNC(=O)CCC2=NN=N[N-]2)C=N1	REAL300020217103	0	41	-1.0	-43.46	330.62	1.09	-42.37
CN1C=C(N2CCC[C@@H]2CNC(=O)CCC2=N[N-]N=N2)C=N1	REAL300020217103	1	41	-1.0	-43.45	330.56	1.08	-42.37
COC(=O)C1(NC(=O)CCC2=N[N-]N=N2)CC(C)(C)OC(C)(C)C1	REAL300020217104	0	48	-1.0	-39.15	363.66	4.65	-34.50
COC(=O)C1(NC(=O)CCC2=NN=N[N-]2)CC(C)(C)OC(C)(C)C1	REAL300020217104	1	48	-1.0	-39.15	363.72	4.67	-34.48
COC(=O)C1CN(C(=O)CCC2=N[N-]N=N2)CC2=C1C=CC=C2C(F)(F)F	REAL300020217105	0	42	-1.0	-42.12	357.37	6.29	-35.83
COC(=O)C1CN(C(=O)CCC2=NN=N[N-]2)CC2=C1C=CC=C2C(F)(F)F	REAL300020217105	1	42	-1.0	-42.19	357.43	6.30	-35.89
CC(C)(C)OC(=O)NC1=CC=CC=C1CNC(=O)CCC1=N[N-]N=N1	REAL300020217106	0	46	-1.0	-41.26	375.92	3.17	-38.09
CC(C)(C)OC(=O)NC1=CC=CC=C1CNC(=O)CCC1=NN=N[N-]1	REAL300020217106	1	46	-1.0	-41.18	375.98	3.19	-37.99
CNC(=O)C1=CN(CC2CCCN(C(=O)CCC3=NN=N[N-]3)C2)N=N1	REAL300020217107	0	45	-1.0	-51.54	368.75	1.23	-50.31
CNC(=O)C1=CN(CC2CCCN(C(=O)CCC3=N[N-]N=N3)C2)N=N1	REAL300020217107	1	45	-1.0	-51.52	368.69	1.22	-50.30
O=C(CCC1=N[N-]N=N1)N1CCC(OCC2=CC=CC=C2)C1	REAL300020217108	0	40	-1.0	-41.18	336.77	5.10	-36.08
O=C(CCC1=NN=N[N-]1)N1CCC(OCC2=CC=CC=C2)C1	REAL300020217108	1	40	-1.0	-41.24	336.83	5.11	-36.13
CC1=CC(NC(=O)CCC2=N[N-]N=N2)=C(NC(=O)OC(C)(C)C)C=C1C	REAL300020217109	0	49	-1.0	-40.65	389.85	4.42	-36.23
CC1=CC(NC(=O)CCC2=NN=N[N-]2)=C(NC(=O)OC(C)(C)C)C=C1C	REAL300020217109	1	49	-1.0	-40.65	389.91	4.43	-36.22
C[NH+]1CCN(C2=CC=C(CCNC(=O)CCC3=N[N-]N=N3)C=C2)CC1	REAL300020217110	0	50	0.0	-66.85	391.21	4.55	-62.30
C[NH+]1CCN(C2=CC=C(CCNC(=O)CCC3=NN=N[N-]3)C=C2)CC1	REAL300020217110	1	50	0.0	-66.83	391.26	4.57	-62.26
CS(=O)(=O)C1=CC=C(CCNC(=O)CCC2=N[N-]N=N2)C=C1	REAL300020217111	0	38	-1.0	-49.48	339.77	0.99	-48.49
CS(=O)(=O)C1=CC=C(CCNC(=O)CCC2=NN=N[N-]2)C=C1	REAL300020217111	1	38	-1.0	-49.45	339.83	1.00	-48.45
CC(C)(C)OC(=O)N1CCOC2(CCCN(C(=O)CCC3=N[N-]N=N3)C2)C1	REAL300020217112	0	54	-1.0	-43.08	406.76	4.65	-38.43
CC(C)(C)OC(=O)N1CCOC2(CCCN(C(=O)CCC3=NN=N[N-]3)C2)C1	REAL300020217112	1	54	-1.0	-43.13	406.82	4.66	-38.47
CC(C)(C)OC(=O)NC1CCN(C(=O)CCC2=N[N-]N=N2)CC1(F)F	REAL300020217113	0	46	-1.0	-41.23	372.20	2.82	-38.41
CC(C)(C)OC(=O)NC1CCN(C(=O)CCC2=NN=N[N-]2)CC1(F)F	REAL300020217113	1	46	-1.0	-41.25	372.26	2.83	-38.42
CN(C(=O)OC(C)(C)C)[C@H]1CC[C@@H](NC(=O)CCC2=N[N-]N=N2)CC1	REAL300020217114	0	52	-1.0	-41.39	389.33	4.44	-36.95
CN(C(=O)OC(C)(C)C)[C@H]1CC[C@@H](NC(=O)CCC2=NN=N[N-]2)CC1	REAL300020217114	1	52	-1.0	-41.40	389.39	4.45	-36.95
CC(C)(C)OC(=O)NC1CCN(C(=O)CCC2=N[N-]N=N2)C2=CC=CC=C21	REAL300020217115	0	50	-1.0	-41.74	387.22	4.94	-36.80
CC(C)(C)OC(=O)NC1CCN(C(=O)CCC2=NN=N[N-]2)C2=CC=CC=C21	REAL300020217115	1	50	-1.0	-41.74	387.28	4.96	-36.78
CC(C)(C)OC(=O)N1CCN(C(=O)CCC2=N[N-]N=N2)CC(F)(F)C1	REAL300020217116	0	46	-1.0	-51.64	364.54	4.96	-46.68
CC(C)(C)OC(=O)N1CCN(C(=O)CCC2=NN=N[N-]2)CC(F)(F)C1	REAL300020217116	1	46	-1.0	-51.62	364.60	4.98	-46.64
C=CCC1(C(=O)OCC)CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300020217117	0	45	-1.0	-41.40	352.13	5.83	-35.57
C=CCC1(C(=O)OCC)CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020217117	1	45	-1.0	-41.37	352.19	5.85	-35.52
CN1C=NC=C1[C@@H]1CN(C(=O)CCC2=N[N-]N=N2)C[C@H]1CO	REAL300020217118	0	40	-1.0	-44.46	329.94	1.90	-42.56
CN1C=NC=C1[C@@H]1CN(C(=O)CCC2=NN=N[N-]2)C[C@H]1CO	REAL300020217118	1	40	-1.0	-44.50	329.99	1.91	-42.59
CC(C)(C)OC(=O)NC1=CC=CC(CCNC(=O)CCC2=N[N-]N=N2)=C1	REAL300020217119	0	49	-1.0	-43.51	400.90	3.71	-39.80
CC(C)(C)OC(=O)NC1=CC=CC(CCNC(=O)CCC2=NN=N[N-]2)=C1	REAL300020217119	1	49	-1.0	-43.51	400.96	3.73	-39.78
CC(C)(C)OC(=O)NC1(CNC(=O)CCC2=N[N-]N=N2)COC1	REAL300020217120	0	44	-1.0	-42.12	353.79	-0.22	-42.34
CC(C)(C)OC(=O)NC1(CNC(=O)CCC2=NN=N[N-]2)COC1	REAL300020217120	1	44	-1.0	-42.11	353.85	-0.21	-42.32
CC1=CC=CC(N2CCC(NC(=O)CCC3=N[N-]N=N3)C2)=C1	REAL300020217121	0	41	-1.0	-39.50	332.31	3.04	-36.46
CC1=CC=CC(N2CCC(NC(=O)CCC3=NN=N[N-]3)C2)=C1	REAL300020217121	1	41	-1.0	-39.51	332.37	3.05	-36.46
CC1=NC2=C(F)C=C(NC(=O)CCC3=N[N-]N=N3)C=C2S1	REAL300020217122	0	31	-1.0	-43.52	291.85	2.81	-40.71
CC1=NC2=C(F)C=C(NC(=O)CCC3=NN=N[N-]3)C=C2S1	REAL300020217122	1	31	-1.0	-43.56	291.91	2.83	-40.73
O=C(CCC1=N[N-]N=N1)NCC1(SC2=CC=C(Br)C=C2)CC1	REAL300020217123	0	37	-1.0	-39.72	343.39	5.90	-33.82
O=C(CCC1=NN=N[N-]1)NCC1(SC2=CC=C(Br)C=C2)CC1	REAL300020217123	1	37	-1.0	-39.74	343.45	5.92	-33.82
CC(C)(C)OC(=O)N1CCCC2(CN(C(=O)CCC3=N[N-]N=N3)CCO2)C1	REAL300020217124	0	54	-1.0	-42.22	406.80	4.61	-37.61
CC(C)(C)OC(=O)N1CCCC2(CN(C(=O)CCC3=NN=N[N-]3)CCO2)C1	REAL300020217124	1	54	-1.0	-42.22	406.86	4.62	-37.60
CC(C)(C)OC(=O)NCCC1=CC=CC(NC(=O)CCC2=N[N-]N=N2)=C1	REAL300020217125	0	49	-1.0	-44.89	401.19	3.78	-41.11
CC(C)(C)OC(=O)NCCC1=CC=CC(NC(=O)CCC2=NN=N[N-]2)=C1	REAL300020217125	1	49	-1.0	-44.88	401.25	3.80	-41.08
CC(C)(C)OC(=O)NC1=CC=CC2=C1CN(C(=O)CCC1=N[N-]N=N1)CC2	REAL300020217126	0	50	-1.0	-43.26	393.59	5.43	-37.83
CC(C)(C)OC(=O)NC1=CC=CC2=C1CN(C(=O)CCC1=NN=N[N-]1)CC2	REAL300020217126	1	50	-1.0	-43.29	393.64	5.45	-37.84
O=C(CCC1=N[N-]N=N1)NCC1(C2=CC=CC=C2)CCCCO1	REAL300020217127	0	43	-1.0	-39.74	336.17	4.21	-35.53
O=C(CCC1=NN=N[N-]1)NCC1(C2=CC=CC=C2)CCCCO1	REAL300020217127	1	43	-1.0	-39.71	336.23	4.23	-35.48
CC(C)(C)OC(=O)NC12CC(CNC(=O)CCC3=N[N-]N=N3)(C1)C2	REAL300020217128	0	47	-1.0	-43.11	381.18	1.73	-41.38
CC(C)(C)OC(=O)NC12CC(CNC(=O)CCC3=NN=N[N-]3)(C1)C2	REAL300020217128	1	47	-1.0	-43.16	381.24	1.74	-41.42
CC(C)(C)OC(=O)N1CCC[C@@H]1CCCNC(=O)CCC1=N[N-]N=N1	REAL300020217129	0	52	-1.0	-45.43	407.81	4.36	-41.07
CC(C)(C)OC(=O)N1CCC[C@@H]1CCCNC(=O)CCC1=NN=N[N-]1	REAL300020217129	1	52	-1.0	-45.47	407.87	4.37	-41.10
CCOC(=O)C(NC(=O)CCC1=N[N-]N=N1)C1CCCCC1	REAL300020217130	0	44	-1.0	-42.61	347.26	4.91	-37.70
CCOC(=O)C(NC(=O)CCC1=NN=N[N-]1)C1CCCCC1	REAL300020217130	1	44	-1.0	-42.63	347.31	4.93	-37.70
CC(C)(C)OC(=O)[C@H]1[C@H](C2=CC=CC=C2)CN1C(=O)CCC1=N[N-]N=N1	REAL300020217131	0	48	-1.0	-46.22	388.82	8.34	-37.88
CC(C)(C)OC(=O)[C@H]1[C@H](C2=CC=CC=C2)CN1C(=O)CCC1=NN=N[N-]1	REAL300020217131	1	48	-1.0	-46.23	388.87	8.35	-37.88
COC(=O)C1=CC(OC(F)(F)F)=CC=C1NC(=O)CCC1=N[N-]N=N1	REAL300020217132	0	36	-1.0	-38.91	327.83	3.38	-35.53
COC(=O)C1=CC(OC(F)(F)F)=CC=C1NC(=O)CCC1=NN=N[N-]1	REAL300020217132	1	36	-1.0	-38.88	327.89	3.40	-35.48
COC(=O)C1=CC(OC(C)C)=CC=C1NC(=O)CCC1=N[N-]N=N1	REAL300020217133	0	42	-1.0	-41.17	353.31	4.50	-36.67
COC(=O)C1=CC(OC(C)C)=CC=C1NC(=O)CCC1=NN=N[N-]1	REAL300020217133	1	42	-1.0	-41.19	353.37	4.51	-36.68
CCC1=C2N=C(NC(=O)CCC3=NN=N[N-]3)SC2=CC=C1	REAL300020217134	0	34	-1.0	-40.68	305.96	4.60	-36.08
CCC1=C2N=C(NC(=O)CCC3=N[N-]N=N3)SC2=CC=C1	REAL300020217134	1	34	-1.0	-40.68	305.90	4.59	-36.09
CC1=C2OC(CNC(=O)CCC3=N[N-]N=N3)=CC2=CC(Br)=C1	REAL300020217135	0	35	-1.0	-39.54	328.17	4.48	-35.06
CC1=C2OC(CNC(=O)CCC3=NN=N[N-]3)=CC2=CC(Br)=C1	REAL300020217135	1	35	-1.0	-39.56	328.23	4.50	-35.06
O=C(CCC1=N[N-]N=N1)N1CCC2=C(Cl)C=C(Cl)C=C2C1	REAL300020217136	0	33	-1.0	-38.15	304.70	5.92	-32.23
O=C(CCC1=NN=N[N-]1)N1CCC2=C(Cl)C=C(Cl)C=C2C1	REAL300020217136	1	33	-1.0	-38.17	304.76	5.93	-32.24
CC(C)(C)OC(=O)N1CCC2(CCCC2CNC(=O)CCC2=N[N-]N=N2)CC1	REAL300020217137	0	59	-1.0	-43.71	435.68	5.64	-38.07
CC(C)(C)OC(=O)N1CCC2(CCCC2CNC(=O)CCC2=NN=N[N-]2)CC1	REAL300020217137	1	59	-1.0	-43.69	435.74	5.66	-38.03
CC(C)(C)OC(=O)N1CCC2(CCC2)C(CNC(=O)CCC2=N[N-]N=N2)C1	REAL300020217138	0	56	-1.0	-43.34	416.37	5.02	-38.32
CC(C)(C)OC(=O)N1CCC2(CCC2)C(CNC(=O)CCC2=NN=N[N-]2)C1	REAL300020217138	1	56	-1.0	-43.30	416.43	5.03	-38.27
COC1=CC(OC)=C2SC(NC(=O)CCC3=NN=N[N-]3)=NC2=C1	REAL300020217139	0	36	-1.0	-47.39	324.37	2.17	-45.22
COC1=CC(OC)=C2SC(NC(=O)CCC3=N[N-]N=N3)=NC2=C1	REAL300020217139	1	36	-1.0	-47.46	324.31	2.15	-45.31
CC(NC(=O)CCC1=N[N-]N=N1)C1=CC(F)=CC=C1N(C)C	REAL300020217140	0	40	-1.0	-40.00	333.49	3.54	-36.46
CC(NC(=O)CCC1=NN=N[N-]1)C1=CC(F)=CC=C1N(C)C	REAL300020217140	1	40	-1.0	-39.98	333.55	3.55	-36.43
COC1=CC=C2CC(C)N(C(=O)CCC3=N[N-]N=N3)CC2=C1	REAL300020217141	0	40	-1.0	-40.97	317.91	4.88	-36.09
COC1=CC=C2CC(C)N(C(=O)CCC3=NN=N[N-]3)CC2=C1	REAL300020217141	1	40	-1.0	-40.95	317.97	4.89	-36.06
CC1(C)C(C(F)(F)F)OCCN1C(=O)CCC1=N[N-]N=N1	REAL300020217142	0	36	-1.0	-37.46	287.90	2.57	-34.89
CC1(C)C(C(F)(F)F)OCCN1C(=O)CCC1=NN=N[N-]1	REAL300020217142	1	36	-1.0	-37.42	287.96	2.58	-34.84
O=C(CCC1=N[N-]N=N1)N1CCN2C(=NC3=C2CCCC3)C1	REAL300020217143	0	40	-1.0	-43.77	317.82	5.11	-38.66
O=C(CCC1=NN=N[N-]1)N1CCN2C(=NC3=C2CCCC3)C1	REAL300020217143	1	40	-1.0	-43.76	317.88	5.12	-38.64
CC(C)(C)OC(=O)N1CC2(CCC2)CC1CNC(=O)CCC1=N[N-]N=N1	REAL300020217144	0	53	-1.0	-44.69	413.55	4.70	-39.99
CC(C)(C)OC(=O)N1CC2(CCC2)CC1CNC(=O)CCC1=NN=N[N-]1	REAL300020217144	1	53	-1.0	-44.68	413.61	4.71	-39.97
CC1CCN(C(=O)OC(C)(C)C)C1CNC(=O)CCC1=N[N-]N=N1	REAL300020217145	0	49	-1.0	-44.72	383.10	4.12	-40.60
CC1CCN(C(=O)OC(C)(C)C)C1CNC(=O)CCC1=NN=N[N-]1	REAL300020217145	1	49	-1.0	-44.71	383.16	4.15	-40.56
O=C(CCC1=NN=N[N-]1)NC1=NC(C2=CC=C(Br)S2)=CS1	REAL300020217146	0	29	-1.0	-36.88	309.11	4.26	-32.62
O=C(CCC1=N[N-]N=N1)NC1=NC(C2=CC=C(Br)S2)=CS1	REAL300020217146	1	29	-1.0	-36.93	309.06	4.25	-32.68
O=C(CCC1=N[N-]N=N1)NCC(C1=CC=C(C(F)(F)F)C=C1)[NH+]1CCCC1	REAL300020217147	0	48	0.0	-65.97	392.62	6.80	-59.17
O=C(CCC1=NN=N[N-]1)NCC(C1=CC=C(C(F)(F)F)C=C1)[NH+]1CCCC1	REAL300020217147	1	48	0.0	-65.94	392.68	6.81	-59.13
CN1N=C(NC(=O)CCC2=N[N-]N=N2)C2=C1CCN(C(=O)OC(C)(C)C)C2	REAL300020217148	0	50	-1.0	-51.24	401.30	4.56	-46.68
CN1N=C(NC(=O)CCC2=NN=N[N-]2)C2=C1CCN(C(=O)OC(C)(C)C)C2	REAL300020217148	1	50	-1.0	-51.26	401.35	4.57	-46.69
CC(C)(C)OC(=O)N1CCC(NC(=O)CCC2=N[N-]N=N2)C2(CCC2)C1	REAL300020217149	0	53	-1.0	-40.29	403.52	4.96	-35.33
CC(C)(C)OC(=O)N1CCC(NC(=O)CCC2=NN=N[N-]2)C2(CCC2)C1	REAL300020217149	1	53	-1.0	-40.33	403.58	4.98	-35.35
CC1CN(C(=O)CCC2=N[N-]N=N2)C(C)(C)C(C(F)(F)F)O1	REAL300020217150	0	39	-1.0	-37.02	304.35	3.46	-33.56
CC1CN(C(=O)CCC2=NN=N[N-]2)C(C)(C)C(C(F)(F)F)O1	REAL300020217150	1	39	-1.0	-37.01	304.40	3.47	-33.54
C=CCC1(C(=O)OCC)CCN(C(=O)CCC2=N[N-]N=N2)C1	REAL300020217151	0	42	-1.0	-45.27	343.34	5.27	-40.00
C=CCC1(C(=O)OCC)CCN(C(=O)CCC2=NN=N[N-]2)C1	REAL300020217151	1	42	-1.0	-45.28	343.40	5.29	-39.99
COC(=O)C[C@@H](CC1CCCCC1)NC(=O)CCC1=N[N-]N=N1	REAL300020217152	0	47	-1.0	-41.74	370.55	5.36	-36.38
COC(=O)C[C@@H](CC1CCCCC1)NC(=O)CCC1=NN=N[N-]1	REAL300020217152	1	47	-1.0	-41.81	370.60	5.37	-36.44
COC(=O)C[C@H](CC1CCCCC1)NC(=O)CCC1=N[N-]N=N1	REAL300020217153	0	47	-1.0	-41.68	370.76	5.26	-36.42
COC(=O)C[C@H](CC1CCCCC1)NC(=O)CCC1=NN=N[N-]1	REAL300020217153	1	47	-1.0	-41.66	370.81	5.28	-36.38
CCOC(=O)CC(CC1CCCC1)NC(=O)CCC1=N[N-]N=N1	REAL300020217154	0	47	-1.0	-45.88	367.58	5.65	-40.23
CCOC(=O)CC(CC1CCCC1)NC(=O)CCC1=NN=N[N-]1	REAL300020217154	1	47	-1.0	-45.90	367.64	5.67	-40.23
O=C(CCC1=N[N-]N=N1)NC1=NC2=C(CC3=CC=CC=C32)S1	REAL300020217155	0	33	-1.0	-48.57	303.04	5.42	-43.15
O=C(CCC1=NN=N[N-]1)NC1=NC2=C(CC3=CC=CC=C32)S1	REAL300020217155	1	33	-1.0	-48.57	303.10	5.43	-43.14
O=C(CCC1=NN=N[N-]1)NC1=NC=C(CC2CCCOC2)S1	REAL300020217156	0	39	-1.0	-44.89	333.01	3.50	-41.39
O=C(CCC1=N[N-]N=N1)NC1=NC=C(CC2CCCOC2)S1	REAL300020217156	1	39	-1.0	-44.89	332.95	3.48	-41.41
O=C(CCC1=NN=N[N-]1)NC1=NC=C(CC2CCOCC2)S1	REAL300020217157	0	39	-1.0	-43.72	333.07	3.48	-40.24
O=C(CCC1=N[N-]N=N1)NC1=NC=C(CC2CCOCC2)S1	REAL300020217157	1	39	-1.0	-43.72	333.02	3.46	-40.26
O=C(CCC1=NN=N[N-]1)NC1=NC=C(CC2CCOC2)S1	REAL300020217158	0	36	-1.0	-44.89	317.76	2.86	-42.03
O=C(CCC1=N[N-]N=N1)NC1=NC=C(CC2CCOC2)S1	REAL300020217158	1	36	-1.0	-44.88	317.70	2.85	-42.03
CN(C(=O)CCC1=N[N-]N=N1)C1CCN(C(=O)OCC2=CC=CC=C2)C1	REAL300020217159	0	47	-1.0	-44.76	387.40	5.91	-38.85
CN(C(=O)CCC1=NN=N[N-]1)C1CCN(C(=O)OCC2=CC=CC=C2)C1	REAL300020217159	1	47	-1.0	-44.74	387.46	5.92	-38.82
CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NNC(=O)CCC1=N[N-]N=N1	REAL300020217160	0	47	-1.0	-48.06	384.34	1.80	-46.26
CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NNC(=O)CCC1=NN=N[N-]1	REAL300020217160	1	47	-1.0	-48.09	384.40	1.82	-46.27
CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)CCC1=N[N-]N=N1	REAL300020217161	0	51	-1.0	-46.95	372.61	6.99	-39.96
CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)CCC1=NN=N[N-]1	REAL300020217161	1	51	-1.0	-46.99	372.67	7.01	-39.98
O=C(CCC1=N[N-]N=N1)NCC1=CC=CC(S(=O)(=O)C(F)(F)F)=C1	REAL300020217162	0	35	-1.0	-43.20	338.05	0.81	-42.39
O=C(CCC1=NN=N[N-]1)NCC1=CC=CC(S(=O)(=O)C(F)(F)F)=C1	REAL300020217162	1	35	-1.0	-43.20	338.10	0.83	-42.37
O=C(CCC1=N[N-]N=N1)NN1C2=C(C=CC=C2)C2=C1C=CC=C2	REAL300020217163	0	36	-1.0	-44.38	316.63	6.55	-37.83
O=C(CCC1=NN=N[N-]1)NN1C2=C(C=CC=C2)C2=C1C=CC=C2	REAL300020217163	1	36	-1.0	-44.38	316.69	6.56	-37.82
CCOC(=O)C1=NN(C)C(NC(=O)CCC2=NN=N[N-]2)=C1C	REAL300020217164	0	38	-1.0	-39.77	324.77	3.11	-36.66
CCOC(=O)C1=NN(C)C(NC(=O)CCC2=N[N-]N=N2)=C1C	REAL300020217164	1	38	-1.0	-39.73	324.71	3.09	-36.64
O=C(CCC1=N[N-]N=N1)NC1=CC(C(F)(F)F)=C(F)C=C1O	REAL300020217165	0	30	-1.0	-40.03	286.11	0.89	-39.14
O=C(CCC1=NN=N[N-]1)NC1=CC(C(F)(F)F)=C(F)C=C1O	REAL300020217165	1	30	-1.0	-40.01	286.16	0.90	-39.11
O=C(CCC1=N[N-]N=N1)NC1=CC(C(F)(F)F)=C(F)C=C1[O-]	REAL300020217165	1	29	-2.0	-78.28	282.54	1.66	-76.62
O=C(CCC1=NN=N[N-]1)NC1=CC(C(F)(F)F)=C(F)C=C1[O-]	REAL300020217165	1	29	-2.0	-78.29	282.60	1.67	-76.62
COC(=O)CC(NC(=O)CCC1=N[N-]N=N1)C1=CC=CC=N1	REAL300020217166	0	37	-1.0	-45.01	326.75	2.73	-42.28
COC(=O)CC(NC(=O)CCC1=NN=N[N-]1)C1=CC=CC=N1	REAL300020217166	1	37	-1.0	-45.03	326.80	2.74	-42.29
O=C(CCC1=N[N-]N=N1)NNC1=CC=C(Br)N=N1	REAL300020217167	0	26	-1.0	-41.55	262.15	0.86	-40.69
O=C(CCC1=NN=N[N-]1)NNC1=CC=C(Br)N=N1	REAL300020217167	1	26	-1.0	-41.58	262.21	0.88	-40.70
O=C(CCC1=N[N-]N=N1)NN=C1NC2=CC=C(Br)C=C2S1	REAL300020217168	0	30	-1.0	-42.33	304.49	3.64	-38.69
O=C(CCC1=NN=N[N-]1)NN=C1NC2=CC=C(Br)C=C2S1	REAL300020217168	1	30	-1.0	-42.30	304.55	3.66	-38.64
CCOC(=O)C(CC1CCCCO1)NC(=O)CCC1=N[N-]N=N1	REAL300020217169	0	45	-1.0	-43.88	366.94	4.31	-39.57
CCOC(=O)C(CC1CCCCO1)NC(=O)CCC1=NN=N[N-]1	REAL300020217169	1	45	-1.0	-43.89	366.99	4.33	-39.56
CC1=CC=C(C(C[NH+](C)C)NC(=O)CCC2=N[N-]N=N2)C=C1	REAL300020217170	0	44	0.0	-54.92	350.85	5.49	-49.43
CC1=CC=C(C(C[NH+](C)C)NC(=O)CCC2=NN=N[N-]2)C=C1	REAL300020217170	1	44	0.0	-54.98	350.91	5.51	-49.47
CC1=NN(C2=CC=CC=C2)C(C)=C1CN(C)C(=O)CCC1=N[N-]N=N1	REAL300020217171	0	45	-1.0	-44.03	361.50	6.76	-37.27
CC1=NN(C2=CC=CC=C2)C(C)=C1CN(C)C(=O)CCC1=NN=N[N-]1	REAL300020217171	1	45	-1.0	-44.04	361.56	6.78	-37.26
COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)CCC1=N[N-]N=N1	REAL300020217172	0	42	-1.0	-47.68	317.84	4.93	-42.75
COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)CCC1=NN=N[N-]1	REAL300020217172	1	42	-1.0	-47.68	317.89	4.94	-42.74
CC(C)(C)OC(=O)[C@H]1CC[C@@H](NC(=O)CCC2=N[N-]N=N2)CC1	REAL300020217173	0	47	-1.0	-42.07	365.06	5.45	-36.62
CC(C)(C)OC(=O)[C@H]1CC[C@@H](NC(=O)CCC2=NN=N[N-]2)CC1	REAL300020217173	1	47	-1.0	-42.08	365.11	5.46	-36.62
O=C(CCC1=N[N-]N=N1)NNC1=C(F)C=C(F)C=C1I	REAL300020217174	0	28	-1.0	-37.49	286.34	3.61	-33.88
O=C(CCC1=NN=N[N-]1)NNC1=C(F)C=C(F)C=C1I	REAL300020217174	1	28	-1.0	-37.50	286.39	3.63	-33.87
O=C(CCC1=N[N-]N=N1)N1CCC(CCO)C2=CC=CC=C21	REAL300020217175	0	40	-1.0	-42.37	315.11	3.00	-39.37
O=C(CCC1=NN=N[N-]1)N1CCC(CCO)C2=CC=CC=C21	REAL300020217175	1	40	-1.0	-42.37	315.17	3.01	-39.36
O=C(CCC1=N[N-]N=N1)NC1=CC=C(N2C=CC=C2)C(Cl)=C1	REAL300020217176	0	34	-1.0	-41.44	310.25	5.96	-35.48
O=C(CCC1=NN=N[N-]1)NC1=CC=C(N2C=CC=C2)C(Cl)=C1	REAL300020217176	1	34	-1.0	-41.43	310.31	5.98	-35.45
O=C(CCC1=N[N-]N=N1)NC1=CC=CC(N2CCOCC2=O)=C1	REAL300020217177	0	38	-1.0	-47.09	322.81	1.98	-45.11
O=C(CCC1=NN=N[N-]1)NC1=CC=CC(N2CCOCC2=O)=C1	REAL300020217177	1	38	-1.0	-47.08	322.87	2.00	-45.08
CC1=CC=C(C)C2=C1OCC[C@@H]2NC(=O)CCC1=N[N-]N=N1	REAL300020217178	0	40	-1.0	-39.07	320.84	4.84	-34.23
CC1=CC=C(C)C2=C1OCC[C@@H]2NC(=O)CCC1=NN=N[N-]1	REAL300020217178	1	40	-1.0	-39.01	320.90	4.85	-34.16
CC(C)(C)C1CC2=CC(F)=CC=C2N(C(=O)CCC2=N[N-]N=N2)C1	REAL300020217179	0	45	-1.0	-38.46	343.88	7.32	-31.14
CC(C)(C)C1CC2=CC(F)=CC=C2N(C(=O)CCC2=NN=N[N-]2)C1	REAL300020217179	1	45	-1.0	-38.47	343.94	7.33	-31.14
O=C(CCC1=N[N-]N=N1)NCC1CCCC1N1CCCS1(=O)=O	REAL300020217180	0	44	-1.0	-50.12	345.55	1.02	-49.10
O=C(CCC1=NN=N[N-]1)NCC1CCCC1N1CCCS1(=O)=O	REAL300020217180	1	44	-1.0	-50.10	345.61	1.04	-49.06
O=C(CCC1=N[N-]N=N1)NC(C1=CC(Cl)=CC(Cl)=C1)C1CCCCC1	REAL300020217181	0	45	-1.0	-38.42	389.70	8.11	-30.31
O=C(CCC1=NN=N[N-]1)NC(C1=CC(Cl)=CC(Cl)=C1)C1CCCCC1	REAL300020217181	1	45	-1.0	-38.42	389.75	8.13	-30.29
O=C(CCC1=N[N-]N=N1)NCC1(O)CCOC2=CC=CC=C21	REAL300020217182	0	38	-1.0	-41.00	314.77	-0.04	-41.04
O=C(CCC1=NN=N[N-]1)NCC1(O)CCOC2=CC=CC=C21	REAL300020217182	1	38	-1.0	-41.03	314.83	-0.03	-41.06
O=C(CCC1=NN=N[N-]1)NC1=CC(N2CCCCC2)=CC=[NH+]1	REAL300020217183	0	41	0.0	-54.46	322.26	3.39	-51.07
O=C(CCC1=N[N-]N=N1)NC1=CC(N2CCCCC2)=CC=N1	REAL300020217183	1	40	-1.0	-43.16	320.98	3.53	-39.63
O=C(CCC1=NN=N[N-]1)NC1=CC(N2CCCCC2)=CC=N1	REAL300020217183	1	40	-1.0	-43.16	321.04	3.55	-39.61
CC1=CC=C(C)C2=C1OCC[C@H]2NC(=O)CCC1=N[N-]N=N1	REAL300020217184	0	40	-1.0	-39.16	321.25	4.86	-34.30
CC1=CC=C(C)C2=C1OCC[C@H]2NC(=O)CCC1=NN=N[N-]1	REAL300020217184	1	40	-1.0	-39.18	321.31	4.88	-34.30
O=C(CCC1=NN=N[N-]1)N1CCC2CC[N@H+](CC3=CC=CC=C3)C21	REAL300020217185	0	46	0.0	-52.53	356.76	7.78	-44.75
O=C(CCC1=NN=N[N-]1)N1CCC2CC[N@@H+](CC3=CC=CC=C3)C21	REAL300020217185	1	46	0.0	-48.64	344.47	7.34	-41.30
O=C(CCC1=N[N-]N=N1)N1CCC2CCN(CC3=CC=CC=C3)C21	REAL300020217185	1	45	-1.0	-42.23	350.73	4.88	-37.35
O=C(CCC1=NN=N[N-]1)N1CCC2CCN(CC3=CC=CC=C3)C21	REAL300020217185	1	45	-1.0	-42.22	350.79	4.90	-37.32
O=C(CCC1=N[N-]N=N1)NC1=CC=C(C2=CC(F)=C(F)C(F)=C2)C=C1	REAL300020217186	0	36	-1.0	-41.35	324.92	6.17	-35.18
O=C(CCC1=NN=N[N-]1)NC1=CC=C(C2=CC(F)=C(F)C(F)=C2)C=C1	REAL300020217186	1	36	-1.0	-41.37	324.97	6.18	-35.19
O=C(CCC1=N[N-]N=N1)N1CCCC12CCS(=O)(=O)CC2	REAL300020217187	0	39	-1.0	-47.09	298.83	1.31	-45.78
O=C(CCC1=NN=N[N-]1)N1CCCC12CCS(=O)(=O)CC2	REAL300020217187	1	39	-1.0	-47.10	298.89	1.32	-45.78
COC1=CC=C2CC=C(CCNC(=O)CCC3=N[N-]N=N3)C2=C1	REAL300020217188	0	41	-1.0	-44.68	346.31	4.59	-40.09
COC1=CC=C2CC=C(CCNC(=O)CCC3=NN=N[N-]3)C2=C1	REAL300020217188	1	41	-1.0	-44.65	346.37	4.60	-40.05
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CCOC(=O)C1=CC2=C(CN(C(=O)CCC3=N[N-]N=N3)CC2)S1	REAL300020217192	0	39	-1.0	-41.34	342.63	5.77	-35.57
CCOC(=O)C1=CC2=C(CN(C(=O)CCC3=NN=N[N-]3)CC2)S1	REAL300020217192	1	39	-1.0	-41.35	342.69	5.79	-35.56
CC(C)COC1=CC=C(CNC(=O)CCC2=N[N-]N=N2)C=C1	REAL300020217193	0	42	-1.0	-39.44	350.55	4.42	-35.02
CC(C)COC1=CC=C(CNC(=O)CCC2=NN=N[N-]2)C=C1	REAL300020217193	1	42	-1.0	-39.43	350.60	4.43	-35.00
CC(C)(C)OC(=O)[C@H]1CC[C@H](CNC(=O)CCC2=N[N-]N=N2)CC1	REAL300020217194	0	50	-1.0	-41.67	389.25	5.77	-35.90
CC(C)(C)OC(=O)[C@H]1CC[C@H](CNC(=O)CCC2=NN=N[N-]2)CC1	REAL300020217194	1	50	-1.0	-41.66	389.31	5.79	-35.87
O=C(CCC1=N[N-]N=N1)NCC1(CO)COCC2CCCCN21	REAL300020217195	0	46	-1.0	-40.39	345.25	-2.40	-42.79
O=C(CCC1=NN=N[N-]1)NCC1(CO)COCC2CCCCN21	REAL300020217195	1	46	-1.0	-40.40	345.30	-2.39	-42.79
O=C(CCC1=N[N-]N=N1)N(CC1=NC(=O)C2=C(C=CS2)N1)C1CC1	REAL300020217196	0	38	-1.0	-63.42	336.51	3.65	-59.77
O=C(CCC1=NN=N[N-]1)N(CC1=NC(=O)C2=C(C=CS2)N1)C1CC1	REAL300020217196	1	38	-1.0	-63.47	336.57	3.66	-59.81
C[NH+]1CCN(C2=CC=C(NC(=O)CCC3=N[N-]N=N3)C(OC(F)F)=C2)CC1	REAL300020217197	0	48	0.0	-67.06	381.37	3.35	-63.71
C[NH+]1CCN(C2=CC=C(NC(=O)CCC3=NN=N[N-]3)C(OC(F)F)=C2)CC1	REAL300020217197	1	48	0.0	-67.11	381.43	3.36	-63.75
CN1CCN(C2=CC=C(NC(=O)CCC3=N[N-]N=N3)C(OC(F)F)=C2)CC1	REAL300020217197	1	47	-1.0	-41.51	378.48	0.97	-40.54
CN1CCN(C2=CC=C(NC(=O)CCC3=NN=N[N-]3)C(OC(F)F)=C2)CC1	REAL300020217197	1	47	-1.0	-41.50	378.53	0.98	-40.52
O=C(CCC1=NN=N[N-]1)NC1=CC=C(NC(=O)C2CCC2)C=N1	REAL300020217198	0	39	-1.0	-46.72	330.60	3.27	-43.45
O=C(CCC1=N[N-]N=N1)NC1=CC=C(NC(=O)C2CCC2)C=N1	REAL300020217198	1	39	-1.0	-46.76	330.54	3.25	-43.51
COC1=CC=CC=C1[C@H]1[C@@H](O)CCN1C(=O)CCC1=N[N-]N=N1	REAL300020217199	0	41	-1.0	-45.31	335.31	2.31	-43.00
COC1=CC=CC=C1[C@H]1[C@@H](O)CCN1C(=O)CCC1=NN=N[N-]1	REAL300020217199	1	41	-1.0	-45.31	335.36	2.32	-42.99
C[C@@H](NC(=O)CCC1=N[N-]N=N1)C1=CSC2=CC=CC=C12	REAL300020217200	0	35	-1.0	-40.21	310.97	4.93	-35.28
C[C@@H](NC(=O)CCC1=NN=N[N-]1)C1=CSC2=CC=CC=C12	REAL300020217200	1	35	-1.0	-40.21	311.03	4.94	-35.27
CC(C)(C)OC(=O)C(C)(C)C1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1	REAL300020217201	0	50	-1.0	-43.93	395.95	6.93	-37.00
CC(C)(C)OC(=O)C(C)(C)C1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1	REAL300020217201	1	50	-1.0	-43.96	396.01	6.96	-37.00
COC(=O)C1CC([NH+](C)C)CN(C(=O)CCC2=N[N-]N=N2)C1	REAL300020217202	0	44	0.0	-62.16	343.53	4.44	-57.72
COC(=O)C1CC([NH+](C)C)CN(C(=O)CCC2=NN=N[N-]2)C1	REAL300020217202	1	44	0.0	-62.15	343.58	4.45	-57.70
COC1=CC(CNC(=O)CCC2=N[N-]N=N2)=CC(Cl)=C1OC	REAL300020217203	0	37	-1.0	-40.57	336.30	2.53	-38.04
COC1=CC(CNC(=O)CCC2=NN=N[N-]2)=CC(Cl)=C1OC	REAL300020217203	1	37	-1.0	-40.55	336.35	2.55	-38.00
CC1=CC=CC(N2CCC(NC(=O)CCC3=N[N-]N=N3)C2=O)=C1	REAL300020217204	0	40	-1.0	-52.31	333.76	3.79	-48.52
CC1=CC=CC(N2CCC(NC(=O)CCC3=NN=N[N-]3)C2=O)=C1	REAL300020217204	1	40	-1.0	-52.32	333.82	3.81	-48.51
C[C@@H]1C[C@H](NC(=O)C(F)(F)F)CCN1C(=O)CCC1=NN=N[N-]1	REAL300020217205	0	39	-1.0	-40.79	329.07	2.20	-38.59
C[C@@H]1C[C@H](NC(=O)C(F)(F)F)CCN1C(=O)CCC1=N[N-]N=N1	REAL300020217205	1	39	-1.0	-40.77	329.01	2.19	-38.58
C[C@@H]1C[C@H]([N-]C(=O)C(F)(F)F)CCN1C(=O)CCC1=N[N-]N=N1	REAL300020217205	1	38	-2.0	-78.10	322.63	0.57	-77.53
C[C@@H]1C[C@H]([N-]C(=O)C(F)(F)F)CCN1C(=O)CCC1=NN=N[N-]1	REAL300020217205	1	38	-2.0	-78.09	322.68	0.58	-77.51
CC(C)(C)OC(=O)CC1CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300020217206	0	47	-1.0	-41.76	362.48	6.14	-35.62
CC(C)(C)OC(=O)CC1CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020217206	1	47	-1.0	-41.75	362.54	6.16	-35.59
CC1=CC(NC(=O)CCC2=N[N-]N=N2)=NN1C1=CC=CC=C1F	REAL300020217207	0	36	-1.0	-46.89	316.66	5.31	-41.58
CC1=CC(NC(=O)CCC2=NN=N[N-]2)=NN1C1=CC=CC=C1F	REAL300020217207	1	36	-1.0	-46.89	316.72	5.33	-41.56
C[C@H](NC(=O)CCC1=N[N-]N=N1)C1=CSC2=CC=CC=C12	REAL300020217208	0	35	-1.0	-40.22	311.30	4.96	-35.26
C[C@H](NC(=O)CCC1=NN=N[N-]1)C1=CSC2=CC=CC=C12	REAL300020217208	1	35	-1.0	-40.19	311.36	4.97	-35.22
CCCCOC1=CC=C(C(C)NC(=O)CCC2=N[N-]N=N2)C=C1	REAL300020217209	0	45	-1.0	-39.67	369.41	5.35	-34.32
CCCCOC1=CC=C(C(C)NC(=O)CCC2=NN=N[N-]2)C=C1	REAL300020217209	1	45	-1.0	-39.66	369.47	5.36	-34.30
COC1=CC2=C(C=C1C)CN(C(=O)CCC1=N[N-]N=N1)CC2	REAL300020217210	0	40	-1.0	-40.66	323.57	5.03	-35.63
COC1=CC2=C(C=C1C)CN(C(=O)CCC1=NN=N[N-]1)CC2	REAL300020217210	1	40	-1.0	-40.66	323.63	5.04	-35.62
CC(C)(NC(=O)CCC1=NN=N[N-]1)C1=NC=C(Br)C=N1	REAL300020217211	0	33	-1.0	-38.67	299.84	2.17	-36.50
CC(C)(NC(=O)CCC1=N[N-]N=N1)C1=NC=C(Br)C=N1	REAL300020217211	1	33	-1.0	-38.68	299.78	2.15	-36.53
CN1C=CN=C1C(NC(=O)CCC1=N[N-]N=N1)C(F)(F)F	REAL300020217212	0	32	-1.0	-42.43	292.66	2.06	-40.37
CN1C=CN=C1C(NC(=O)CCC1=NN=N[N-]1)C(F)(F)F	REAL300020217212	1	32	-1.0	-42.46	292.72	2.08	-40.38
O=C(CCC1=N[N-]N=N1)NC1=CC(C2=CC=CC=C2)=CC=C1F	REAL300020217213	0	36	-1.0	-41.51	311.61	6.12	-35.39
O=C(CCC1=NN=N[N-]1)NC1=CC(C2=CC=CC=C2)=CC=C1F	REAL300020217213	1	36	-1.0	-41.50	311.67	6.13	-35.37
COC1=CC=CC(S(C)(=O)=NC(=O)CCC2=N[N-]N=N2)=C1	REAL300020217214	0	35	-1.0	-57.41	311.28	0.79	-56.62
COC1=CC=CC(S(C)(=O)=NC(=O)CCC2=NN=N[N-]2)=C1	REAL300020217214	1	35	-1.0	-57.39	311.33	0.81	-56.58
CC1=CC=CC(C(C[NH+](C)C)NC(=O)CCC2=N[N-]N=N2)=C1	REAL300020217215	0	44	0.0	-54.76	351.22	5.51	-49.25
CC1=CC=CC(C(C[NH+](C)C)NC(=O)CCC2=NN=N[N-]2)=C1	REAL300020217215	1	44	0.0	-54.83	351.27	5.52	-49.31
CC(C)(C)OC(=O)NCC1CCCCN(C(=O)CCC2=N[N-]N=N2)C1	REAL300020217216	0	52	-1.0	-41.72	396.13	4.41	-37.31
CC(C)(C)OC(=O)NCC1CCCCN(C(=O)CCC2=NN=N[N-]2)C1	REAL300020217216	1	52	-1.0	-41.74	396.19	4.43	-37.31
CN(C(=O)OC(C)(C)C)C1CC2CCC(C1)N2C(=O)CCC1=N[N-]N=N1	REAL300020217217	0	53	-1.0	-44.70	375.38	5.32	-39.38
CN(C(=O)OC(C)(C)C)C1CC2CCC(C1)N2C(=O)CCC1=NN=N[N-]1	REAL300020217217	1	53	-1.0	-44.70	375.44	5.34	-39.36
CC(C)(C)OC(=O)N1CCC2(C1)CCCCN2C(=O)CCC1=N[N-]N=N1	REAL300020217218	0	53	-1.0	-42.73	392.59	5.28	-37.45
CC(C)(C)OC(=O)N1CCC2(C1)CCCCN2C(=O)CCC1=NN=N[N-]1	REAL300020217218	1	53	-1.0	-42.70	392.65	5.30	-37.40
C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)CCC1=N[N-]N=N1	REAL300020217219	0	46	-1.0	-40.90	360.20	2.86	-38.04
C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)CCC1=NN=N[N-]1	REAL300020217219	1	46	-1.0	-40.87	360.26	2.87	-38.00
O=C(CCC1=N[N-]N=N1)NC1CC2(CCOC2)OC2=CC=CC=C21	REAL300020217220	0	42	-1.0	-41.52	336.37	2.53	-38.99
O=C(CCC1=NN=N[N-]1)NC1CC2(CCOC2)OC2=CC=CC=C21	REAL300020217220	1	42	-1.0	-41.51	336.43	2.55	-38.96
O=C(CCC1=N[N-]N=N1)NC1=CC(Br)=C2OCOC2=C1	REAL300020217221	0	29	-1.0	-40.73	279.17	1.85	-38.88
O=C(CCC1=NN=N[N-]1)NC1=CC(Br)=C2OCOC2=C1	REAL300020217221	1	29	-1.0	-40.72	279.23	1.86	-38.86
O=C(CCC1=N[N-]N=N1)NC1(CC2=CC=C(F)C=C2F)CC1	REAL300020217222	0	36	-1.0	-37.67	319.12	4.91	-32.76
O=C(CCC1=NN=N[N-]1)NC1(CC2=CC=C(F)C=C2F)CC1	REAL300020217222	1	36	-1.0	-37.66	319.18	4.92	-32.74
COC(=O)CCC(CNC(=O)CCC1=N[N-]N=N1)C(F)(F)F	REAL300020217223	0	37	-1.0	-43.93	326.05	3.08	-40.85
COC(=O)CCC(CNC(=O)CCC1=NN=N[N-]1)C(F)(F)F	REAL300020217223	1	37	-1.0	-43.90	326.11	3.10	-40.80
COC(=O)C1CCC(NC(=O)CCC2=N[N-]N=N2)C2=CC=CC=C21	REAL300020217224	0	42	-1.0	-43.16	338.72	5.08	-38.08
COC(=O)C1CCC(NC(=O)CCC2=NN=N[N-]2)C2=CC=CC=C21	REAL300020217224	1	42	-1.0	-43.19	338.78	5.09	-38.10
CN(C(=O)CCC1=N[N-]N=N1)C(C[NH+](C)C)C1=CC=CC=C1	REAL300020217225	0	44	0.0	-62.88	345.26	6.57	-56.31
CN(C(=O)CCC1=NN=N[N-]1)C(C[NH+](C)C)C1=CC=CC=C1	REAL300020217225	1	44	0.0	-62.89	345.31	6.59	-56.30
O=C(CCC1=N[N-]N=N1)N1CCC2(CC1)C(F)(F)C21CCC1	REAL300020217226	0	40	-1.0	-40.11	326.79	6.21	-33.90
O=C(CCC1=NN=N[N-]1)N1CCC2(CC1)C(F)(F)C21CCC1	REAL300020217226	1	40	-1.0	-40.10	326.84	6.23	-33.87
CC(C)(C)OC(=O)N1CCN(C(=O)CCC2=N[N-]N=N2)C(C2CC2)C1	REAL300020217227	0	50	-1.0	-39.46	384.22	5.52	-33.94
CC(C)(C)OC(=O)N1CCN(C(=O)CCC2=NN=N[N-]2)C(C2CC2)C1	REAL300020217227	1	50	-1.0	-39.41	384.28	5.54	-33.87
C[C@@H]1CCC[C@H](CNC(=O)OC(C)(C)C)N1C(=O)CCC1=N[N-]N=N1	REAL300020217228	0	52	-1.0	-44.28	383.00	4.56	-39.72
C[C@@H]1CCC[C@H](CNC(=O)OC(C)(C)C)N1C(=O)CCC1=NN=N[N-]1	REAL300020217228	1	52	-1.0	-44.26	383.06	4.58	-39.68
COC(=O)C12CCC1(C(=O)OC)CN(C(=O)CCC1=N[N-]N=N1)C2	REAL300020217229	0	42	-1.0	-43.24	352.83	4.39	-38.85
COC(=O)C12CCC1(C(=O)OC)CN(C(=O)CCC1=NN=N[N-]1)C2	REAL300020217229	1	42	-1.0	-43.29	352.88	4.41	-38.88
O=C(CCC1=N[N-]N=N1)N1CCCCCCNS(=O)(=O)CC1	REAL300020217230	0	43	-1.0	-44.06	339.65	1.13	-42.93
O=C(CCC1=NN=N[N-]1)N1CCCCCCNS(=O)(=O)CC1	REAL300020217230	1	43	-1.0	-44.03	339.71	1.14	-42.89
COC1=CC=C(CCNC(=O)CCC2=N[N-]N=N2)C=C1Br	REAL300020217231	0	36	-1.0	-42.58	329.01	3.43	-39.15
COC1=CC=C(CCNC(=O)CCC2=NN=N[N-]2)C=C1Br	REAL300020217231	1	36	-1.0	-42.55	329.07	3.44	-39.11
CN=S(=O)(C1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1)N(C)C	REAL300020217232	0	41	-1.0	-46.62	355.90	0.40	-46.22
CN=S(=O)(C1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1)N(C)C	REAL300020217232	1	41	-1.0	-46.66	355.95	0.42	-46.24
CN1C(CO)=NN=C1C1CCCN(C(=O)CCC2=N[N-]N=N2)C1	REAL300020217233	0	42	-1.0	-47.99	341.65	1.61	-46.38
CN1C(CO)=NN=C1C1CCCN(C(=O)CCC2=NN=N[N-]2)C1	REAL300020217233	1	42	-1.0	-48.03	341.71	1.62	-46.41
CC1=NN(C)C2=NC(C)=C(NC(=O)CCC3=N[N-]N=N3)C=C12	REAL300020217234	0	37	-1.0	-42.31	315.91	3.14	-39.17
CC1=NN(C)C2=NC(C)=C(NC(=O)CCC3=NN=N[N-]3)C=C12	REAL300020217234	1	37	-1.0	-42.34	315.97	3.15	-39.19
O=C(CCC1=N[N-]N=N1)N(CC1=CC=CC=C1)CC1(O)C[NH+]2CCC1CC2	REAL300020217235	0	53	0.0	-72.26	388.05	6.62	-65.64
O=C(CCC1=NN=N[N-]1)N(CC1=CC=CC=C1)CC1(O)C[NH+]2CCC1CC2	REAL300020217235	1	53	0.0	-72.24	388.10	6.63	-65.61
COC(=O)C1(NC(=O)CCC2=N[N-]N=N2)CCOC(C)(C)C1	REAL300020217236	0	42	-1.0	-42.87	325.63	2.59	-40.28
COC(=O)C1(NC(=O)CCC2=NN=N[N-]2)CCOC(C)(C)C1	REAL300020217236	1	42	-1.0	-42.90	325.69	2.61	-40.29
CCN(C(=O)CCC1=N[N-]N=N1)C1CCCN(C(=O)OC(C)(C)C)C1	REAL300020217237	0	52	-1.0	-42.41	393.82	5.82	-36.59
CCN(C(=O)CCC1=NN=N[N-]1)C1CCCN(C(=O)OC(C)(C)C)C1	REAL300020217237	1	52	-1.0	-42.41	393.87	5.83	-36.58
CC(C)(C)OC(=O)N1CCN(C(=O)CCC2=N[N-]N=N2)C(C)(C2CC2)C1	REAL300020217238	0	53	-1.0	-39.21	397.12	6.37	-32.84
CC(C)(C)OC(=O)N1CCN(C(=O)CCC2=NN=N[N-]2)C(C)(C2CC2)C1	REAL300020217238	1	53	-1.0	-39.23	397.17	6.39	-32.84
CC(C)(C)OC(=O)N1CCCC(N(C(=O)CCC2=N[N-]N=N2)C2CC2)C1	REAL300020217239	0	53	-1.0	-43.25	393.14	6.03	-37.22
CC(C)(C)OC(=O)N1CCCC(N(C(=O)CCC2=NN=N[N-]2)C2CC2)C1	REAL300020217239	1	53	-1.0	-43.25	393.20	6.04	-37.21
CC(C)(C)OC(=O)N1CCCC2C(NC(=O)CCC3=N[N-]N=N3)C21	REAL300020217240	0	47	-1.0	-43.74	364.33	4.22	-39.52
CC(C)(C)OC(=O)N1CCCC2C(NC(=O)CCC3=NN=N[N-]3)C21	REAL300020217240	1	47	-1.0	-43.73	364.39	4.23	-39.50
NS(=O)(=O)CC1=CC=CC=C1CNC(=O)CCC1=N[N-]N=N1	REAL300020217241	0	37	-1.0	-47.59	329.05	-1.44	-49.03
NS(=O)(=O)CC1=CC=CC=C1CNC(=O)CCC1=NN=N[N-]1	REAL300020217241	1	37	-1.0	-47.62	329.11	-1.42	-49.04
O=C(CCC1=N[N-]N=N1)NC1=NC2=C(CCOC2)N1C1CC1	REAL300020217242	0	38	-1.0	-47.93	310.28	4.85	-43.08
O=C(CCC1=NN=N[N-]1)NC1=NC2=C(CCOC2)N1C1CC1	REAL300020217242	1	38	-1.0	-47.92	310.33	4.87	-43.05
COC(=O)CC(CNC(=O)CCC1=N[N-]N=N1)C(F)(F)F	REAL300020217243	0	34	-1.0	-42.76	304.07	2.30	-40.46
COC(=O)CC(CNC(=O)CCC1=NN=N[N-]1)C(F)(F)F	REAL300020217243	1	34	-1.0	-42.79	304.13	2.32	-40.47
COC(=O)[C@]1(NC(=O)OC(C)(C)C)C[C@H](NC(=O)CCC2=N[N-]N=N2)C1	REAL300020217244	0	49	-1.0	-44.09	398.23	1.71	-42.38
COC(=O)[C@]1(NC(=O)OC(C)(C)C)C[C@H](NC(=O)CCC2=NN=N[N-]2)C1	REAL300020217244	1	49	-1.0	-44.11	398.28	1.73	-42.38
O=C(CCC1=NN=N[N-]1)N(CCCCO)CC1=CC=CC2=CN=CC=C21	REAL300020217245	0	47	-1.0	-44.38	384.63	4.89	-39.49
O=C(CCC1=N[N-]N=N1)N(CCCCO)CC1=CC=CC2=CN=CC=C21	REAL300020217245	1	47	-1.0	-44.34	384.57	4.87	-39.47
CC(C)NS(=O)(=O)C1=CC=CC=C1CNC(=O)CCC1=N[N-]N=N1	REAL300020217246	0	43	-1.0	-46.47	366.45	1.54	-44.93
CC(C)NS(=O)(=O)C1=CC=CC=C1CNC(=O)CCC1=NN=N[N-]1	REAL300020217246	1	43	-1.0	-46.45	366.51	1.55	-44.90
CC(C)(C)OC(=O)N1CC[C@@]2(NC(=O)CCC3=N[N-]N=N3)CCC[C@@H]12	REAL300020217247	0	50	-1.0	-40.09	383.93	3.75	-36.34
CC(C)(C)OC(=O)N1CC[C@@]2(NC(=O)CCC3=NN=N[N-]3)CCC[C@@H]12	REAL300020217247	1	50	-1.0	-40.07	383.99	3.76	-36.31
O=C(CCC1=N[N-]N=N1)N1CCCC1CC1=CC=CC(F)=C1F	REAL300020217248	0	39	-1.0	-40.27	326.19	6.40	-33.87
O=C(CCC1=NN=N[N-]1)N1CCCC1CC1=CC=CC(F)=C1F	REAL300020217248	1	39	-1.0	-40.29	326.24	6.42	-33.87
CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1N1C=C(NC(=O)CCC2=NN=N[N-]2)C=N1	REAL300020217249	0	51	-1.0	-45.36	409.80	0.83	-44.53
CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1N1C=C(NC(=O)CCC2=N[N-]N=N2)C=N1	REAL300020217249	1	51	-1.0	-45.34	409.74	0.81	-44.53
O=C(CCC1=N[N-]N=N1)NC1=CC=C(Cl)C2=C1C(=O)NC2	REAL300020217250	0	31	-1.0	-43.05	288.51	0.68	-42.37
O=C(CCC1=NN=N[N-]1)NC1=CC=C(Cl)C2=C1C(=O)NC2	REAL300020217250	1	31	-1.0	-43.04	288.56	0.69	-42.35
COC(=O)C[C@@H](CCC1=CC=CC=C1)NC(=O)CCC1=N[N-]N=N1	REAL300020217251	0	44	-1.0	-42.51	371.56	5.88	-36.63
COC(=O)C[C@@H](CCC1=CC=CC=C1)NC(=O)CCC1=NN=N[N-]1	REAL300020217251	1	44	-1.0	-42.54	371.62	5.88	-36.66
COC(=O)C[C@H](CCC1=CC=CC=C1)NC(=O)CCC1=N[N-]N=N1	REAL300020217252	0	44	-1.0	-42.60	371.82	5.86	-36.74
COC(=O)C[C@H](CCC1=CC=CC=C1)NC(=O)CCC1=NN=N[N-]1	REAL300020217252	1	44	-1.0	-42.60	371.88	5.87	-36.73
O=C(CCC1=N[N-]N=N1)NNC1=CC=C(I)C=C1	REAL300020217253	0	28	-1.0	-37.49	276.19	3.30	-34.19
O=C(CCC1=NN=N[N-]1)NNC1=CC=C(I)C=C1	REAL300020217253	1	28	-1.0	-37.48	276.24	3.32	-34.16
C[NH+](C)CCOC1=CC=CC=C1NC(=O)CCC1=N[N-]N=N1	REAL300020217254	0	42	0.0	-63.38	339.07	4.37	-59.01
C[NH+](C)CCOC1=CC=CC=C1NC(=O)CCC1=NN=N[N-]1	REAL300020217254	1	42	0.0	-63.41	339.12	4.39	-59.02
O=C(CCC1=N[N-]N=N1)NC1CCN(C(=O)C2=CC=CC=C2F)CC1	REAL300020217255	0	43	-1.0	-46.48	357.60	4.01	-42.47
O=C(CCC1=NN=N[N-]1)NC1CCN(C(=O)C2=CC=CC=C2F)CC1	REAL300020217255	1	43	-1.0	-46.49	357.66	4.03	-42.46
O=C(CCC1=N[N-]N=N1)NC1=CC=C2C(=C1)CCCN2C(=O)C1=CC=CC=C1	REAL300020217256	0	47	-1.0	-51.78	376.62	6.76	-45.02
O=C(CCC1=NN=N[N-]1)NC1=CC=C2C(=C1)CCCN2C(=O)C1=CC=CC=C1	REAL300020217256	1	47	-1.0	-51.80	376.67	6.77	-45.03
CSC1=CC=CC=C1CC(C)NC(=O)CCC1=N[N-]N=N1	REAL300020217257	0	39	-1.0	-41.67	335.42	5.22	-36.45
CSC1=CC=CC=C1CC(C)NC(=O)CCC1=NN=N[N-]1	REAL300020217257	1	39	-1.0	-41.65	335.48	5.23	-36.42
CC1CC(NC(=O)C(F)(F)F)CCN1C(=O)CCC1=NN=N[N-]1	REAL300020217258	0	39	-1.0	-40.56	324.75	2.60	-37.96
CC1CC(NC(=O)C(F)(F)F)CCN1C(=O)CCC1=N[N-]N=N1	REAL300020217258	1	39	-1.0	-40.55	324.69	2.59	-37.96
CC1CC([N-]C(=O)C(F)(F)F)CCN1C(=O)CCC1=N[N-]N=N1	REAL300020217258	1	38	-2.0	-78.13	322.62	0.57	-77.56
CC1CC([N-]C(=O)C(F)(F)F)CCN1C(=O)CCC1=NN=N[N-]1	REAL300020217258	1	38	-2.0	-78.14	322.68	0.58	-77.56
CC1(C)CC2=C(SC(NC(=O)CCC3=N[N-]N=N3)=N2)C(C)(C)O1	REAL300020217259	0	42	-1.0	-43.22	350.27	3.97	-39.25
CC1(C)CC2=C(SC(NC(=O)CCC3=NN=N[N-]3)=N2)C(C)(C)O1	REAL300020217259	1	42	-1.0	-43.23	350.33	3.99	-39.24
O=C(CCC1=N[N-]N=N1)NCC1CCCN1C1=CC=CC=C1	REAL300020217260	0	41	-1.0	-39.00	318.97	3.63	-35.37
O=C(CCC1=NN=N[N-]1)NCC1CCCN1C1=CC=CC=C1	REAL300020217260	1	41	-1.0	-39.01	319.03	3.65	-35.36
O=C(CCC1=N[N-]N=N1)NC(C1=CC=C(F)C(C(F)(F)F)=C1)C1CC1	REAL300020217261	0	39	-1.0	-39.99	344.37	6.02	-33.97
O=C(CCC1=NN=N[N-]1)NC(C1=CC=C(F)C(C(F)(F)F)=C1)C1CC1	REAL300020217261	1	39	-1.0	-40.00	344.43	6.03	-33.97
COC1=CC=C2C(CCNC(=O)CCC3=N[N-]N=N3)=CNC2=C1	REAL300020217262	0	40	-1.0	-44.45	340.42	2.81	-41.64
COC1=CC=C2C(CCNC(=O)CCC3=NN=N[N-]3)=CNC2=C1	REAL300020217262	1	40	-1.0	-44.46	340.48	2.82	-41.64
O=C(CCC1=N[N-]N=N1)NCC1(SC2=CC=C(Br)C=C2)CC1	REAL300020217263	0	37	-1.0	-39.72	343.39	5.90	-33.82
O=C(CCC1=NN=N[N-]1)NCC1(SC2=CC=C(Br)C=C2)CC1	REAL300020217263	1	37	-1.0	-39.74	343.45	5.92	-33.82
CCOC(=O)C(CC1=CSC2=CC=CC=C12)NC(=O)CCC1=N[N-]N=N1	REAL300020217264	0	44	-1.0	-45.87	391.30	6.86	-39.01
CCOC(=O)C(CC1=CSC2=CC=CC=C12)NC(=O)CCC1=NN=N[N-]1	REAL300020217264	1	44	-1.0	-45.89	391.36	6.88	-39.01
COCC(NC(=O)CCC1=N[N-]N=N1)C(=O)N1CCOCC1	REAL300020217265	0	41	-1.0	-43.14	336.87	-1.39	-44.53
COCC(NC(=O)CCC1=NN=N[N-]1)C(=O)N1CCOCC1	REAL300020217265	1	41	-1.0	-43.13	336.93	-1.38	-44.51
CC(C)(C)OC(=O)N[C@@H]1CCCN(C(=O)CCC2=N[N-]N=N2)C1	REAL300020217266	0	46	-1.0	-47.27	361.02	2.65	-44.62
CC(C)(C)OC(=O)N[C@@H]1CCCN(C(=O)CCC2=NN=N[N-]2)C1	REAL300020217266	1	46	-1.0	-47.29	361.08	2.66	-44.63
CC(C)(C)OC(=O)NC1CN(C(=O)CCC2=N[N-]N=N2)CC2(CCC2)C1	REAL300020217267	0	53	-1.0	-47.90	406.59	4.31	-43.59
CC(C)(C)OC(=O)NC1CN(C(=O)CCC2=NN=N[N-]2)CC2(CCC2)C1	REAL300020217267	1	53	-1.0	-47.87	406.64	4.32	-43.55
CC1(C)C(=O)N(C2=CC=C(F)C=C2)CCN1C(=O)CCC1=N[N-]N=N1	REAL300020217268	0	43	-1.0	-41.20	350.46	5.59	-35.61
CC1(C)C(=O)N(C2=CC=C(F)C=C2)CCN1C(=O)CCC1=NN=N[N-]1	REAL300020217268	1	43	-1.0	-41.18	350.52	5.60	-35.58
CC(C)(C)C1=COC([C@H]2CCCN2C(=O)CCC2=N[N-]N=N2)=N1	REAL300020217269	0	44	-1.0	-45.37	358.06	2.87	-42.50
CC(C)(C)C1=COC([C@H]2CCCN2C(=O)CCC2=NN=N[N-]2)=N1	REAL300020217269	1	44	-1.0	-45.42	358.11	2.88	-42.54
CC[NH+]1CCN(C2=CC=C(C(F)(F)F)C=C2NC(=O)CCC2=N[N-]N=N2)CC1	REAL300020217270	0	50	0.0	-68.42	402.32	5.91	-62.51
CC[NH+]1CCN(C2=CC=C(C(F)(F)F)C=C2NC(=O)CCC2=NN=N[N-]2)CC1	REAL300020217270	1	50	0.0	-68.41	402.38	5.92	-62.49
CCN1CCN(C2=CC=C(C(F)(F)F)C=C2NC(=O)CCC2=N[N-]N=N2)CC1	REAL300020217270	1	49	-1.0	-39.27	399.04	3.54	-35.73
CC(C)(C)OC(=O)N1CCC(NC(=O)CCC2=N[N-]N=N2)C(F)C1	REAL300020217271	0	46	-1.0	-41.29	368.89	3.14	-38.15
CC(C)(C)OC(=O)N1CCC(NC(=O)CCC2=NN=N[N-]2)C(F)C1	REAL300020217271	1	46	-1.0	-41.29	368.94	3.15	-38.14
O=C(CCC1=N[N-]N=N1)NC1(C(F)(F)F)CCN(CC2=CC=CC=C2)C1	REAL300020217272	0	44	-1.0	-39.95	361.26	3.22	-36.73
O=C(CCC1=NN=N[N-]1)NC1(C(F)(F)F)CCN(CC2=CC=CC=C2)C1	REAL300020217272	1	44	-1.0	-39.98	361.31	3.24	-36.74
O=C(CCC1=N[N-]N=N1)NC1(C(F)(F)F)CC[N@H+](CC2=CC=CC=C2)C1	REAL300020217272	1	45	0.0	-68.40	364.85	5.77	-62.63
O=C(CCC1=N[N-]N=N1)NC1(C(F)(F)F)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300020217272	1	45	0.0	-68.57	364.71	5.77	-62.80
O=C(CCC1=NN=N[N-]1)NC1(C(F)(F)F)CC[N@H+](CC2=CC=CC=C2)C1	REAL300020217272	1	45	0.0	-68.36	364.90	5.78	-62.58
O=C(CCC1=NN=N[N-]1)NC1(C(F)(F)F)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300020217272	1	45	0.0	-68.59	364.77	5.78	-62.81
CCOC(=O)C1=C(Cl)N=C(NC(=O)CCC2=N[N-]N=N2)[N-]1	REAL300020217273	0	31	-2.0	-85.14	301.86	3.41	-81.73
CCOC(=O)C1=C(Cl)[N-]C(NC(=O)CCC2=N[N-]N=N2)=N1	REAL300020217273	1	31	-2.0	-85.77	302.75	3.44	-82.33
CCOC(=O)C1=C(Cl)N=C(NC(=O)CCC2=NN=N[N-]2)[N-]1	REAL300020217273	1	31	-2.0	-85.16	301.92	3.43	-81.73
CCOC(=O)C1=C(Cl)[N-]C(NC(=O)CCC2=NN=N[N-]2)=N1	REAL300020217273	1	31	-2.0	-85.78	302.81	3.45	-82.33
CC(C)(C)OC(=O)N1CCC(C2(NC(=O)CCC3=N[N-]N=N3)CC2)C1	REAL300020217274	0	50	-1.0	-43.20	384.93	3.79	-39.41
CC(C)(C)OC(=O)N1CCC(C2(NC(=O)CCC3=NN=N[N-]3)CC2)C1	REAL300020217274	1	50	-1.0	-43.19	384.99	3.80	-39.39
O=C(CCC1=N[N-]N=N1)NCC(=O)OCC1C2=CC=CC=C2C2=CC=CC=C21	REAL300020217275	0	46	-1.0	-42.14	394.94	7.78	-34.36
O=C(CCC1=NN=N[N-]1)NCC(=O)OCC1C2=CC=CC=C2C2=CC=CC=C21	REAL300020217275	1	46	-1.0	-42.16	394.99	7.80	-34.36
O=C(CCC1=N[N-]N=N1)N1CCN(C2=NNC(C3=CC=CN=C3)=C2)CC1	REAL300020217276	0	44	-1.0	-44.36	361.71	2.95	-41.41
O=C(CCC1=NN=N[N-]1)N1CCN(C2=NNC(C3=CC=CN=C3)=C2)CC1	REAL300020217276	1	44	-1.0	-44.37	361.76	2.97	-41.40
O=C(CCC1=N[N-]N=N1)N1CCC2(CC2Br)CC1	REAL300020217277	0	33	-1.0	-39.64	285.97	4.74	-34.90
O=C(CCC1=NN=N[N-]1)N1CCC2(CC2Br)CC1	REAL300020217277	1	33	-1.0	-39.66	286.03	4.76	-34.90
CC1=NN=C(SCC2CCCN2C(=O)CCC2=N[N-]N=N2)S1	REAL300020217278	0	38	-1.0	-43.65	338.33	3.98	-39.67
CC1=NN=C(SCC2CCCN2C(=O)CCC2=NN=N[N-]2)S1	REAL300020217278	1	38	-1.0	-43.64	338.38	3.99	-39.65
COC(=O)C1CCS(=O)(=NC(=O)CCC2=N[N-]N=N2)CC1	REAL300020217279	0	37	-1.0	-59.13	319.06	1.52	-57.61
COC(=O)C1CCS(=O)(=NC(=O)CCC2=NN=N[N-]2)CC1	REAL300020217279	1	37	-1.0	-59.14	319.12	1.53	-57.61
O=C(CCC1=N[N-]N=N1)NC1CCCC2=CC=C(Br)C=C2C1	REAL300020217280	0	39	-1.0	-42.96	334.08	5.59	-37.37
O=C(CCC1=NN=N[N-]1)NC1CCCC2=CC=C(Br)C=C2C1	REAL300020217280	1	39	-1.0	-42.93	334.13	5.61	-37.32
CC1=CC=CC=C1N(CC1=CC=CC=C1)C(=O)CCC1=N[N-]N=N1	REAL300020217281	0	42	-1.0	-40.03	346.92	8.88	-31.15
CC1=CC=CC=C1N(CC1=CC=CC=C1)C(=O)CCC1=NN=N[N-]1	REAL300020217281	1	42	-1.0	-40.02	346.99	8.90	-31.12
CC(C)(C)OC(=O)N1CCN(CC(C)(C)NC(=O)CCC2=N[N-]N=N2)CC1	REAL300020217282	0	57	-1.0	-42.04	425.46	4.13	-37.91
CC(C)(C)OC(=O)N1CCN(CC(C)(C)NC(=O)CCC2=NN=N[N-]2)CC1	REAL300020217282	1	57	-1.0	-42.04	425.52	4.15	-37.89
CC(C)(C)OC(=O)N1CCC2(CC1)CC(NC(=O)CCC1=N[N-]N=N1)CCO2	REAL300020217283	0	57	-1.0	-43.00	428.20	3.80	-39.20
CC(C)(C)OC(=O)N1CCC2(CC1)CC(NC(=O)CCC1=NN=N[N-]1)CCO2	REAL300020217283	1	57	-1.0	-43.00	428.25	3.81	-39.19
CC(C)(C)OC(=O)N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)CCC2=N[N-]N=N2)C1	REAL300020217284	0	50	-1.0	-46.41	397.10	-0.93	-47.34
CC(C)(C)OC(=O)N[C@@H]1C[C@@H](O)[C@@H](CNC(=O)CCC2=NN=N[N-]2)C1	REAL300020217284	1	50	-1.0	-46.45	397.16	-0.92	-47.37
O=C(CCC1=N[N-]N=N1)NCC1CC(=O)N(C2=CC=CC=C2)C1	REAL300020217285	0	40	-1.0	-46.16	333.77	3.70	-42.46
O=C(CCC1=NN=N[N-]1)NCC1CC(=O)N(C2=CC=CC=C2)C1	REAL300020217285	1	40	-1.0	-46.17	333.82	3.71	-42.46
CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CCC2=N[N-]N=N2)C1	REAL300020217286	0	47	-1.0	-47.29	378.79	-0.42	-47.71
CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNC(=O)CCC2=NN=N[N-]2)C1	REAL300020217286	1	47	-1.0	-47.29	378.85	-0.40	-47.69
CC(C)C(NC(=O)CCC1=N[N-]N=N1)C1=CC=C(Br)C=C1	REAL300020217287	0	38	-1.0	-38.18	327.31	5.23	-32.95
CC(C)C(NC(=O)CCC1=NN=N[N-]1)C1=CC=C(Br)C=C1	REAL300020217287	1	38	-1.0	-38.21	327.37	5.24	-32.97
O=C(CCC1=N[N-]N=N1)N[N-]C(=O)C1=NOC2=C1COCC2	REAL300020217288	0	33	-2.0	-97.52	300.20	-1.72	-99.24
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CC(C)(C)OC(=O)N1CC2(CC2)CC1CNC(=O)CCC1=N[N-]N=N1	REAL300020217306	0	50	-1.0	-45.23	398.34	4.24	-40.99
CC(C)(C)OC(=O)N1CC2(CC2)CC1CNC(=O)CCC1=NN=N[N-]1	REAL300020217306	1	50	-1.0	-45.25	398.40	4.25	-41.00
CC(C)C(NC(=O)CCC1=N[N-]N=N1)C1=CC=C(Br)C=C1	REAL300020217307	0	38	-1.0	-38.18	327.31	5.23	-32.95
CC(C)C(NC(=O)CCC1=NN=N[N-]1)C1=CC=C(Br)C=C1	REAL300020217307	1	38	-1.0	-38.21	327.37	5.24	-32.97
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CC(C)(C)C[C@@H]1CN(C(=O)CCC2=N[N-]N=N2)C[C@H]1NC(=O)OC(C)(C)C	REAL300020217309	0	58	-1.0	-44.43	436.76	4.76	-39.67
CC(C)(C)C[C@@H]1CN(C(=O)CCC2=NN=N[N-]2)C[C@H]1NC(=O)OC(C)(C)C	REAL300020217309	1	58	-1.0	-44.45	436.81	4.77	-39.68
C[C@@H]1CC2=C(Cl)C=CC=C2[C@@H]1NC(=O)CCC1=N[N-]N=N1	REAL300020217310	0	36	-1.0	-39.40	312.37	5.23	-34.17
C[C@@H]1CC2=C(Cl)C=CC=C2[C@@H]1NC(=O)CCC1=NN=N[N-]1	REAL300020217310	1	36	-1.0	-39.39	312.42	5.25	-34.14
C[C@@H]1CO[C@@H](C2=CC=CC=C2)CN1C(=O)CCC1=N[N-]N=N1	REAL300020217311	0	40	-1.0	-38.84	321.18	4.89	-33.95
C[C@@H]1CO[C@@H](C2=CC=CC=C2)CN1C(=O)CCC1=NN=N[N-]1	REAL300020217311	1	40	-1.0	-38.81	321.24	4.90	-33.91
COC(=O)CCCCC(NC(=O)CCC1=N[N-]N=N1)C(F)(F)F	REAL300020217312	0	40	-1.0	-43.10	352.46	4.15	-38.95
COC(=O)CCCCC(NC(=O)CCC1=NN=N[N-]1)C(F)(F)F	REAL300020217312	1	40	-1.0	-43.11	352.51	4.17	-38.94
COC(=O)C1=CC(CNC(=O)CCC2=N[N-]N=N2)=C(Cl)S1	REAL300020217313	0	32	-1.0	-41.08	319.37	2.94	-38.14
COC(=O)C1=CC(CNC(=O)CCC2=NN=N[N-]2)=C(Cl)S1	REAL300020217313	1	32	-1.0	-41.10	319.43	2.95	-38.15
COC(=O)CC1CC2(CCC2)CN1C(=O)CCC1=N[N-]N=N1	REAL300020217314	0	42	-1.0	-40.62	339.81	5.26	-35.36
COC(=O)CC1CC2(CCC2)CN1C(=O)CCC1=NN=N[N-]1	REAL300020217314	1	42	-1.0	-40.59	339.87	5.27	-35.32
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CN(CC1CN(C(=O)OCC2=CC=CC=C2)C1)C(=O)CCC1=NN=N[N-]1	REAL300020217315	1	47	-1.0	-45.65	396.33	6.11	-39.54
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O=C(CCC1=N[N-]N=N1)N=S(=O)(C1=CC=CC=C1)C1=CC=CC=C1	REAL300020217320	0	38	-1.0	-53.01	343.35	4.95	-48.06
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CCCCCN(CC1=C(C)N(C)N=C1C)C(=O)CCC1=N[N-]N=N1	REAL300020217321	0	50	-1.0	-46.36	385.81	6.31	-40.05
CCCCCN(CC1=C(C)N(C)N=C1C)C(=O)CCC1=NN=N[N-]1	REAL300020217321	1	50	-1.0	-46.34	385.85	6.33	-40.01
CC(C)(C)OC(=O)N1C[C@@H](NC(=O)CCC2=NN=N[N-]2)[C@@H](N2C=CC=N2)C1	REAL300020217322	0	50	-1.0	-41.89	402.43	4.27	-37.62
CC(C)(C)OC(=O)N1C[C@@H](NC(=O)CCC2=N[N-]N=N2)[C@@H](N2C=CC=N2)C1	REAL300020217322	1	50	-1.0	-41.87	402.37	4.25	-37.62
CN(CC1=CC(F)=CC(C(F)(F)F)=C1)C(=O)CCC1=N[N-]N=N1	REAL300020217323	0	35	-1.0	-40.44	319.92	5.87	-34.57
CN(CC1=CC(F)=CC(C(F)(F)F)=C1)C(=O)CCC1=NN=N[N-]1	REAL300020217323	1	35	-1.0	-40.46	319.98	5.88	-34.58
COC(=O)C1C2=CC=CC(C)=C2CCN1C(=O)CCC1=N[N-]N=N1	REAL300020217324	0	42	-1.0	-45.98	339.12	6.97	-39.01
COC(=O)C1C2=CC=CC(C)=C2CCN1C(=O)CCC1=NN=N[N-]1	REAL300020217324	1	42	-1.0	-45.94	339.17	6.99	-38.95
CC(C)[C@@H]1C[C@H](CNC(=O)CCC2=N[N-]N=N2)C2=CC=CC=C21	REAL300020217325	0	45	-1.0	-39.80	351.01	6.58	-33.22
CC(C)[C@@H]1C[C@H](CNC(=O)CCC2=NN=N[N-]2)C2=CC=CC=C21	REAL300020217325	1	45	-1.0	-39.81	351.07	6.59	-33.22
CCCN(C(=O)CCC1=N[N-]N=N1)C1=CC=C(C)C(Cl)=C1	REAL300020217326	0	38	-1.0	-38.80	330.03	6.99	-31.81
CCCN(C(=O)CCC1=NN=N[N-]1)C1=CC=C(C)C(Cl)=C1	REAL300020217326	1	38	-1.0	-38.80	330.08	7.00	-31.80
O=C(CCC1=N[N-]N=N1)N1CCCC1C1=CC(Cl)=CC(Cl)=C1	REAL300020217327	0	36	-1.0	-40.22	332.71	7.16	-33.06
O=C(CCC1=NN=N[N-]1)N1CCCC1C1=CC(Cl)=CC(Cl)=C1	REAL300020217327	1	36	-1.0	-40.23	332.77	7.18	-33.05
CC1=CC(Cl)=CN2C=C(CNC(=O)CCC3=N[N-]N=N3)N=C12	REAL300020217328	0	35	-1.0	-42.81	322.72	4.28	-38.53
CC1=CC(Cl)=CN2C=C(CNC(=O)CCC3=NN=N[N-]3)N=C12	REAL300020217328	1	35	-1.0	-42.83	322.78	4.30	-38.53
CN(CC1=CC=C(C2=CSC=C2)C=C1)C(=O)CCC1=N[N-]N=N1	REAL300020217329	0	39	-1.0	-42.13	340.32	7.23	-34.90
CN(CC1=CC=C(C2=CSC=C2)C=C1)C(=O)CCC1=NN=N[N-]1	REAL300020217329	1	39	-1.0	-42.07	340.38	7.25	-34.82
O=C(CCC1=N[N-]N=N1)NC1=CC(Cl)=C2OCCOC2=C1	REAL300020217330	0	32	-1.0	-42.05	291.99	2.28	-39.77
O=C(CCC1=NN=N[N-]1)NC1=CC(Cl)=C2OCCOC2=C1	REAL300020217330	1	32	-1.0	-42.10	292.04	2.29	-39.81
CC(C)(C)OC(=O)N1CC2(CC1CNC(=O)CCC1=N[N-]N=N1)CCOCC2	REAL300020217331	0	57	-1.0	-45.23	434.33	3.30	-41.93
CC(C)(C)OC(=O)N1CC2(CC1CNC(=O)CCC1=NN=N[N-]1)CCOCC2	REAL300020217331	1	57	-1.0	-45.26	434.39	3.32	-41.94
CC(C)N1CC[C@@H](NC(=O)CCC2=N[N-]N=N2)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300020217332	0	47	-1.0	-40.80	381.95	4.31	-36.49
CC(C)N1CC[C@@H](NC(=O)CCC2=NN=N[N-]2)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300020217332	1	47	-1.0	-40.83	382.01	4.33	-36.50
CC(C)[N@@H+]1CC[C@@H](NC(=O)CCC2=N[N-]N=N2)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300020217332	1	48	0.0	-67.25	373.26	5.48	-61.77
CC(C)[N@H+]1CC[C@@H](NC(=O)CCC2=N[N-]N=N2)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300020217332	1	48	0.0	-67.83	383.66	6.34	-61.49
CC(C)[N@@H+]1CC[C@@H](NC(=O)CCC2=NN=N[N-]2)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300020217332	1	48	0.0	-67.21	373.31	5.49	-61.72
CC(C)[N@H+]1CC[C@@H](NC(=O)CCC2=NN=N[N-]2)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300020217332	1	48	0.0	-67.84	383.71	6.35	-61.49
CC(C)(C)OC(=O)C1N(C(=O)CCC2=N[N-]N=N2)CC1(C)C	REAL300020217333	0	44	-1.0	-47.26	351.31	6.09	-41.17
CC(C)(C)OC(=O)C1N(C(=O)CCC2=NN=N[N-]2)CC1(C)C	REAL300020217333	1	44	-1.0	-47.31	351.37	6.10	-41.21
O=C(CCC1=N[N-]N=N1)N1CCC(F)(CC2=CC=CC=C2)CC1	REAL300020217334	0	42	-1.0	-39.56	337.07	6.98	-32.58
O=C(CCC1=NN=N[N-]1)N1CCC(F)(CC2=CC=CC=C2)CC1	REAL300020217334	1	42	-1.0	-39.55	337.12	6.99	-32.56
COC(=O)C1CC(CNC(=O)OC(C)(C)C)CN(C(=O)CCC2=N[N-]N=N2)C1	REAL300020217335	0	55	-1.0	-42.99	435.63	3.93	-39.06
COC(=O)C1CC(CNC(=O)OC(C)(C)C)CN(C(=O)CCC2=NN=N[N-]2)C1	REAL300020217335	1	55	-1.0	-43.01	435.69	3.94	-39.07
CC(C)N1CC[C@@H](NC(=O)CCC2=N[N-]N=N2)[C@@H]1C1=CC=C(Cl)C(F)=C1	REAL300020217336	0	47	-1.0	-40.09	391.84	4.75	-35.34
CC(C)N1CC[C@@H](NC(=O)CCC2=NN=N[N-]2)[C@@H]1C1=CC=C(Cl)C(F)=C1	REAL300020217336	1	47	-1.0	-40.08	391.90	4.77	-35.31
CC(C)[N@@H+]1CC[C@@H](NC(=O)CCC2=NN=N[N-]2)[C@@H]1C1=CC=C(Cl)C(F)=C1	REAL300020217336	1	48	0.0	-65.97	383.21	5.94	-60.03
CC(C)[N@H+]1CC[C@@H](NC(=O)CCC2=NN=N[N-]2)[C@@H]1C1=CC=C(Cl)C(F)=C1	REAL300020217336	1	48	0.0	-66.54	393.60	6.80	-59.74
CC(C)(C)N1CC[C@@H](NC(=O)CCC2=N[N-]N=N2)[C@@H]1C1=CC=C(Cl)C(F)=C1	REAL300020217337	0	50	-1.0	-39.61	405.59	5.24	-34.37
CC(C)(C)N1CC[C@@H](NC(=O)CCC2=NN=N[N-]2)[C@@H]1C1=CC=C(Cl)C(F)=C1	REAL300020217337	1	50	-1.0	-39.60	405.65	5.25	-34.35
CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)CCC2=N[N-]N=N2)[C@@H]1C1=CC=C(Cl)C(F)=C1	REAL300020217337	1	51	0.0	-63.92	383.81	5.81	-58.11
CC(C)(C)[N@H+]1CC[C@@H](NC(=O)CCC2=N[N-]N=N2)[C@@H]1C1=CC=C(Cl)C(F)=C1	REAL300020217337	1	51	0.0	-63.08	401.36	7.18	-55.90
CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)CCC2=NN=N[N-]2)[C@@H]1C1=CC=C(Cl)C(F)=C1	REAL300020217337	1	51	0.0	-63.93	383.86	5.82	-58.11
CC(C)(C)[N@H+]1CC[C@@H](NC(=O)CCC2=NN=N[N-]2)[C@@H]1C1=CC=C(Cl)C(F)=C1	REAL300020217337	1	51	0.0	-63.09	401.42	7.20	-55.89
CC(C)(C)OC(=O)N1CCC(C2=CC(NC(=O)CCC3=N[N-]N=N3)=NN2)CC1	REAL300020217338	0	53	-1.0	-43.02	417.53	4.50	-38.52
CC(C)(C)OC(=O)N1CCC(C2=CC(NC(=O)CCC3=NN=N[N-]3)=NN2)CC1	REAL300020217338	1	53	-1.0	-43.05	417.59	4.52	-38.53
CC(C)C1C2=CC(F)=CC=C2CCN1C(=O)CCC1=N[N-]N=N1	REAL300020217339	0	42	-1.0	-39.69	331.02	7.04	-32.65
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CC(C)(C)C1=CC=C(C2CN(C(=O)CCC3=N[N-]N=N3)CCN2)C=C1	REAL300020217341	0	50	-1.0	-39.99	384.61	5.27	-34.72
CC(C)(C)C1=CC=C(C2CN(C(=O)CCC3=NN=N[N-]3)CCN2)C=C1	REAL300020217341	1	50	-1.0	-39.99	384.67	5.28	-34.71
C[NH+]1CCC(NC(=O)CCC2=N[N-]N=N2)(C2=CC=CC=C2)CC1	REAL300020217342	0	45	0.0	-65.37	343.20	6.08	-59.29
C[NH+]1CCC(NC(=O)CCC2=NN=N[N-]2)(C2=CC=CC=C2)CC1	REAL300020217342	1	45	0.0	-65.33	343.26	6.10	-59.23
C[N@@H+]1CC[C@@H](NC(=O)CCC2=N[N-]N=N2)[C@@H]1C1=CC=CC=C1	REAL300020217343	0	42	0.0	-62.33	327.73	4.44	-57.89
C[N@H+]1CC[C@@H](NC(=O)CCC2=N[N-]N=N2)[C@@H]1C1=CC=CC=C1	REAL300020217343	1	42	0.0	-62.55	337.30	5.14	-57.41
C[N@@H+]1CC[C@@H](NC(=O)CCC2=NN=N[N-]2)[C@@H]1C1=CC=CC=C1	REAL300020217343	1	42	0.0	-62.33	327.79	4.45	-57.88
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CC1CCCC1N(CCC1=CC=CC=N1)C(=O)CCC1=N[N-]N=N1	REAL300020217344	0	47	-1.0	-44.05	369.35	7.01	-37.04
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COC(=O)C1=CC2=C(C=C1F)CCN(C(=O)CCC1=NN=N[N-]1)C2	REAL300020217345	1	39	-1.0	-43.68	333.40	5.67	-38.01
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CC(=O)NC1=CC=CC(NC(=O)CNC(=O)CCC2=NN=N[N-]2)=C1	REAL300020217346	1	40	-1.0	-47.83	346.94	-0.01	-47.84
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CC(C)NC(=O)CN1C=C(NC(=O)CCC2=NN=N[N-]2)C=N1	REAL300020217348	0	39	-1.0	-54.78	334.88	0.57	-54.21
CC(C)NC(=O)CN1C=C(NC(=O)CCC2=N[N-]N=N2)C=N1	REAL300020217348	1	39	-1.0	-54.76	334.82	0.56	-54.20
CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)CCC1=N[N-]N=N1	REAL300020217349	0	47	-1.0	-44.58	379.39	1.48	-43.10
CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)CCC1=NN=N[N-]1	REAL300020217349	1	47	-1.0	-44.60	379.44	1.50	-43.10
CC1CCC2=C(C1)SC(CNC(=O)CCC1=N[N-]N=N1)=N2	REAL300020217350	0	38	-1.0	-40.04	326.90	3.04	-37.00
CC1CCC2=C(C1)SC(CNC(=O)CCC1=NN=N[N-]1)=N2	REAL300020217350	1	38	-1.0	-40.05	326.96	3.06	-36.99
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CC(CC(=O)NC1=CC=CC=C1)NC(=O)CCC1=N[N-]N=N1	REAL300020217352	0	39	-1.0	-51.12	331.96	2.85	-48.27
CC(CC(=O)NC1=CC=CC=C1)NC(=O)CCC1=NN=N[N-]1	REAL300020217352	1	39	-1.0	-51.08	332.02	2.86	-48.22
CC(NC(=O)CCC1=N[N-]N=N1)C(C)C1=CC=CC=C1Cl	REAL300020217353	0	38	-1.0	-38.90	327.12	5.18	-33.72
CC(NC(=O)CCC1=NN=N[N-]1)C(C)C1=CC=CC=C1Cl	REAL300020217353	1	38	-1.0	-38.89	327.17	5.20	-33.69
C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)CCC1=N[N-]N=N1	REAL300020217354	0	46	-1.0	-42.28	365.12	3.14	-39.14
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CC(C)(C)OC(=O)N1CCC2(CCC2)C(NC(=O)CCC2=NN=N[N-]2)C1	REAL300020217356	1	53	-1.0	-46.30	404.05	4.81	-41.49
CN1CC2(CN(C(=O)CCC3=N[N-]N=N3)C2)C(F)(F)C1=O	REAL300020217357	0	34	-1.0	-43.78	300.03	1.74	-42.04
CN1CC2(CN(C(=O)CCC3=NN=N[N-]3)C2)C(F)(F)C1=O	REAL300020217357	1	34	-1.0	-43.81	300.09	1.75	-42.06
COC(=O)C1CN(C(=O)CCC2=N[N-]N=N2)CC(OC)(OC)C1	REAL300020217358	0	43	-1.0	-39.89	344.05	2.35	-37.54
COC(=O)C1CN(C(=O)CCC2=NN=N[N-]2)CC(OC)(OC)C1	REAL300020217358	1	43	-1.0	-39.89	344.11	2.36	-37.53
CC(CC1=CNC2=CC(F)=C(F)C=C12)NC(=O)CCC1=N[N-]N=N1	REAL300020217359	0	39	-1.0	-45.44	344.04	4.52	-40.92
CC(CC1=CNC2=CC(F)=C(F)C=C12)NC(=O)CCC1=NN=N[N-]1	REAL300020217359	1	39	-1.0	-45.40	344.09	4.54	-40.86
CCOC(=O)C(CC1CC=CCC1)NC(=O)CCC1=N[N-]N=N1	REAL300020217360	0	45	-1.0	-43.52	367.42	5.72	-37.80
CCOC(=O)C(CC1CC=CCC1)NC(=O)CCC1=NN=N[N-]1	REAL300020217360	1	45	-1.0	-43.48	367.47	5.73	-37.75
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CCOC(=O)C(CC1=CC=CC(F)=C1)NC(=O)CCC1=N[N-]N=N1	REAL300020217362	0	41	-1.0	-44.87	359.54	5.66	-39.21
CCOC(=O)C(CC1=CC=CC(F)=C1)NC(=O)CCC1=NN=N[N-]1	REAL300020217362	1	41	-1.0	-44.89	359.59	5.67	-39.22
COC(=O)C(NC(=O)CCC1=N[N-]N=N1)C1(C(F)(F)F)CC1	REAL300020217363	0	35	-1.0	-40.29	314.66	3.51	-36.78
COC(=O)C(NC(=O)CCC1=NN=N[N-]1)C1(C(F)(F)F)CC1	REAL300020217363	1	35	-1.0	-40.29	314.72	3.52	-36.77
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CN(CC1=CC=CC(OC(F)F)=C1)C(=O)CCC1=N[N-]N=N1	REAL300020217365	0	36	-1.0	-44.89	314.00	4.39	-40.50
CN(CC1=CC=CC(OC(F)F)=C1)C(=O)CCC1=NN=N[N-]1	REAL300020217365	1	36	-1.0	-44.86	314.05	4.40	-40.46
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CC1=CC=CC(N2CCCC(NC(=O)CCC3=N[N-]N=N3)C2=O)=C1	REAL300020217367	0	43	-1.0	-50.88	355.81	4.62	-46.26
CC1=CC=CC(N2CCCC(NC(=O)CCC3=NN=N[N-]3)C2=O)=C1	REAL300020217367	1	43	-1.0	-50.88	355.87	4.64	-46.24
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O=C(CCC1=NN=N[N-]1)NCCC(O)(C(F)(F)F)C(F)(F)F	REAL300020217368	1	32	-1.0	-40.30	293.34	-0.76	-41.06
CC1CC2=C(Cl)C=CC=C2C1NC(=O)CCC1=N[N-]N=N1	REAL300020217369	0	36	-1.0	-39.50	315.63	4.98	-34.52
CC1CC2=C(Cl)C=CC=C2C1NC(=O)CCC1=NN=N[N-]1	REAL300020217369	1	36	-1.0	-39.50	315.69	4.99	-34.51
O=C(CCC1=N[N-]N=N1)NCC(O)(C1=CC=CC=C1Cl)C(F)(F)F	REAL300020217370	0	36	-1.0	-43.17	321.08	1.65	-41.52
O=C(CCC1=NN=N[N-]1)NCC(O)(C1=CC=CC=C1Cl)C(F)(F)F	REAL300020217370	1	36	-1.0	-43.20	321.13	1.66	-41.54
O=C(CCC1=N[N-]N=N1)N1CCC[NH+](CC2=CC=CC=C2)CCC1	REAL300020217371	0	48	0.0	-57.34	352.46	8.14	-49.20
O=C(CCC1=NN=N[N-]1)N1CCC[NH+](CC2=CC=CC=C2)CCC1	REAL300020217371	1	48	0.0	-57.36	352.51	8.15	-49.21
CC(C)(C)OC(=O)NC1=CC=C2C(=C1)CCCN2C(=O)CCC1=N[N-]N=N1	REAL300020217372	0	50	-1.0	-46.08	390.18	5.41	-40.67
CC(C)(C)OC(=O)NC1=CC=C2C(=C1)CCCN2C(=O)CCC1=NN=N[N-]1	REAL300020217372	1	50	-1.0	-46.07	390.24	5.42	-40.65
O=C(CCC1=NN=N[N-]1)N1CCC(O)(CN2C=CN=N2)CC1	REAL300020217373	0	39	-1.0	-45.06	315.32	0.68	-44.38
O=C(CCC1=N[N-]N=N1)N1CCC(O)(CN2C=CN=N2)CC1	REAL300020217373	1	39	-1.0	-45.03	315.26	0.66	-44.37
COC(=O)C1(C2=CCN(C(=O)CCC3=N[N-]N=N3)CC2)CCOCC1	REAL300020217374	0	47	-1.0	-41.73	357.67	4.49	-37.24
COC(=O)C1(C2=CCN(C(=O)CCC3=NN=N[N-]3)CC2)CCOCC1	REAL300020217374	1	47	-1.0	-41.72	357.73	4.50	-37.22
CC1=CSC(SCC2CCN(C(=O)CCC3=N[N-]N=N3)CC2)=N1	REAL300020217375	0	42	-1.0	-43.29	362.27	5.27	-38.02
CC1=CSC(SCC2CCN(C(=O)CCC3=NN=N[N-]3)CC2)=N1	REAL300020217375	1	42	-1.0	-43.31	362.33	5.28	-38.03
CCN1C2=C(C=CC=C2)C2=C1C=CC(N(C)C(=O)CCC1=N[N-]N=N1)=C2	REAL300020217376	0	45	-1.0	-45.67	375.34	9.03	-36.64
CCN1C2=C(C=CC=C2)C2=C1C=CC(N(C)C(=O)CCC1=NN=N[N-]1)=C2	REAL300020217376	1	45	-1.0	-45.68	375.40	9.04	-36.64
COC(=O)C1CC(C(=O)OC)CN(C(=O)CCC2=N[N-]N=N2)C1	REAL300020217377	0	41	-1.0	-41.83	344.76	4.06	-37.77
COC(=O)C1CC(C(=O)OC)CN(C(=O)CCC2=NN=N[N-]2)C1	REAL300020217377	1	41	-1.0	-41.86	344.82	4.08	-37.78
O=C(CCC1=N[N-]N=N1)N1CCS(=O)(=O)N2CCCC21	REAL300020217378	0	35	-1.0	-43.37	294.90	-0.08	-43.45
O=C(CCC1=NN=N[N-]1)N1CCS(=O)(=O)N2CCCC21	REAL300020217378	1	35	-1.0	-43.34	294.96	-0.06	-43.40
CC(C)(C)OC(=O)N1CCC2(CCOC2)C(CNC(=O)CCC2=N[N-]N=N2)C1	REAL300020217379	0	57	-1.0	-45.80	424.63	3.18	-42.62
CC(C)(C)OC(=O)N1CCC2(CCOC2)C(CNC(=O)CCC2=NN=N[N-]2)C1	REAL300020217379	1	57	-1.0	-45.81	424.69	3.20	-42.61
CC1(C)[C@H](OC2=CC=CC=C2)C[C@@H]1NC(=O)CCC1=N[N-]N=N1	REAL300020217380	0	43	-1.0	-41.04	346.31	5.32	-35.72
CC1(C)[C@H](OC2=CC=CC=C2)C[C@@H]1NC(=O)CCC1=NN=N[N-]1	REAL300020217380	1	43	-1.0	-41.01	346.37	5.33	-35.68
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](CNC(=O)CCC3=N[N-]N=N3)[C@@H]2C1	REAL300020217381	0	50	-1.0	-44.04	394.47	3.94	-40.10
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](CNC(=O)CCC3=NN=N[N-]3)[C@@H]2C1	REAL300020217381	1	50	-1.0	-44.02	394.53	3.96	-40.06
O=C(CCC1=N[N-]N=N1)NC1=CC=C(Br)C2=C1CCO2	REAL300020217382	0	31	-1.0	-39.50	287.70	3.04	-36.46
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COC1=CC(NC(=O)CCC2=N[N-]N=N2)=CC=C1N1CCCCC1=O	REAL300020217383	0	44	-1.0	-46.52	362.90	3.90	-42.62
COC1=CC(NC(=O)CCC2=NN=N[N-]2)=CC=C1N1CCCCC1=O	REAL300020217383	1	44	-1.0	-46.54	362.96	3.92	-42.62
COC(=O)C1=C2CN(C(=O)CCC3=N[N-]N=N3)CCN2C=C1	REAL300020217384	0	37	-1.0	-46.32	314.57	4.36	-41.96
COC(=O)C1=C2CN(C(=O)CCC3=NN=N[N-]3)CCN2C=C1	REAL300020217384	1	37	-1.0	-46.34	314.63	4.38	-41.96
CCN(C(=O)OC(C)(C)C)C1CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300020217385	0	52	-1.0	-46.27	395.88	5.82	-40.45
CCN(C(=O)OC(C)(C)C)C1CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020217385	1	52	-1.0	-46.23	395.94	5.83	-40.40
COC(=O)C1=NOC2(C1)CCCN(C(=O)CCC1=N[N-]N=N1)C2	REAL300020217386	0	40	-1.0	-47.90	334.74	2.92	-44.98
COC(=O)C1=NOC2(C1)CCCN(C(=O)CCC1=NN=N[N-]1)C2	REAL300020217386	1	40	-1.0	-47.90	334.80	2.94	-44.96
CC1=C(CN(C)C2CCN(C(=O)CCC3=N[N-]N=N3)C2)N=CO1	REAL300020217387	0	43	-1.0	-45.61	345.03	-0.28	-45.89
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NC1=NC(NC2CCN(C(=O)CCC3=N[N-]N=N3)CC2)=NN1	REAL300020217408	0	39	-1.0	-44.61	321.82	3.99	-40.62
NC1=NC(NC2CCN(C(=O)CCC3=NN=N[N-]3)CC2)=NN1	REAL300020217408	1	39	-1.0	-44.62	321.88	4.00	-40.62
NC1=NNC(NC2CCN(C(=O)CCC3=N[N-]N=N3)CC2)=N1	REAL300020217408	1	39	-1.0	-44.29	320.67	3.92	-40.37
NC1=NNC(NC2CCN(C(=O)CCC3=NN=N[N-]3)CC2)=N1	REAL300020217408	1	39	-1.0	-44.27	320.73	3.94	-40.33
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COCC(CO)(NC(=O)CCC1=NN=N[N-]1)C1=CC=CC=C1	REAL300020217409	1	40	-1.0	-41.35	327.00	-0.05	-41.40
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CC(C)(C)OC(=O)NC[C@@H]1COC[C@H]1NC(=O)CCC1=NN=N[N-]1	REAL300020217410	1	47	-1.0	-43.95	378.90	-0.33	-44.28
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CC(C)(C)OC(=O)NCC12CCC(CC1)CN2C(=O)CCC1=NN=N[N-]1	REAL300020217411	1	53	-1.0	-47.17	396.09	4.38	-42.79
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CC(CC1CCN(C(=O)OC(C)(C)C)CC1)NC(=O)CCC1=NN=N[N-]1	REAL300020217413	1	55	-1.0	-44.42	422.06	5.35	-39.07
CCN1CC[C@@H](NC(=O)CCC2=N[N-]N=N2)[C@@H]1C1=CC=C(Cl)C(F)=C1	REAL300020217414	0	44	-1.0	-40.31	377.99	4.43	-35.88
CCN1CC[C@@H](NC(=O)CCC2=NN=N[N-]2)[C@@H]1C1=CC=C(Cl)C(F)=C1	REAL300020217414	1	44	-1.0	-40.34	378.04	4.44	-35.90
COC(=O)COCC1CCCN(C(=O)CCC2=N[N-]N=N2)C1	REAL300020217415	0	42	-1.0	-50.86	345.76	4.20	-46.66
COC(=O)COCC1CCCN(C(=O)CCC2=NN=N[N-]2)C1	REAL300020217415	1	42	-1.0	-50.88	345.82	4.21	-46.67
CCOC(=O)C12CC(C)(C1)OC21CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300020217416	0	50	-1.0	-44.79	387.36	5.21	-39.58
CCOC(=O)C12CC(C)(C1)OC21CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020217416	1	50	-1.0	-44.79	387.42	5.22	-39.57
O=C(CCC1=N[N-]N=N1)N1COC[C@@]2(COC[C@@H]3CCCN32)C1	REAL300020217417	0	44	-1.0	-41.79	329.05	-0.35	-42.14
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CC1(C)CN(C(=O)CCC2=N[N-]N=N2)C2=CC(F)=C(Br)C=C21	REAL300020217418	0	36	-1.0	-40.45	319.55	6.25	-34.20
CC1(C)CN(C(=O)CCC2=NN=N[N-]2)C2=CC(F)=C(Br)C=C21	REAL300020217418	1	36	-1.0	-40.48	319.61	6.26	-34.22
O=C(CCC1=N[N-]N=N1)NNC1=CC(C(F)(F)F)=NC(C2=CC=CC=C2)=N1	REAL300020217419	0	39	-1.0	-39.31	360.70	5.67	-33.64
O=C(CCC1=NN=N[N-]1)NNC1=CC(C(F)(F)F)=NC(C2=CC=CC=C2)=N1	REAL300020217419	1	39	-1.0	-39.32	360.75	5.68	-33.64
CCOC(=O)C(CC(F)(F)F)NC(=O)CCC1=N[N-]N=N1	REAL300020217420	0	34	-1.0	-41.79	300.15	2.49	-39.30
CCOC(=O)C(CC(F)(F)F)NC(=O)CCC1=NN=N[N-]1	REAL300020217420	1	34	-1.0	-41.80	300.21	2.51	-39.29
CCOC(=O)C(CC1CCOC1)NC(=O)CCC1=N[N-]N=N1	REAL300020217421	0	42	-1.0	-39.90	337.12	2.14	-37.76
CCOC(=O)C(CC1CCOC1)NC(=O)CCC1=NN=N[N-]1	REAL300020217421	1	42	-1.0	-39.92	337.18	2.15	-37.77
COC(=O)C(NC(=O)CCC1=N[N-]N=N1)C1=CC=C(OCC(F)F)C=C1	REAL300020217422	0	42	-1.0	-47.47	373.54	4.30	-43.17
COC(=O)C(NC(=O)CCC1=NN=N[N-]1)C1=CC=C(OCC(F)F)C=C1	REAL300020217422	1	42	-1.0	-47.51	373.60	4.32	-43.19
CC1(C)OC2=CC(Br)=C(CNC(=O)CCC3=N[N-]N=N3)C=C2O1	REAL300020217423	0	38	-1.0	-40.38	343.97	3.58	-36.80
CC1(C)OC2=CC(Br)=C(CNC(=O)CCC3=NN=N[N-]3)C=C2O1	REAL300020217423	1	38	-1.0	-40.33	344.01	3.59	-36.74
COC1=CC(CNC(=O)OC(C)(C)C)=CC=C1NC(=O)CCC1=N[N-]N=N1	REAL300020217424	0	50	-1.0	-42.40	407.40	2.46	-39.94
COC1=CC(CNC(=O)OC(C)(C)C)=CC=C1NC(=O)CCC1=NN=N[N-]1	REAL300020217424	1	50	-1.0	-42.43	407.46	2.47	-39.96
CC(C)(C)OC(=O)NC(C)(CNC(=O)CCC1=NN=N[N-]1)CN1C=CC=N1	REAL300020217425	0	52	-1.0	-41.70	410.85	2.42	-39.28
CC(C)(C)OC(=O)NC(C)(CNC(=O)CCC1=N[N-]N=N1)CN1C=CC=N1	REAL300020217425	1	52	-1.0	-41.71	410.79	2.41	-39.30
CN1CC[C@@H](NC(=O)CCC2=N[N-]N=N2)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300020217426	0	41	-1.0	-40.80	349.38	3.35	-37.45
CN1CC[C@@H](NC(=O)CCC2=NN=N[N-]2)[C@@H]1C1=CC=C(F)C(F)=C1	REAL300020217426	1	41	-1.0	-40.85	349.44	3.37	-37.48
CN1CC[C@@H](NC(=O)CCC2=N[N-]N=N2)[C@@H]1C1=CC=C(Cl)C(F)=C1	REAL300020217427	0	41	-1.0	-40.09	359.27	3.80	-36.29
CN1CC[C@@H](NC(=O)CCC2=NN=N[N-]2)[C@@H]1C1=CC=C(Cl)C(F)=C1	REAL300020217427	1	41	-1.0	-40.08	359.33	3.82	-36.26
COC(=O)C1(C2CCN(C(=O)CCC3=N[N-]N=N3)CC2)CCOCC1	REAL300020217428	0	49	-1.0	-45.03	358.42	4.29	-40.74
COC(=O)C1(C2CCN(C(=O)CCC3=NN=N[N-]3)CC2)CCOCC1	REAL300020217428	1	49	-1.0	-45.06	358.48	4.32	-40.74
COC(=O)C1CCSC12CN(C(=O)CCC1=N[N-]N=N1)C2	REAL300020217429	0	37	-1.0	-45.96	321.67	4.05	-41.91
COC(=O)C1CCSC12CN(C(=O)CCC1=NN=N[N-]1)C2	REAL300020217429	1	37	-1.0	-46.01	321.73	4.06	-41.95
COC(=O)C12CC1C1(CN(C(=O)CCC3=N[N-]N=N3)C1)OC2	REAL300020217430	0	38	-1.0	-42.34	328.62	2.67	-39.67
COC(=O)C12CC1C1(CN(C(=O)CCC3=NN=N[N-]3)C1)OC2	REAL300020217430	1	38	-1.0	-42.33	328.68	2.68	-39.65
N#CC1(C2=CC=CC=C2)CC2(CN(C(=O)CCC3=N[N-]N=N3)C2)C1	REAL300020217431	0	41	-1.0	-46.67	351.42	6.74	-39.93
N#CC1(C2=CC=CC=C2)CC2(CN(C(=O)CCC3=NN=N[N-]3)C2)C1	REAL300020217431	1	41	-1.0	-46.65	351.48	6.76	-39.89
CCCOC1=C2N=C(NC(=O)CCC3=NN=N[N-]3)SC2=CC=C1	REAL300020217432	0	38	-1.0	-42.97	336.17	4.15	-38.82
CCCOC1=C2N=C(NC(=O)CCC3=N[N-]N=N3)SC2=CC=C1	REAL300020217432	1	38	-1.0	-42.99	336.11	4.13	-38.86
CC(C)(C)OC(=O)N1CCS(=O)(=NC(=O)CCC2=N[N-]N=N2)CC1	REAL300020217433	0	45	-1.0	-53.59	368.76	1.76	-51.83
CC(C)(C)OC(=O)N1CCS(=O)(=NC(=O)CCC2=NN=N[N-]2)CC1	REAL300020217433	1	45	-1.0	-53.60	368.82	1.78	-51.82
CC1(C)C(CNC(=O)CCC2=N[N-]N=N2)CCS1(=O)=O	REAL300020217434	0	38	-1.0	-47.33	313.38	-0.47	-47.80
CC1(C)C(CNC(=O)CCC2=NN=N[N-]2)CCS1(=O)=O	REAL300020217434	1	38	-1.0	-47.34	313.44	-0.46	-47.80
O=C(CCC1=NN=N[N-]1)NCCN1C=C(C2CCOC2)C=N1	REAL300020217435	0	40	-1.0	-45.93	337.05	1.33	-44.60
O=C(CCC1=N[N-]N=N1)NCCN1C=C(C2CCOC2)C=N1	REAL300020217435	1	40	-1.0	-45.95	336.99	1.32	-44.63
CC(C)(C)OC(=O)NCC1=CC=C2C(=C1)OCCN2C(=O)CCC1=N[N-]N=N1	REAL300020217436	0	51	-1.0	-42.09	407.67	3.91	-38.18
CC(C)(C)OC(=O)NCC1=CC=C2C(=C1)OCCN2C(=O)CCC1=NN=N[N-]1	REAL300020217436	1	51	-1.0	-42.07	407.73	3.93	-38.14
CC(CC1=CC=C(C(C)(C)C)C=C1)CN(C)C(=O)CCC1=N[N-]N=N1	REAL300020217437	0	53	-1.0	-40.76	405.25	9.03	-31.73
CC(CC1=CC=C(C(C)(C)C)C=C1)CN(C)C(=O)CCC1=NN=N[N-]1	REAL300020217437	1	53	-1.0	-40.73	405.30	9.05	-31.68
CN1CC[C@@H](NC(=O)CCC2=N[N-]N=N2)[C@@H]1C1=CC=C(Cl)C=C1	REAL300020217438	0	41	-1.0	-39.04	353.43	3.75	-35.29
CN1CC[C@@H](NC(=O)CCC2=NN=N[N-]2)[C@@H]1C1=CC=C(Cl)C=C1	REAL300020217438	1	41	-1.0	-39.04	353.49	3.77	-35.27
C[N@@H+]1CC[C@@H](NC(=O)CCC2=N[N-]N=N2)[C@@H]1C1=CC=C(Cl)C=C1	REAL300020217438	1	42	0.0	-66.44	345.64	4.93	-61.51
C[N@H+]1CC[C@@H](NC(=O)CCC2=N[N-]N=N2)[C@@H]1C1=CC=C(Cl)C=C1	REAL300020217438	1	42	0.0	-65.80	353.45	5.70	-60.10
C[N@@H+]1CC[C@@H](NC(=O)CCC2=NN=N[N-]2)[C@@H]1C1=CC=C(Cl)C=C1	REAL300020217438	1	42	0.0	-66.47	345.69	4.95	-61.52
C[N@H+]1CC[C@@H](NC(=O)CCC2=NN=N[N-]2)[C@@H]1C1=CC=C(Cl)C=C1	REAL300020217438	1	42	0.0	-65.80	353.51	5.72	-60.08
COC(=O)[C@@H]1C[C@H]1C1CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300020217439	0	42	-1.0	-44.94	341.63	5.61	-39.33
COC(=O)[C@@H]1C[C@H]1C1CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020217439	1	42	-1.0	-44.94	341.69	5.63	-39.31
COC(=O)C1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1Br	REAL300020217440	0	32	-1.0	-43.75	302.75	3.71	-40.04
COC(=O)C1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1Br	REAL300020217440	1	32	-1.0	-43.74	302.81	3.72	-40.02
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CCC(NC(=O)CNC(=O)CCC1=N[N-]N=N1)C1=CC=CC=C1	REAL300020217443	0	42	-1.0	-41.46	347.88	2.65	-38.81
CCC(NC(=O)CNC(=O)CCC1=NN=N[N-]1)C1=CC=CC=C1	REAL300020217443	1	42	-1.0	-41.48	347.94	2.67	-38.81
COC1=CC=CC([C@@H]2[C@@H](NC(=O)CCC3=N[N-]N=N3)CC[N@@H+]2C2CC2)=C1	REAL300020217445	0	50	0.0	-60.24	391.30	5.19	-55.05
COC1=CC=CC([C@@H]2[C@@H](NC(=O)CCC3=N[N-]N=N3)CC[N@H+]2C2CC2)=C1	REAL300020217445	1	50	0.0	-60.97	394.47	5.76	-55.21
COC1=CC=CC([C@@H]2[C@@H](NC(=O)CCC3=NN=N[N-]3)CC[N@@H+]2C2CC2)=C1	REAL300020217445	1	50	0.0	-60.27	391.36	5.21	-55.06
COC1=CC=CC([C@@H]2[C@@H](NC(=O)CCC3=NN=N[N-]3)CC[N@H+]2C2CC2)=C1	REAL300020217445	1	50	0.0	-61.01	394.53	5.77	-55.24
COC1=CC=CC([C@@H]2[C@@H](NC(=O)CCC3=N[N-]N=N3)CCN2C2CC2)=C1	REAL300020217445	1	49	-1.0	-41.10	393.83	3.76	-37.34
COC1=CC=CC([C@@H]2[C@@H](NC(=O)CCC3=NN=N[N-]3)CCN2C2CC2)=C1	REAL300020217445	1	49	-1.0	-41.10	393.89	3.78	-37.32
O=C(CCC1=N[N-]N=N1)N1CCN(C2CCCCC2)C(=O)C1	REAL300020217446	0	43	-1.0	-42.55	329.18	4.30	-38.25
O=C(CCC1=NN=N[N-]1)N1CCN(C2CCCCC2)C(=O)C1	REAL300020217446	1	43	-1.0	-42.61	329.24	4.31	-38.30
COC(=O)C1(C2CCOCC2)CCN(C(=O)CCC2=N[N-]N=N2)C1	REAL300020217447	0	46	-1.0	-41.30	355.45	3.59	-37.71
COC(=O)C1(C2CCOCC2)CCN(C(=O)CCC2=NN=N[N-]2)C1	REAL300020217447	1	46	-1.0	-41.30	355.51	3.61	-37.69
COC(=O)[C@@H]1CN(C(=O)CCC2=N[N-]N=N2)C[C@H]1C1=CC=C(OC)C=C1	REAL300020217448	0	46	-1.0	-45.43	380.66	5.42	-40.01
COC(=O)[C@@H]1CN(C(=O)CCC2=NN=N[N-]2)C[C@H]1C1=CC=C(OC)C=C1	REAL300020217448	1	46	-1.0	-45.42	380.71	5.43	-39.99
O=C(CCC1=N[N-]N=N1)NC1=NC2=C(S1)C(=O)CCCC2	REAL300020217449	0	34	-1.0	-43.03	297.32	2.93	-40.10
O=C(CCC1=NN=N[N-]1)NC1=NC2=C(S1)C(=O)CCCC2	REAL300020217449	1	34	-1.0	-42.99	297.38	2.94	-40.05
O=C(CCC1=N[N-]N=N1)NCC1(C2=CC=CC=C2)NC(=O)NC1=O	REAL300020217450	0	38	-1.0	-43.10	329.31	-1.04	-44.14
O=C(CCC1=NN=N[N-]1)NCC1(C2=CC=CC=C2)NC(=O)NC1=O	REAL300020217450	1	38	-1.0	-43.07	329.36	-1.02	-44.09
CCOC1=CC=C(NC(=O)CCC2=N[N-]N=N2)C(OCC)=C1	REAL300020217451	0	40	-1.0	-40.09	332.70	3.15	-36.94
CCOC1=CC=C(NC(=O)CCC2=NN=N[N-]2)C(OCC)=C1	REAL300020217451	1	40	-1.0	-40.15	332.76	3.17	-36.98
CC(C)(C)OC(=O)C1=CC(Br)=CC(NC(=O)CCC2=N[N-]N=N2)=C1	REAL300020217452	0	41	-1.0	-43.18	362.77	5.90	-37.28
CC(C)(C)OC(=O)C1=CC(Br)=CC(NC(=O)CCC2=NN=N[N-]2)=C1	REAL300020217452	1	41	-1.0	-43.18	362.83	5.91	-37.27
C=CCCC(C)N(CCC1=CC=CC=N1)C(=O)CCC1=N[N-]N=N1	REAL300020217453	0	47	-1.0	-40.12	374.05	7.46	-32.66
C=CCCC(C)N(CCC1=CC=CC=N1)C(=O)CCC1=NN=N[N-]1	REAL300020217453	1	47	-1.0	-40.13	374.10	7.48	-32.65
NC(=O)C1=CN([C@@H]2COC[C@H]2CNC(=O)CCC2=NN=N[N-]2)N=N1	REAL300020217454	0	40	-1.0	-45.70	346.74	-4.13	-49.83
NC(=O)C1=CN([C@@H]2COC[C@H]2CNC(=O)CCC2=N[N-]N=N2)N=N1	REAL300020217454	1	40	-1.0	-45.67	346.68	-4.14	-49.81
CC(C)(C)OC(=O)N1CCCC12CCN(C(=O)CCC1=N[N-]N=N1)CC2	REAL300020217455	0	53	-1.0	-44.18	385.23	5.23	-38.95
CC(C)(C)OC(=O)N1CCCC12CCN(C(=O)CCC1=NN=N[N-]1)CC2	REAL300020217455	1	53	-1.0	-44.18	385.29	5.25	-38.93
C=CCC1(C(=O)OCC)CN(C(=O)CCC2=N[N-]N=N2)CCO1	REAL300020217456	0	43	-1.0	-40.79	349.70	4.59	-36.20
C=CCC1(C(=O)OCC)CN(C(=O)CCC2=NN=N[N-]2)CCO1	REAL300020217456	1	43	-1.0	-40.78	349.76	4.60	-36.18
O=C(CCC1=NN=N[N-]1)N1CCC(N2C=C([N+](=O)[O-])C=N2)CC1	REAL300020217457	0	38	-1.0	-43.34	325.26	4.24	-39.10
O=C(CCC1=N[N-]N=N1)N1CCC(N2C=C([N+](=O)[O-])C=N2)CC1	REAL300020217457	1	38	-1.0	-43.36	325.20	4.23	-39.13
CCOC(=O)C12CCCC1N(C(=O)CCC1=N[N-]N=N1)CC2	REAL300020217458	0	42	-1.0	-47.10	336.37	5.31	-41.79
CCOC(=O)C12CCCC1N(C(=O)CCC1=NN=N[N-]1)CC2	REAL300020217458	1	42	-1.0	-47.14	336.43	5.33	-41.81
O=C(CCC1=N[N-]N=N1)N1CCC(CO)(C2CCOCC2)C1	REAL300020217459	0	44	-1.0	-43.00	329.70	0.30	-42.70
O=C(CCC1=NN=N[N-]1)N1CCC(CO)(C2CCOCC2)C1	REAL300020217459	1	44	-1.0	-43.00	329.76	0.31	-42.69
CC1=CC=C(C(=O)NNC(=O)CCC2=N[N-]N=N2)C=C1Br	REAL300020217460	0	33	-1.0	-40.93	309.84	2.59	-38.34
CC1=CC=C(C(=O)NNC(=O)CCC2=NN=N[N-]2)C=C1Br	REAL300020217460	1	33	-1.0	-40.94	309.90	2.61	-38.33
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O=C(CCC1=NN=N[N-]1)NC1CCCN(C2=CC=C(F)C(F)=C2)C1=O	REAL300020217461	1	40	-1.0	-51.38	347.18	4.08	-47.30
O=C(CCC1=N[N-]N=N1)NCC1=CNN=C1C1=CC=CC(F)=C1	REAL300020217462	0	36	-1.0	-45.30	317.61	3.52	-41.78
O=C(CCC1=NN=N[N-]1)NCC1=CNN=C1C1=CC=CC(F)=C1	REAL300020217462	1	36	-1.0	-45.27	317.67	3.54	-41.73
O=C(CCC1=N[N-]N=N1)N1CCCN(C(=O)C2=CC=CC=C2C(F)(F)F)CC1	REAL300020217463	0	46	-1.0	-45.50	367.54	6.65	-38.85
O=C(CCC1=NN=N[N-]1)N1CCCN(C(=O)C2=CC=CC=C2C(F)(F)F)CC1	REAL300020217463	1	46	-1.0	-45.51	367.60	6.67	-38.84
CC(C)(C)OC(=O)NC1=CC=C2CCN(C(=O)CCC3=N[N-]N=N3)CC2=C1	REAL300020217464	0	50	-1.0	-43.23	396.06	5.21	-38.02
CC(C)(C)OC(=O)NC1=CC=C2CCN(C(=O)CCC3=NN=N[N-]3)CC2=C1	REAL300020217464	1	50	-1.0	-43.17	396.11	5.23	-37.94
CC(C)(C)OC(=O)NC1(C2CCN(C(=O)CCC3=N[N-]N=N3)CC2)CC1	REAL300020217465	0	53	-1.0	-43.09	396.01	4.26	-38.83
CC(C)(C)OC(=O)NC1(C2CCN(C(=O)CCC3=NN=N[N-]3)CC2)CC1	REAL300020217465	1	53	-1.0	-43.12	396.06	4.28	-38.84
COC(=O)C1=CC(CNC(=O)CCC2=N[N-]N=N2)=C(C)S1	REAL300020217466	0	35	-1.0	-42.32	323.10	3.17	-39.15
COC(=O)C1=CC(CNC(=O)CCC2=NN=N[N-]2)=C(C)S1	REAL300020217466	1	35	-1.0	-42.34	323.16	3.18	-39.16
CC(C)N1C=C([C@@H]2CN(C(=O)CCC3=NN=N[N-]3)C[C@H]2CO)C=N1	REAL300020217467	0	46	-1.0	-49.25	374.62	1.99	-47.26
CC(C)N1C=C([C@@H]2CN(C(=O)CCC3=N[N-]N=N3)C[C@H]2CO)C=N1	REAL300020217467	1	46	-1.0	-49.29	374.57	1.97	-47.32
COC(=O)C1=CN(CC2CCCN2C(=O)CCC2=NN=N[N-]2)N=N1	REAL300020217468	0	41	-1.0	-50.80	343.14	3.57	-47.23
COC(=O)C1=CN(CC2CCCN2C(=O)CCC2=N[N-]N=N2)N=N1	REAL300020217468	1	41	-1.0	-50.84	343.08	3.56	-47.28
COC(=O)C(CC1=CC=CS1)NC(=O)CCC1=N[N-]N=N1	REAL300020217469	0	35	-1.0	-43.56	323.13	3.74	-39.82
COC(=O)C(CC1=CC=CS1)NC(=O)CCC1=NN=N[N-]1	REAL300020217469	1	35	-1.0	-43.56	323.19	3.75	-39.81
COCC(NC(=O)CCC1=N[N-]N=N1)(C(=O)OC)C1=CC=CC=C1	REAL300020217470	0	42	-1.0	-43.18	352.45	3.31	-39.87
COCC(NC(=O)CCC1=NN=N[N-]1)(C(=O)OC)C1=CC=CC=C1	REAL300020217470	1	42	-1.0	-43.15	352.51	3.32	-39.83
COC(=O)CC(C)(NC(=O)CCC1=N[N-]N=N1)C1=CC=C(Br)C=C1	REAL300020217471	0	41	-1.0	-40.37	356.05	5.64	-34.73
COC(=O)CC(C)(NC(=O)CCC1=NN=N[N-]1)C1=CC=C(Br)C=C1	REAL300020217471	1	41	-1.0	-40.36	356.11	5.66	-34.70
COC(=O)[C@@H]1CC2(CC2)CC[C@@H]1NC(=O)CCC1=N[N-]N=N1	REAL300020217472	0	42	-1.0	-41.20	340.88	4.83	-36.37
COC(=O)[C@@H]1CC2(CC2)CC[C@@H]1NC(=O)CCC1=NN=N[N-]1	REAL300020217472	1	42	-1.0	-41.20	340.94	4.85	-36.35
CCN(CC(=O)OCC1=CC=CC=C1)C(=O)CCC1=N[N-]N=N1	REAL300020217473	0	41	-1.0	-44.60	351.94	7.08	-37.52
CCN(CC(=O)OCC1=CC=CC=C1)C(=O)CCC1=NN=N[N-]1	REAL300020217473	1	41	-1.0	-44.61	352.00	7.09	-37.52
O=C(CCC1=N[N-]N=N1)NC1CCCN(C2=CC=C(Cl)C(Cl)=C2)C1	REAL300020217474	0	41	-1.0	-40.84	360.19	4.24	-36.60
O=C(CCC1=NN=N[N-]1)NC1CCCN(C2=CC=C(Cl)C(Cl)=C2)C1	REAL300020217474	1	41	-1.0	-40.85	360.24	4.26	-36.59
O=C(CCC1=N[N-]N=N1)NC1=CC=C(OCC2=CN=CC=N2)C=C1	REAL300020217475	0	38	-1.0	-44.01	330.58	2.27	-41.74
O=C(CCC1=NN=N[N-]1)NC1=CC=C(OCC2=CN=CC=N2)C=C1	REAL300020217475	1	38	-1.0	-44.06	330.63	2.28	-41.78
CC1=CC2=CC=CC=C2N1CCCNC(=O)CCC1=N[N-]N=N1	REAL300020217476	0	42	-1.0	-42.17	352.45	5.90	-36.27
CC1=CC2=CC=CC=C2N1CCCNC(=O)CCC1=NN=N[N-]1	REAL300020217476	1	42	-1.0	-42.16	352.51	5.92	-36.24
CC(C)(CNC(=O)CCC1=NN=N[N-]1)C1=COC(C2=CC=CC=C2)=N1	REAL300020217477	0	44	-1.0	-46.50	369.32	3.40	-43.10
CC(C)(CNC(=O)CCC1=N[N-]N=N1)C1=COC(C2=CC=CC=C2)=N1	REAL300020217477	1	44	-1.0	-46.53	369.26	3.38	-43.15
COC(=O)C1CN(C(=O)CCC2=N[N-]N=N2)CC(F)(F)C1	REAL300020217478	0	35	-1.0	-40.91	301.84	3.58	-37.33
COC(=O)C1CN(C(=O)CCC2=NN=N[N-]2)CC(F)(F)C1	REAL300020217478	1	35	-1.0	-40.88	301.90	3.60	-37.28
CC(C)(C)OC(=O)COC1CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300020217479	0	48	-1.0	-45.84	378.99	5.47	-40.37
CC(C)(C)OC(=O)COC1CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020217479	1	48	-1.0	-45.81	379.05	5.48	-40.33
C[C@@H]1CCN(C(=O)CCC2=N[N-]N=N2)[C@H](C)[C@@H]1[N-]C(=O)C(F)(F)F	REAL300020217480	0	41	-2.0	-84.76	342.15	2.29	-82.47
C[C@@H]1CCN(C(=O)CCC2=NN=N[N-]2)[C@H](C)[C@@H]1NC(=O)C(F)(F)F	REAL300020217480	1	42	-1.0	-42.40	336.69	3.13	-39.27
C[C@@H]1CCN(C(=O)CCC2=N[N-]N=N2)[C@H](C)[C@@H]1NC(=O)C(F)(F)F	REAL300020217480	1	42	-1.0	-42.44	336.63	3.10	-39.34
C[C@@H]1CCN(C(=O)CCC2=NN=N[N-]2)[C@H](C)[C@@H]1[N-]C(=O)C(F)(F)F	REAL300020217480	1	41	-2.0	-84.76	342.21	2.31	-82.45
COC(=O)CC(C)(NC(=O)CCC1=NN=N[N-]1)C1=CC=CN=C1	REAL300020217481	0	40	-1.0	-44.92	329.51	2.46	-42.46
COC(=O)CC(C)(NC(=O)CCC1=N[N-]N=N1)C1=CC=CN=C1	REAL300020217481	1	40	-1.0	-44.88	329.46	2.44	-42.44
COC(=O)C12CC3(C)CC(C)(CC(NC(=O)CCC4=N[N-]N=N4)(C3)C1)C2	REAL300020217482	0	52	-1.0	-42.05	387.45	5.49	-36.56
COC(=O)C12CC3(C)CC(C)(CC(NC(=O)CCC4=NN=N[N-]4)(C3)C1)C2	REAL300020217482	1	52	-1.0	-42.04	387.51	5.50	-36.54
COC(=O)CC(NC(=O)CCC1=N[N-]N=N1)C1=CC=CC(F)=C1	REAL300020217483	0	38	-1.0	-43.55	330.79	4.11	-39.44
COC(=O)CC(NC(=O)CCC1=NN=N[N-]1)C1=CC=CC(F)=C1	REAL300020217483	1	38	-1.0	-43.51	330.84	4.13	-39.38
COC(=O)C[C@@H](NC(=O)CCC1=N[N-]N=N1)C1CCCCC1	REAL300020217484	0	44	-1.0	-46.50	343.76	4.82	-41.68
COC(=O)C[C@@H](NC(=O)CCC1=NN=N[N-]1)C1CCCCC1	REAL300020217484	1	44	-1.0	-46.51	343.80	4.84	-41.67
O=C(CCC1=N[N-]N=N1)NCCC1=NC=CC(C(F)(F)F)=N1	REAL300020217485	0	33	-1.0	-44.27	309.02	1.67	-42.60
O=C(CCC1=NN=N[N-]1)NCCC1=NC=CC(C(F)(F)F)=N1	REAL300020217485	1	33	-1.0	-44.25	309.08	1.68	-42.57
O=C(CCC1=N[N-]N=N1)NNC1=NC=CC=C1Br	REAL300020217486	0	27	-1.0	-40.55	264.23	2.17	-38.38
O=C(CCC1=NN=N[N-]1)NNC1=NC=CC=C1Br	REAL300020217486	1	27	-1.0	-40.55	264.28	2.18	-38.37
COC(=O)C1(C2CCCN(C(=O)CCC3=N[N-]N=N3)C2)CC(F)(F)C1	REAL300020217487	0	45	-1.0	-48.08	353.87	5.78	-42.30
COC(=O)C1(C2CCCN(C(=O)CCC3=NN=N[N-]3)C2)CC(F)(F)C1	REAL300020217487	1	45	-1.0	-48.08	353.93	5.79	-42.29
CN1N=CC=C1[C@H]1[C@H](CNC(=O)CCC2=N[N-]N=N2)CCC[N@@H+]1C	REAL300020217488	0	48	0.0	-70.03	368.01	3.69	-66.34
CN1N=CC=C1[C@H]1[C@H](CNC(=O)CCC2=N[N-]N=N2)CCC[N@H+]1C	REAL300020217488	1	48	0.0	-69.95	362.07	3.10	-66.85
CN1N=CC=C1[C@H]1[C@H](CNC(=O)CCC2=NN=N[N-]2)CCC[N@@H+]1C	REAL300020217488	1	48	0.0	-70.01	368.06	3.70	-66.31
CN1N=CC=C1[C@H]1[C@H](CNC(=O)CCC2=NN=N[N-]2)CCC[N@H+]1C	REAL300020217488	1	48	0.0	-69.99	362.13	3.11	-66.88
CN1N=CC=C1[C@H]1[C@H](CNC(=O)CCC2=N[N-]N=N2)CCCN1C	REAL300020217488	1	47	-1.0	-42.37	366.35	1.44	-40.93
CN1N=CC=C1[C@H]1[C@H](CNC(=O)CCC2=NN=N[N-]2)CCCN1C	REAL300020217488	1	47	-1.0	-42.36	366.41	1.46	-40.90
CC(C)(C)OC(=O)N(CCF)NC(=O)CCC1=N[N-]N=N1	REAL300020217489	0	39	-1.0	-39.79	325.52	2.93	-36.86
CC(C)(C)OC(=O)N(CCF)NC(=O)CCC1=NN=N[N-]1	REAL300020217489	1	39	-1.0	-39.79	325.58	2.95	-36.84
CN(CCC(=O)OCC1=CC=CC=C1)C(=O)CCC1=N[N-]N=N1	REAL300020217490	0	41	-1.0	-42.86	353.00	6.55	-36.31
CN(CCC(=O)OCC1=CC=CC=C1)C(=O)CCC1=NN=N[N-]1	REAL300020217490	1	41	-1.0	-42.87	353.06	6.56	-36.31
O=C(CCC1=NN=N[N-]1)NC1=CN(CCN2CCOC2=O)N=C1	REAL300020217491	0	38	-1.0	-55.33	331.63	1.32	-54.01
O=C(CCC1=N[N-]N=N1)NC1=CN(CCN2CCOC2=O)N=C1	REAL300020217491	1	38	-1.0	-55.35	331.58	1.31	-54.04
COC(=O)C1=CN(CC2CN(C(=O)CCC3=NN=N[N-]3)CCO2)N=N1	REAL300020217492	0	42	-1.0	-47.98	361.75	1.40	-46.58
COC(=O)C1=CN(CC2CN(C(=O)CCC3=N[N-]N=N3)CCO2)N=N1	REAL300020217492	1	42	-1.0	-47.98	361.70	1.39	-46.59
COC(=O)C1=NN(C2CCCN(C(=O)CCC3=NN=N[N-]3)C2)C=C1	REAL300020217493	0	42	-1.0	-45.42	350.75	4.18	-41.24
COC(=O)C1=NN(C2CCCN(C(=O)CCC3=N[N-]N=N3)C2)C=C1	REAL300020217493	1	42	-1.0	-45.42	350.69	4.16	-41.26
O=C(CCC1=N[N-]N=N1)N1CCC(C2=CC=CC=C2C(F)(F)F)C1	REAL300020217494	0	39	-1.0	-42.06	331.11	6.31	-35.75
O=C(CCC1=NN=N[N-]1)N1CCC(C2=CC=CC=C2C(F)(F)F)C1	REAL300020217494	1	39	-1.0	-42.03	331.16	6.33	-35.70
CN(C[C@@H]1CCC[N@H+](C)[C@H]1C1=CC=NN1C)C(=O)CCC1=N[N-]N=N1	REAL300020217495	0	51	0.0	-68.55	380.43	5.49	-63.06
CN(C[C@@H]1CCC[N@@H+](C)[C@H]1C1=CC=NN1C)C(=O)CCC1=N[N-]N=N1	REAL300020217495	1	51	0.0	-63.36	375.41	4.94	-58.42
CN(C[C@@H]1CCC[N@H+](C)[C@H]1C1=CC=NN1C)C(=O)CCC1=NN=N[N-]1	REAL300020217495	1	51	0.0	-68.61	380.49	5.51	-63.10
CN(C[C@@H]1CCC[N@@H+](C)[C@H]1C1=CC=NN1C)C(=O)CCC1=NN=N[N-]1	REAL300020217495	1	51	0.0	-63.37	375.47	4.96	-58.41
CN(C[C@@H]1CCCN(C)[C@H]1C1=CC=NN1C)C(=O)CCC1=N[N-]N=N1	REAL300020217495	1	50	-1.0	-39.92	379.66	3.33	-36.59
CN(C[C@@H]1CCCN(C)[C@H]1C1=CC=NN1C)C(=O)CCC1=NN=N[N-]1	REAL300020217495	1	50	-1.0	-39.93	379.71	3.34	-36.59
O=C(CCC1=N[N-]N=N1)NCC1=CC=CC=C1C1OCCO1	REAL300020217496	0	38	-1.0	-40.71	319.31	2.64	-38.07
O=C(CCC1=NN=N[N-]1)NCC1=CC=CC=C1C1OCCO1	REAL300020217496	1	38	-1.0	-40.72	319.36	2.66	-38.06
O=C(CCC1=N[N-]N=N1)NCC1=CC=CC(C2OCCO2)=C1	REAL300020217497	0	38	-1.0	-41.15	324.89	2.34	-38.81
O=C(CCC1=NN=N[N-]1)NCC1=CC=CC(C2OCCO2)=C1	REAL300020217497	1	38	-1.0	-41.16	324.95	2.35	-38.81
CC(C)(C)OC(=O)N1CCC(N(CCC#N)C(=O)CCC2=N[N-]N=N2)C1	REAL300020217498	0	50	-1.0	-48.46	399.48	5.43	-43.03
CC(C)(C)OC(=O)N1CCC(N(CCC#N)C(=O)CCC2=NN=N[N-]2)C1	REAL300020217498	1	50	-1.0	-48.42	399.54	5.45	-42.97
O=C(CCC1=N[N-]N=N1)N1CCOCC1C1=CC=CC(Cl)=C1	REAL300020217499	0	37	-1.0	-39.62	314.26	4.27	-35.35
O=C(CCC1=NN=N[N-]1)N1CCOCC1C1=CC=CC(Cl)=C1	REAL300020217499	1	37	-1.0	-39.59	314.32	4.28	-35.31
CC1=C(C2=CC=C(C)C=C2)C(NC(=O)CCC2=N[N-]N=N2)=NN1	REAL300020217500	0	39	-1.0	-44.69	336.31	5.06	-39.63
CC1=C(C2=CC=C(C)C=C2)C(NC(=O)CCC2=NN=N[N-]2)=NN1	REAL300020217500	1	39	-1.0	-44.68	336.37	5.08	-39.60
CC1=C(C2=CC=C(Br)C=C2)C(NC(=O)CCC2=N[N-]N=N2)=NN1	REAL300020217501	0	36	-1.0	-44.14	336.25	5.02	-39.12
CC1=C(C2=CC=C(Br)C=C2)C(NC(=O)CCC2=NN=N[N-]2)=NN1	REAL300020217501	1	36	-1.0	-44.10	336.31	5.04	-39.06
CC1=C(C2=CC=CC(F)=C2)C(NC(=O)CCC2=N[N-]N=N2)=NN1	REAL300020217502	0	36	-1.0	-44.52	321.32	4.45	-40.07
CC1=C(C2=CC=CC(F)=C2)C(NC(=O)CCC2=NN=N[N-]2)=NN1	REAL300020217502	1	36	-1.0	-44.50	321.38	4.47	-40.03
CC1=C(C2=CC=C3OCCOC3=C2)C(NC(=O)CCC2=N[N-]N=N2)=NN1	REAL300020217503	0	42	-1.0	-47.72	359.45	3.54	-44.18
CC1=C(C2=CC=C3OCCOC3=C2)C(NC(=O)CCC2=NN=N[N-]2)=NN1	REAL300020217503	1	42	-1.0	-47.70	359.51	3.55	-44.15
O=C(CCC1=N[N-]N=N1)NC1=NNC(C(F)(F)F)=C1C1=CC=C(Cl)C=C1	REAL300020217504	0	36	-1.0	-40.19	348.75	5.24	-34.95
O=C(CCC1=NN=N[N-]1)NC1=NNC(C(F)(F)F)=C1C1=CC=C(Cl)C=C1	REAL300020217504	1	36	-1.0	-40.16	348.81	5.25	-34.91
O=C(CCC1=NN=N[N-]1)NCCN1C=C(C2=COC=C2)C=N1	REAL300020217505	0	36	-1.0	-47.35	322.88	2.41	-44.94
O=C(CCC1=N[N-]N=N1)NCCN1C=C(C2=COC=C2)C=N1	REAL300020217505	1	36	-1.0	-47.34	322.82	2.39	-44.95
CCOC1=CC=CC=C1OC1CCN(C(=O)CCC2=N[N-]N=N2)C1	REAL300020217506	0	44	-1.0	-43.28	360.18	5.33	-37.95
CCOC1=CC=CC=C1OC1CCN(C(=O)CCC2=NN=N[N-]2)C1	REAL300020217506	1	44	-1.0	-43.27	360.24	5.35	-37.92
CC(C)(C)C[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)CCC1=N[N-]N=N1	REAL300020217507	0	57	0.0	-65.98	429.10	7.92	-58.06
CC(C)(C)C[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)CCC1=N[N-]N=N1	REAL300020217507	1	57	0.0	-65.24	429.44	7.88	-57.36
CC(C)(C)C[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)CCC1=NN=N[N-]1	REAL300020217507	1	57	0.0	-66.02	429.15	7.93	-58.09
CC(C)(C)C[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)CCC1=NN=N[N-]1	REAL300020217507	1	57	0.0	-65.24	429.50	7.90	-57.34
CC(C)OC(=O)[C@@H]1OC(C)(C)O[C@H]1CNC(=O)CCC1=N[N-]N=N1	REAL300020217508	0	46	-1.0	-41.59	384.65	2.84	-38.75
CC(C)OC(=O)[C@@H]1OC(C)(C)O[C@H]1CNC(=O)CCC1=NN=N[N-]1	REAL300020217508	1	46	-1.0	-41.59	384.71	2.86	-38.73
COC1(C(F)(F)CNC(=O)CCC2=N[N-]N=N2)CCOCC1	REAL300020217509	0	40	-1.0	-39.04	320.99	0.30	-38.74
COC1(C(F)(F)CNC(=O)CCC2=NN=N[N-]2)CCOCC1	REAL300020217509	1	40	-1.0	-39.02	321.05	0.31	-38.71
O=C(CCC1=N[N-]N=N1)N1CCCC1C1=C(F)C=CC=C1Cl	REAL300020217510	0	36	-1.0	-41.96	314.05	6.62	-35.34
O=C(CCC1=NN=N[N-]1)N1CCCC1C1=C(F)C=CC=C1Cl	REAL300020217510	1	36	-1.0	-41.95	314.11	6.63	-35.32
O=C(CCC1=N[N-]N=N1)NCC1=NOC(COC2=CC=C(Cl)C=C2)=N1	REAL300020217511	0	38	-1.0	-43.01	355.76	1.29	-41.72
O=C(CCC1=NN=N[N-]1)NCC1=NOC(COC2=CC=C(Cl)C=C2)=N1	REAL300020217511	1	38	-1.0	-43.00	355.81	1.30	-41.70
O=C(CCC1=N[N-]N=N1)N1CCOC(C(F)(F)F)(C(F)(F)F)C1	REAL300020217512	0	33	-1.0	-38.89	290.24	2.97	-35.92
O=C(CCC1=NN=N[N-]1)N1CCOC(C(F)(F)F)(C(F)(F)F)C1	REAL300020217512	1	33	-1.0	-38.84	290.30	2.99	-35.85
CC(C)(C)OC(=O)N1CC(C2CN(C(=O)CCC3=N[N-]N=N3)C2)C1	REAL300020217513	0	47	-1.0	-46.76	381.57	4.23	-42.53
CC(C)(C)OC(=O)N1CC(C2CN(C(=O)CCC3=NN=N[N-]3)C2)C1	REAL300020217513	1	47	-1.0	-46.79	381.62	4.25	-42.54
CNC(=O)C(F)(F)C1(O)CN(C(=O)CCC2=N[N-]N=N2)C1	REAL300020217514	0	34	-1.0	-43.43	302.81	-2.00	-45.43
CNC(=O)C(F)(F)C1(O)CN(C(=O)CCC2=NN=N[N-]2)C1	REAL300020217514	1	34	-1.0	-43.39	302.87	-1.98	-45.37
O=C(CCC1=N[N-]N=N1)N1C[C@H]2CCS(=O)(=O)[C@@]2(C(F)(F)F)C1	REAL300020217515	0	36	-1.0	-46.73	316.07	0.93	-45.80
O=C(CCC1=NN=N[N-]1)N1C[C@H]2CCS(=O)(=O)[C@@]2(C(F)(F)F)C1	REAL300020217515	1	36	-1.0	-46.74	316.12	0.95	-45.79
CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)CCC2=N[N-]N=N2)C[C@H]1C1CC1	REAL300020217516	0	50	-1.0	-44.66	397.79	3.99	-40.67
CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)CCC2=NN=N[N-]2)C[C@H]1C1CC1	REAL300020217516	1	50	-1.0	-44.68	397.85	4.00	-40.68
COC(OC)C1=CC=CC(CNC(=O)CCC2=N[N-]N=N2)=C1	REAL300020217517	0	40	-1.0	-41.31	336.81	2.41	-38.90
COC(OC)C1=CC=CC(CNC(=O)CCC2=NN=N[N-]2)=C1	REAL300020217517	1	40	-1.0	-41.30	336.87	2.43	-38.87
O=C(CCC1=N[N-]N=N1)NC1CCS(=O)(=O)C2(CCOCC2)C1	REAL300020217518	0	43	-1.0	-44.94	338.66	-1.28	-46.22
O=C(CCC1=NN=N[N-]1)NC1CCS(=O)(=O)C2(CCOCC2)C1	REAL300020217518	1	43	-1.0	-44.94	338.71	-1.26	-46.20
CC(CC1=CN(C)C2=CC=CC=C12)NC(=O)CCC1=N[N-]N=N1	REAL300020217519	0	42	-1.0	-44.46	353.70	6.13	-38.33
CC(CC1=CN(C)C2=CC=CC=C12)NC(=O)CCC1=NN=N[N-]1	REAL300020217519	1	42	-1.0	-44.48	353.76	6.14	-38.34
CC(C)(C)OC1CC(CNC(=O)CCC2=N[N-]N=N2)C1(C)C	REAL300020217520	0	48	-1.0	-39.02	371.22	3.98	-35.04
CC(C)(C)OC1CC(CNC(=O)CCC2=NN=N[N-]2)C1(C)C	REAL300020217520	1	48	-1.0	-39.04	371.28	3.99	-35.05
CC(C)(C)OC(=O)N1CCC(NC(=O)CCC2=N[N-]N=N2)CC12CC2	REAL300020217521	0	50	-1.0	-40.70	389.62	4.13	-36.57
CC(C)(C)OC(=O)N1CCC(NC(=O)CCC2=NN=N[N-]2)CC12CC2	REAL300020217521	1	50	-1.0	-40.75	389.68	4.14	-36.61
CC(C)(C)OC(=O)N1CCOCC(NC(=O)CCC2=N[N-]N=N2)C1	REAL300020217522	0	47	-1.0	-42.50	370.09	2.24	-40.26
CC(C)(C)OC(=O)N1CCOCC(NC(=O)CCC2=NN=N[N-]2)C1	REAL300020217522	1	47	-1.0	-42.50	370.15	2.26	-40.24
CC1=NC2=C(CC[C@H]3[C@@H]2CCCN3C(=O)CCC2=N[N-]N=N2)N1	REAL300020217523	0	43	-1.0	-44.77	333.21	4.60	-40.17
CC1=NC2=C(N1)[C@H]1CCCN(C(=O)CCC3=N[N-]N=N3)[C@H]1CC2	REAL300020217523	1	43	-1.0	-43.69	333.30	4.59	-39.10
CC1=NC2=C(CC[C@H]3[C@@H]2CCCN3C(=O)CCC2=NN=N[N-]2)N1	REAL300020217523	1	43	-1.0	-44.77	333.27	4.61	-40.16
CC1=NC2=C(N1)[C@H]1CCCN(C(=O)CCC3=NN=N[N-]3)[C@H]1CC2	REAL300020217523	1	43	-1.0	-43.71	333.36	4.60	-39.11
O=C(CCC1=N[N-]N=N1)NCCC1CCOC2=CC=CC=C21	REAL300020217524	0	40	-1.0	-41.07	325.98	3.76	-37.31
O=C(CCC1=NN=N[N-]1)NCCC1CCOC2=CC=CC=C21	REAL300020217524	1	40	-1.0	-41.09	326.04	3.77	-37.32
CC(C)(C)OC(=O)N1CC23CCCC2(CN(C(=O)CCC2=N[N-]N=N2)C3)C1	REAL300020217525	0	54	-1.0	-49.32	408.95	5.49	-43.83
CC(C)(C)OC(=O)N1CC23CCCC2(CN(C(=O)CCC2=NN=N[N-]2)C3)C1	REAL300020217525	1	54	-1.0	-49.32	409.01	5.50	-43.82
CC(C)(C)OC(=O)NC1=CC=C2CN(C(=O)CCC3=N[N-]N=N3)CCC2=C1	REAL300020217526	0	50	-1.0	-44.07	396.05	5.21	-38.86
CC(C)(C)OC(=O)NC1=CC=C2CN(C(=O)CCC3=NN=N[N-]3)CCC2=C1	REAL300020217526	1	50	-1.0	-44.09	396.11	5.23	-38.86
CN1N=C(CNC(=O)CCC2=N[N-]N=N2)C(Br)=C1Cl	REAL300020217527	0	29	-1.0	-40.00	297.10	1.31	-38.69
CN1N=C(CNC(=O)CCC2=NN=N[N-]2)C(Br)=C1Cl	REAL300020217527	1	29	-1.0	-39.97	297.16	1.33	-38.64
CN1N=C(C(F)(F)F)C(Cl)=C1CNC(=O)CCC1=N[N-]N=N1	REAL300020217528	0	32	-1.0	-39.94	313.83	1.65	-38.29
CN1N=C(C(F)(F)F)C(Cl)=C1CNC(=O)CCC1=NN=N[N-]1	REAL300020217528	1	32	-1.0	-39.92	313.89	1.66	-38.26
COC1(CCNC(=O)OC(C)(C)C)CN(C(=O)CCC2=N[N-]N=N2)C1	REAL300020217869	0	50	-1.0	-48.12	401.40	1.23	-46.89
COC1(CCNC(=O)OC(C)(C)C)CN(C(=O)CCC2=NN=N[N-]2)C1	REAL300020217869	1	50	-1.0	-48.14	401.46	1.25	-46.89
CC1=NC(C2=CC=C(CNC(=O)CCC3=NN=N[N-]3)C=C2)=NO1	REAL300020217870	0	37	-1.0	-43.77	329.94	2.04	-41.73
CC1=NC(C2=CC=C(CNC(=O)CCC3=N[N-]N=N3)C=C2)=NO1	REAL300020217870	1	37	-1.0	-43.73	329.88	2.03	-41.70
O=C(CCC1=N[N-]N=N1)N1CCCCC1C1=CC=CC(O)=C1	REAL300020217871	0	40	-1.0	-41.94	316.60	3.31	-38.63
O=C(CCC1=NN=N[N-]1)N1CCCCC1C1=CC=CC(O)=C1	REAL300020217871	1	40	-1.0	-41.94	316.66	3.32	-38.62
CC1=CC(F)=CC=C1CC1(NC(=O)CCC2=N[N-]N=N2)CC1	REAL300020217872	0	39	-1.0	-39.36	320.56	4.88	-34.48
CC1=CC(F)=CC=C1CC1(NC(=O)CCC2=NN=N[N-]2)CC1	REAL300020217872	1	39	-1.0	-39.41	320.62	4.90	-34.51
COC(=O)C1(NC(=O)CCC2=N[N-]N=N2)CCC(C(F)F)CC1	REAL300020217873	0	41	-1.0	-41.10	332.94	4.95	-36.15
COC(=O)C1(NC(=O)CCC2=NN=N[N-]2)CCC(C(F)F)CC1	REAL300020217873	1	41	-1.0	-41.12	333.00	4.97	-36.15
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CCOC1=CC=C(C(CO)NC(=O)CCC2=N[N-]N=N2)C=C1	REAL300020217899	0	40	-1.0	-40.68	335.25	0.59	-40.09
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C[C@@H](NC(=O)CCC1=NN=N[N-]1)C1=CC=C(C(C)(C)C)C=C1	REAL300020217910	1	44	-1.0	-38.99	351.33	5.87	-33.12
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C[C@@H](NC(=O)CCC1=NN=N[N-]1)C1=COC2=C(F)C=CC=C12	REAL300020217913	1	35	-1.0	-42.56	309.68	4.01	-38.55
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C[C@H](NC(=O)CCC1=N[N-]N=N1)C1=COC2=C(F)C=CC=C12	REAL300020217916	0	35	-1.0	-42.59	309.50	4.02	-38.57
C[C@H](NC(=O)CCC1=NN=N[N-]1)C1=COC2=C(F)C=CC=C12	REAL300020217916	1	35	-1.0	-42.60	309.56	4.03	-38.57
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COC(=O)C1=CC=CC(C2=CC=CC=C2CNC(=O)CCC2=N[N-]N=N2)=C1	REAL300020217920	0	45	-1.0	-43.37	387.28	6.78	-36.59
COC(=O)C1=CC=CC(C2=CC=CC=C2CNC(=O)CCC2=NN=N[N-]2)=C1	REAL300020217920	1	45	-1.0	-43.38	387.34	6.79	-36.59
COC(=O)C1=C(C(C)C)C=C(NC(=O)CCC2=N[N-]N=N2)S1	REAL300020217921	0	38	-1.0	-40.08	333.13	4.21	-35.87
COC(=O)C1=C(C(C)C)C=C(NC(=O)CCC2=NN=N[N-]2)S1	REAL300020217921	1	38	-1.0	-40.11	333.19	4.22	-35.89
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COC1=CC=C(CNC(=O)CCC2=N[N-]N=N2)C2=CC=CC=C12	REAL300020217923	0	39	-1.0	-41.00	328.77	4.15	-36.85
COC1=CC=C(CNC(=O)CCC2=NN=N[N-]2)C2=CC=CC=C12	REAL300020217923	1	39	-1.0	-40.95	328.83	4.16	-36.79
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COC1=CC=C(C(NC(=O)CCC2=NN=N[N-]2)C2=CC=C(Cl)C=C2)C=C1	REAL300020217924	1	43	-1.0	-41.00	378.79	6.57	-34.43
COC1=CC=CC(C(NC(=O)CCC2=N[N-]N=N2)C2=CC=C(Cl)C=C2)=C1	REAL300020217925	0	43	-1.0	-41.53	378.70	6.54	-34.99
COC1=CC=CC(C(NC(=O)CCC2=NN=N[N-]2)C2=CC=C(Cl)C=C2)=C1	REAL300020217925	1	43	-1.0	-41.55	378.76	6.55	-35.00
CCOC(=O)C1=CC=C2CC(NC(=O)CCC3=N[N-]N=N3)CC2=C1	REAL300020217926	0	42	-1.0	-41.99	357.35	5.56	-36.43
CCOC(=O)C1=CC=C2CC(NC(=O)CCC3=NN=N[N-]3)CC2=C1	REAL300020217926	1	42	-1.0	-42.01	357.40	5.57	-36.44
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COC(=O)C1CCC2(CCC2)CN1C(=O)CCC1=N[N-]N=N1	REAL300020217960	0	42	-1.0	-45.46	328.71	6.06	-39.40
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CC1(C)CCC2(CCC(CNC(=O)CCC3=N[N-]N=N3)O2)CC1	REAL300020217964	0	49	-1.0	-40.35	369.70	4.25	-36.10
CC1(C)CCC2(CCC(CNC(=O)CCC3=NN=N[N-]3)O2)CC1	REAL300020217964	1	49	-1.0	-40.35	369.76	4.27	-36.08
COC(=O)C(NC(=O)CCC1=N[N-]N=N1)C1CCC2=CC=CC=C21	REAL300020217965	0	42	-1.0	-40.91	347.99	6.12	-34.79
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CCOC(=O)CC1=CC=C(CNC(=O)CCC2=N[N-]N=N2)C=C1	REAL300020217974	0	41	-1.0	-43.40	356.40	5.06	-38.34
CCOC(=O)CC1=CC=C(CNC(=O)CCC2=NN=N[N-]2)C=C1	REAL300020217974	1	41	-1.0	-43.37	356.46	5.08	-38.29
CC(C)(C)OC(=O)N1CC(NC(=O)CCC2=N[N-]N=N2)CC2(CCC2)C1	REAL300020217975	0	53	-1.0	-43.98	408.27	4.72	-39.26
CC(C)(C)OC(=O)N1CC(NC(=O)CCC2=NN=N[N-]2)CC2(CCC2)C1	REAL300020217975	1	53	-1.0	-44.01	408.32	4.73	-39.28
CC(C)(C)OC(=O)N1CC(NC(=O)CCC2=N[N-]N=N2)CC(C)(C)C1	REAL300020217976	0	52	-1.0	-43.67	399.04	4.43	-39.24
CC(C)(C)OC(=O)N1CC(NC(=O)CCC2=NN=N[N-]2)CC(C)(C)C1	REAL300020217976	1	52	-1.0	-43.69	399.10	4.44	-39.25
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COC1=CC=C2N=C(NC(=O)CCC3=NN=N[N-]3)SC2=N1	REAL300020217978	0	31	-1.0	-40.86	290.40	-0.27	-41.13
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COC(=O)CCC1=CC=CC=C1CNC(=O)CCC1=N[N-]N=N1	REAL300020217981	0	41	-1.0	-43.93	348.96	4.97	-38.96
COC(=O)CCC1=CC=CC=C1CNC(=O)CCC1=NN=N[N-]1	REAL300020217981	1	41	-1.0	-43.91	349.01	4.98	-38.93
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COCCC1(C(=O)OC)CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300020217983	0	45	-1.0	-42.34	349.09	3.39	-38.95
COCCC1(C(=O)OC)CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020217983	1	45	-1.0	-42.29	349.15	3.41	-38.88
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CC(C)(C)OC(=O)N1CC2=C(N=C(NC(=O)CCC3=NN=N[N-]3)S2)C1(C)C	REAL300020217989	0	49	-1.0	-38.70	403.78	4.41	-34.29
CC(C)(C)OC(=O)N1CC2=C(N=C(NC(=O)CCC3=N[N-]N=N3)S2)C1(C)C	REAL300020217989	1	49	-1.0	-38.65	403.72	4.39	-34.26
O=C(CCC1=N[N-]N=N1)N1CCN(C2=C3C=CSC3=CC=C2)CC1	REAL300020217990	0	41	-1.0	-39.97	338.92	5.11	-34.86
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COCCOCCOCC(O)CNC(=O)CCC1=N[N-]N=N1	REAL300020217991	0	44	-1.0	-44.43	374.42	-2.86	-47.29
COCCOCCOCC(O)CNC(=O)CCC1=NN=N[N-]1	REAL300020217991	1	44	-1.0	-44.42	374.48	-2.84	-47.26
CC(C)CC(=O)N1CCCC(NC(=O)CCC2=N[N-]N=N2)C1	REAL300020217992	0	45	-1.0	-46.16	353.82	3.36	-42.80
CC(C)CC(=O)N1CCCC(NC(=O)CCC2=NN=N[N-]2)C1	REAL300020217992	1	45	-1.0	-46.14	353.88	3.37	-42.77
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O=C(CCC1=NN=N[N-]1)NCC1(C2=CC=CC=C2)CCOC1	REAL300020217993	1	40	-1.0	-40.37	321.78	3.76	-36.61
CN(C(=O)CCC1=N[N-]N=N1)C1CS(=O)(=O)C12CCOCC2	REAL300020217994	0	40	-1.0	-45.86	304.92	-0.50	-46.36
CN(C(=O)CCC1=NN=N[N-]1)C1CS(=O)(=O)C12CCOCC2	REAL300020217994	1	40	-1.0	-45.86	304.98	-0.48	-46.34
C=CCN(CC1=CC=C(Br)C=C1)C(=O)CCC1=N[N-]N=N1	REAL300020217995	0	36	-1.0	-40.35	330.03	6.94	-33.41
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COC(=O)C(NC(=O)CCC1=N[N-]N=N1)C1=CC=C(C(C)(C)C)C=C1	REAL300020217996	0	47	-1.0	-42.91	385.44	6.07	-36.84
COC(=O)C(NC(=O)CCC1=NN=N[N-]1)C1=CC=C(C(C)(C)C)C=C1	REAL300020217996	1	47	-1.0	-42.90	385.49	6.09	-36.81
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CC(C)(C)OC(=O)N1CCN([C@@H]2CCC[C@@H]2NC(=O)CCC2=N[N-]N=N2)CC1	REAL300020218000	0	58	-1.0	-44.66	433.66	5.11	-39.55
CC(C)(C)OC(=O)N1CCN([C@@H]2CCC[C@@H]2NC(=O)CCC2=NN=N[N-]2)CC1	REAL300020218000	1	58	-1.0	-44.64	433.72	5.12	-39.52
CS(=O)(=O)N1C2CCC1CC(NC(=O)CCC1=N[N-]N=N1)C2	REAL300020218001	0	41	-1.0	-46.94	327.27	1.01	-45.93
CS(=O)(=O)N1C2CCC1CC(NC(=O)CCC1=NN=N[N-]1)C2	REAL300020218001	1	41	-1.0	-46.93	327.33	1.02	-45.91
O=C(CCC1=N[N-]N=N1)N1CCC(S(=O)(=O)C2=CC=C(F)C=C2)CC1	REAL300020218002	0	42	-1.0	-47.07	358.58	3.47	-43.60
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COC1=CC=C(C)C(C2CCCN2C(=O)CCC2=N[N-]N=N2)=C1	REAL300020218003	0	43	-1.0	-45.73	343.45	5.95	-39.78
COC1=CC=C(C)C(C2CCCN2C(=O)CCC2=NN=N[N-]2)=C1	REAL300020218003	1	43	-1.0	-45.73	343.50	5.96	-39.77
CN1C=C(C2=CC=C(CNC(=O)CCC3=NN=N[N-]3)C=C2)C=N1	REAL300020218004	0	39	-1.0	-43.82	337.76	4.01	-39.81
CN1C=C(C2=CC=C(CNC(=O)CCC3=N[N-]N=N3)C=C2)C=N1	REAL300020218004	1	39	-1.0	-43.84	337.71	3.99	-39.85
COC1=CC(C2CN(C(=O)CCC3=N[N-]N=N3)CCO2)=CC=C1F	REAL300020218005	0	41	-1.0	-41.13	342.29	3.61	-37.52
COC1=CC(C2CN(C(=O)CCC3=NN=N[N-]3)CCO2)=CC=C1F	REAL300020218005	1	41	-1.0	-41.13	342.35	3.62	-37.51
O=C(CCC1=N[N-]N=N1)NC(C1=CC=CC=C1)C1CC1C1=CC=CC=C1	REAL300020218006	0	46	-1.0	-41.18	378.84	8.99	-32.19
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CC1=CC(Br)=CC(C2CCCN2C(=O)CCC2=N[N-]N=N2)=C1	REAL300020218007	0	39	-1.0	-41.72	341.90	7.44	-34.28
CC1=CC(Br)=CC(C2CCCN2C(=O)CCC2=NN=N[N-]2)=C1	REAL300020218007	1	39	-1.0	-41.73	341.96	7.46	-34.27
COC(=O)C1CN(C(=O)CCC2=N[N-]N=N2)CC12CCCC2	REAL300020218008	0	42	-1.0	-40.44	333.69	4.89	-35.55
COC(=O)C1CN(C(=O)CCC2=NN=N[N-]2)CC12CCCC2	REAL300020218008	1	42	-1.0	-40.45	333.74	4.90	-35.55
O=C(CCC1=N[N-]N=N1)NCC1(O)CCC2=CC=CC=C2C1	REAL300020218009	0	40	-1.0	-40.56	324.63	2.27	-38.29
O=C(CCC1=NN=N[N-]1)NCC1(O)CCC2=CC=CC=C2C1	REAL300020218009	1	40	-1.0	-40.55	324.69	2.28	-38.27
CC(C)(C)OC(=O)NCCS(C)(=O)=NC(=O)CCC1=N[N-]N=N1	REAL300020218010	0	44	-1.0	-58.86	372.34	-0.56	-59.42
CC(C)(C)OC(=O)NCCS(C)(=O)=NC(=O)CCC1=NN=N[N-]1	REAL300020218010	1	44	-1.0	-58.78	372.40	-0.54	-59.32
COC(=O)C(CC1=CC=CC(Br)=C1)NC(=O)CCC1=N[N-]N=N1	REAL300020218011	0	38	-1.0	-44.41	352.56	5.29	-39.12
COC(=O)C(CC1=CC=CC(Br)=C1)NC(=O)CCC1=NN=N[N-]1	REAL300020218011	1	38	-1.0	-44.41	352.62	5.30	-39.11
CC(C)(C)OC(=O)[C@]12C[C@H]1[C@H](NC(=O)CCC1=N[N-]N=N1)C2	REAL300020218012	0	42	-1.0	-41.30	346.48	4.56	-36.74
CC(C)(C)OC(=O)[C@]12C[C@H]1[C@H](NC(=O)CCC1=NN=N[N-]1)C2	REAL300020218012	1	42	-1.0	-41.24	346.54	4.57	-36.67
O=C(CCC1=N[N-]N=N1)NCCCC1=CC=NC2=CC=CC=C12	REAL300020218013	0	40	-1.0	-43.39	338.52	4.49	-38.90
O=C(CCC1=NN=N[N-]1)NCCCC1=CC=NC2=CC=CC=C12	REAL300020218013	1	40	-1.0	-43.40	338.58	4.51	-38.89
O=C(CCC1=N[N-]N=N1)NC1=CNC2=CC(Br)=CC=C12	REAL300020218014	0	30	-1.0	-38.61	284.01	3.21	-35.40
O=C(CCC1=NN=N[N-]1)NC1=CNC2=CC(Br)=CC=C12	REAL300020218014	1	30	-1.0	-38.63	284.07	3.23	-35.40
O=C(CCC1=NN=N[N-]1)NC1=NN(CC2=CC=C(F)C=C2)C=C1	REAL300020218015	0	36	-1.0	-44.20	321.45	5.25	-38.95
O=C(CCC1=N[N-]N=N1)NC1=NN(CC2=CC=C(F)C=C2)C=C1	REAL300020218015	1	36	-1.0	-44.20	321.39	5.23	-38.97
O=C(CCC1=N[N-]N=N1)NC(CCO)C1=CC=C(F)C=C1F	REAL300020218016	0	36	-1.0	-40.15	311.16	0.95	-39.20
O=C(CCC1=NN=N[N-]1)NC(CCO)C1=CC=C(F)C=C1F	REAL300020218016	1	36	-1.0	-40.10	311.22	0.98	-39.12
CC1=CC=C(C(NC(=O)CCC2=N[N-]N=N2)C(O)C2CC2)C=C1F	REAL300020218017	0	43	-1.0	-40.75	358.30	4.40	-36.35
CC1=CC=C(C(NC(=O)CCC2=NN=N[N-]2)C(O)C2CC2)C=C1F	REAL300020218017	1	43	-1.0	-40.77	358.36	4.42	-36.35
O=C(CCC1=N[N-]N=N1)NC[C@]1(CO)C[C@H](OCC2=CC=CC=C2)C1	REAL300020218018	0	47	-1.0	-44.12	389.36	2.01	-42.11
O=C(CCC1=NN=N[N-]1)NC[C@]1(CO)C[C@H](OCC2=CC=CC=C2)C1	REAL300020218018	1	47	-1.0	-44.10	389.41	2.02	-42.08
C[C@@H]1CN(C(=O)CCC2=N[N-]N=N2)C[C@@]1(C)CNC(=O)OC(C)(C)C	REAL300020218019	0	52	-1.0	-45.82	397.84	3.78	-42.04
C[C@@H]1CN(C(=O)CCC2=NN=N[N-]2)C[C@@]1(C)CNC(=O)OC(C)(C)C	REAL300020218019	1	52	-1.0	-45.83	397.90	3.80	-42.03
COC1(OC)CCCC(CCNC(=O)CCC2=N[N-]N=N2)C1	REAL300020218020	0	46	-1.0	-40.27	353.22	2.56	-37.71
COC1(OC)CCCC(CCNC(=O)CCC2=NN=N[N-]2)C1	REAL300020218020	1	46	-1.0	-40.28	353.28	2.58	-37.70
CC1=NN(CCNC(=O)CCC2=N[N-]N=N2)C(C)=C1I	REAL300020218021	0	35	-1.0	-43.05	327.36	2.75	-40.30
CC1=NN(CCNC(=O)CCC2=NN=N[N-]2)C(C)=C1I	REAL300020218021	1	35	-1.0	-43.05	327.41	2.76	-40.29
CC1CC(NC(=O)CCC2=N[N-]N=N2)CN1C(=O)OC(C)(C)C	REAL300020218022	0	46	-1.0	-43.03	366.16	2.94	-40.09
CC1CC(NC(=O)CCC2=NN=N[N-]2)CN1C(=O)OC(C)(C)C	REAL300020218022	1	46	-1.0	-43.00	366.22	2.96	-40.04
CCOP(=O)(CCCNC(=O)CCC1=N[N-]N=N1)OCC	REAL300020218023	0	42	-1.0	-45.53	361.90	2.52	-43.01
CCOP(=O)(CCCNC(=O)CCC1=NN=N[N-]1)OCC	REAL300020218023	1	42	-1.0	-45.55	361.96	2.53	-43.02
COCCOC1=CC=NC(CNC(=O)CCC2=N[N-]N=N2)=C1	REAL300020218024	0	39	-1.0	-43.78	337.78	0.36	-43.42
COCCOC1=CC=NC(CNC(=O)CCC2=NN=N[N-]2)=C1	REAL300020218024	1	39	-1.0	-43.77	337.84	0.37	-43.40
CC(C)(C)OC(=O)N1CCC2CCCC(C1)N2C(=O)CCC1=N[N-]N=N1	REAL300020218025	0	53	-1.0	-41.33	386.44	6.52	-34.81
CC(C)(C)OC(=O)N1CCC2CCCC(C1)N2C(=O)CCC1=NN=N[N-]1	REAL300020218025	1	53	-1.0	-41.35	386.50	6.53	-34.82
CC(C)(C)OC(=O)N1CCC2(C1)CCC(NC(=O)CCC1=N[N-]N=N1)CC2	REAL300020218026	0	56	-1.0	-44.44	423.24	4.91	-39.53
CC(C)(C)OC(=O)N1CCC2(C1)CCC(NC(=O)CCC1=NN=N[N-]1)CC2	REAL300020218026	1	56	-1.0	-44.47	423.29	4.93	-39.54
COC1=CC=C(C(NC(=O)CCC2=N[N-]N=N2)C(F)F)C=C1	REAL300020218027	0	36	-1.0	-39.17	315.53	3.05	-36.12
COC1=CC=C(C(NC(=O)CCC2=NN=N[N-]2)C(F)F)C=C1	REAL300020218027	1	36	-1.0	-39.13	315.58	3.06	-36.07
C[NH+]1CCN(C(CNC(=O)CCC2=N[N-]N=N2)C2=CC=C(F)C=C2)CC1	REAL300020218028	0	50	0.0	-60.36	384.19	4.72	-55.64
C[NH+]1CCN(C(CNC(=O)CCC2=NN=N[N-]2)C2=CC=C(F)C=C2)CC1	REAL300020218028	1	50	0.0	-60.36	384.24	4.73	-55.63
CN1CCN(C(CNC(=O)CCC2=N[N-]N=N2)C2=CC=C(F)C=C2)CC1	REAL300020218028	1	49	-1.0	-40.28	381.31	2.37	-37.91
CN1CCN(C(CNC(=O)CCC2=NN=N[N-]2)C2=CC=C(F)C=C2)CC1	REAL300020218028	1	49	-1.0	-40.28	381.37	2.38	-37.90
O=C(CCC1=N[N-]N=N1)N1CCCC1C1=CC(F)=CC=C1Cl	REAL300020218029	0	36	-1.0	-41.63	317.41	6.62	-35.01
O=C(CCC1=NN=N[N-]1)N1CCCC1C1=CC(F)=CC=C1Cl	REAL300020218029	1	36	-1.0	-41.63	317.46	6.63	-35.00
O=C(CCC1=N[N-]N=N1)NCCCCCC(=O)NC1=CC=CC=C1	REAL300020218030	0	45	-1.0	-46.55	377.36	4.06	-42.49
O=C(CCC1=NN=N[N-]1)NCCCCCC(=O)NC1=CC=CC=C1	REAL300020218030	1	45	-1.0	-46.56	377.42	4.07	-42.49
O=C(CCC1=N[N-]N=N1)NC1=CC=CC=C1C(=O)NCCC1=CC=CS1	REAL300020218031	0	43	-1.0	-47.19	375.53	4.99	-42.20
O=C(CCC1=NN=N[N-]1)NC1=CC=CC=C1C(=O)NCCC1=CC=CS1	REAL300020218031	1	43	-1.0	-47.19	375.60	5.00	-42.19
O=C(CCC1=N[N-]N=N1)NCC1=CN=C(C2=CC=CC=C2)C=N1	REAL300020218032	0	37	-1.0	-42.11	324.28	2.61	-39.50
O=C(CCC1=NN=N[N-]1)NCC1=CN=C(C2=CC=CC=C2)C=N1	REAL300020218032	1	37	-1.0	-42.15	324.34	2.63	-39.52
O=C(CCC1=N[N-]N=N1)NC1C[N@H+](CC2=CC=CC=C2)C2(CCCC2)C1	REAL300020218033	0	52	0.0	-58.13	393.32	6.94	-51.19
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CC(C)(C)OC(=O)N1CCC(O)(CCNC(=O)CCC2=NN=N[N-]2)CC1	REAL300020218086	1	53	-1.0	-43.12	408.05	1.24	-41.88
CCCNC1=CC=C(S(N)(=O)=O)C=C1NC(=O)CCC1=N[N-]N=N1	REAL300020218087	0	42	-1.0	-46.75	361.15	-1.82	-48.57
CCCNC1=CC=C(S(N)(=O)=O)C=C1NC(=O)CCC1=NN=N[N-]1	REAL300020218087	1	42	-1.0	-46.74	361.21	-1.80	-48.54
O=C(CCC1=N[N-]N=N1)N(CC1=CC=CC=C1)CC(F)(F)F	REAL300020218088	0	35	-1.0	-41.48	308.32	5.98	-35.50
O=C(CCC1=NN=N[N-]1)N(CC1=CC=CC=C1)CC(F)(F)F	REAL300020218088	1	35	-1.0	-41.49	308.37	5.99	-35.50
CC(C)(C)OC(=O)N1CCC12CCN(C(=O)CCC1=N[N-]N=N1)C2	REAL300020218089	0	47	-1.0	-52.67	375.98	4.27	-48.40
CC(C)(C)OC(=O)N1CCC12CCN(C(=O)CCC1=NN=N[N-]1)C2	REAL300020218089	1	47	-1.0	-52.64	376.04	4.28	-48.36
CC(C)(C)OC(=O)N1CCC(NC(=O)CCC2=N[N-]N=N2)(C(N)=O)CC1	REAL300020218090	0	50	-1.0	-46.47	389.12	0.18	-46.29
CC(C)(C)OC(=O)N1CCC(NC(=O)CCC2=NN=N[N-]2)(C(N)=O)CC1	REAL300020218090	1	50	-1.0	-46.45	389.17	0.20	-46.25
CC(C)C(NC(=O)CCC1=N[N-]N=N1)C(=O)C1=CC=CC=C1	REAL300020218091	0	40	-1.0	-38.51	328.11	4.42	-34.09
CC(C)C(NC(=O)CCC1=NN=N[N-]1)C(=O)C1=CC=CC=C1	REAL300020218091	1	40	-1.0	-38.56	328.17	4.43	-34.13
CC(C)OC1=CC(C#N)=CC=C1NC(=O)CCC1=N[N-]N=N1	REAL300020218092	0	37	-1.0	-39.13	321.08	3.99	-35.14
CC(C)OC1=CC(C#N)=CC=C1NC(=O)CCC1=NN=N[N-]1	REAL300020218092	1	37	-1.0	-39.08	321.14	4.01	-35.07
CC(C)(C)OC(=O)N1C2CC1CN(C(=O)CCC1=N[N-]N=N1)C2	REAL300020218093	0	44	-1.0	-42.22	350.09	4.16	-38.06
CC(C)(C)OC(=O)N1C2CC1CN(C(=O)CCC1=NN=N[N-]1)C2	REAL300020218093	1	44	-1.0	-42.23	350.15	4.17	-38.06
CC1=CSC(C(=O)CNC(=O)CCC2=N[N-]N=N2)=C1Cl	REAL300020218094	0	31	-1.0	-42.13	301.60	2.84	-39.29
CC1=CSC(C(=O)CNC(=O)CCC2=NN=N[N-]2)=C1Cl	REAL300020218094	1	31	-1.0	-42.08	301.66	2.85	-39.23
CS(=O)(=O)N[C@H]1CCCN(C(=O)CCC2=N[N-]N=N2)C1	REAL300020218095	0	37	-1.0	-45.74	309.02	-1.25	-46.99
CS(=O)(=O)N[C@H]1CCCN(C(=O)CCC2=NN=N[N-]2)C1	REAL300020218095	1	37	-1.0	-45.74	309.08	-1.23	-46.97
O=C(CCC1=N[N-]N=N1)NCC1=C(O)C=CC=C1Br	REAL300020218096	0	30	-1.0	-41.48	285.35	0.39	-41.09
O=C(CCC1=NN=N[N-]1)NCC1=C(O)C=CC=C1Br	REAL300020218096	1	30	-1.0	-41.48	285.41	0.41	-41.07
O=C(CCC1=N[N-]N=N1)NC1COC2=CC=CC=C2NC1=O	REAL300020218097	0	35	-1.0	-43.42	298.06	0.46	-42.96
O=C(CCC1=NN=N[N-]1)NC1COC2=CC=CC=C2NC1=O	REAL300020218097	1	35	-1.0	-43.38	298.12	0.47	-42.91
COC1=C(Br)C=C2N=C(NC(=O)CCC3=NN=N[N-]3)SC2=N1	REAL300020218098	0	31	-1.0	-38.25	310.82	0.39	-37.86
COC1=C(Br)C=C2N=C(NC(=O)CCC3=N[N-]N=N3)SC2=N1	REAL300020218098	1	31	-1.0	-38.23	310.76	0.37	-37.86
O=C(CCC1=N[N-]N=N1)NCC1(C2=CC=CC=C2)CCOC1	REAL300020218099	0	40	-1.0	-40.38	321.72	3.74	-36.64
O=C(CCC1=NN=N[N-]1)NCC1(C2=CC=CC=C2)CCOC1	REAL300020218099	1	40	-1.0	-40.37	321.78	3.76	-36.61
O=C(CCC1=N[N-]N=N1)NC1CCC2=NC(C(F)(F)F)=CN2C1	REAL300020218100	0	36	-1.0	-43.18	319.80	3.26	-39.92
O=C(CCC1=NN=N[N-]1)NC1CCC2=NC(C(F)(F)F)=CN2C1	REAL300020218100	1	36	-1.0	-43.19	319.86	3.28	-39.91
C[C@@H]1CN(C2=CC=C(NC(=O)CCC3=N[N-]N=N3)C=C2C(F)(F)F)C[C@H](C)O1	REAL300020218101	0	48	-1.0	-38.50	399.22	4.72	-33.78
C[C@@H]1CN(C2=CC=C(NC(=O)CCC3=NN=N[N-]3)C=C2C(F)(F)F)C[C@H](C)O1	REAL300020218101	1	48	-1.0	-38.48	399.28	4.73	-33.75
CN1C=NC2=C1CCN(C(=O)CCC1=N[N-]N=N1)C21CCOCC1	REAL300020218102	0	44	-1.0	-44.47	333.37	4.38	-40.09
CN1C=NC2=C1CCN(C(=O)CCC1=NN=N[N-]1)C21CCOCC1	REAL300020218102	1	44	-1.0	-44.49	333.42	4.39	-40.10
O=C(CCC1=N[N-]N=N1)N1CCN(S(=O)(=O)N2CC(O)C2)CC1	REAL300020218103	0	41	-1.0	-46.67	346.56	-3.47	-50.14
O=C(CCC1=NN=N[N-]1)N1CCN(S(=O)(=O)N2CC(O)C2)CC1	REAL300020218103	1	41	-1.0	-46.70	346.62	-3.45	-50.15
COC(=O)CC[C@H]1C[C@@H](C(=O)OC)N(C(=O)CCC2=N[N-]N=N2)C1	REAL300020218104	0	44	-1.0	-49.71	371.30	5.12	-44.59
COC(=O)CC[C@H]1C[C@@H](C(=O)OC)N(C(=O)CCC2=NN=N[N-]2)C1	REAL300020218104	1	44	-1.0	-49.74	371.36	5.14	-44.60
O=C(CCC1=NN=N[N-]1)NC1=CC=C(C2=NOC(C(F)(F)F)=C2)C=C1	REAL300020218105	0	35	-1.0	-39.64	327.47	4.79	-34.85
O=C(CCC1=N[N-]N=N1)NC1=CC=C(C2=NOC(C(F)(F)F)=C2)C=C1	REAL300020218105	1	35	-1.0	-39.63	327.41	4.78	-34.85
CC1=NC=CN1C1=CC=C(CNC(=O)CCC2=N[N-]N=N2)C=C1	REAL300020218106	0	39	-1.0	-42.35	337.41	5.18	-37.17
CC1=NC=CN1C1=CC=C(CNC(=O)CCC2=NN=N[N-]2)C=C1	REAL300020218106	1	39	-1.0	-42.35	337.46	5.19	-37.16
O=C(CCC1=N[N-]N=N1)N1CCC2=C(Br)C=C(F)C=C2C1	REAL300020218107	0	33	-1.0	-38.45	298.39	5.57	-32.88
O=C(CCC1=NN=N[N-]1)N1CCC2=C(Br)C=C(F)C=C2C1	REAL300020218107	1	33	-1.0	-38.45	298.45	5.59	-32.86
O=C(CCC1=N[N-]N=N1)N1CCCOC(C2=CC=CC=C2Cl)C1	REAL300020218108	0	40	-1.0	-42.07	336.73	6.19	-35.88
O=C(CCC1=NN=N[N-]1)N1CCCOC(C2=CC=CC=C2Cl)C1	REAL300020218108	1	40	-1.0	-42.06	336.79	6.20	-35.86
CN(CC1=NN=C(C2=CC=CC=C2)N1)C(=O)CCC1=NN=N[N-]1	REAL300020218109	0	38	-1.0	-52.66	329.99	5.15	-47.51
CN(CC1=NN=C(C2=CC=CC=C2)N1)C(=O)CCC1=N[N-]N=N1	REAL300020218109	1	38	-1.0	-52.68	329.93	5.14	-47.54
O=C(CCC1=N[N-]N=N1)NC1=CC=C(C2CCOCC2)C=C1F	REAL300020218110	0	40	-1.0	-39.35	329.13	4.08	-35.27
O=C(CCC1=NN=N[N-]1)NC1=CC=C(C2CCOCC2)C=C1F	REAL300020218110	1	40	-1.0	-39.32	329.19	4.10	-35.22
COC(=O)[C@H]1C[C@@H](C(C)(C)C)CN(C(=O)CCC2=N[N-]N=N2)C1	REAL300020218111	0	47	-1.0	-39.27	358.98	5.42	-33.85
COC(=O)[C@H]1C[C@@H](C(C)(C)C)CN(C(=O)CCC2=NN=N[N-]2)C1	REAL300020218111	1	47	-1.0	-39.25	359.03	5.43	-33.82
CC1=CC(CC2=CC=C(NC(=O)CCC3=N[N-]N=N3)C=C2)=CC(C)=N1	REAL300020218112	0	44	-1.0	-43.54	372.67	6.48	-37.06
CC1=CC(CC2=CC=C(NC(=O)CCC3=NN=N[N-]3)C=C2)=CC(C)=N1	REAL300020218112	1	44	-1.0	-43.56	372.73	6.50	-37.06
O=C(CCC1=N[N-]N=N1)NCC1=CC=CC=C1OCC1CCCCC1	REAL300020218113	0	49	-1.0	-41.31	391.11	6.36	-34.95
O=C(CCC1=NN=N[N-]1)NCC1=CC=CC=C1OCC1CCCCC1	REAL300020218113	1	49	-1.0	-41.36	391.16	6.37	-34.99
COC(=O)[C@@H](CC1=CC=CC=C1)N(C)C(=O)CCC1=N[N-]N=N1	REAL300020218114	0	41	-1.0	-42.15	341.79	6.48	-35.67
COC(=O)[C@@H](CC1=CC=CC=C1)N(C)C(=O)CCC1=NN=N[N-]1	REAL300020218114	1	41	-1.0	-42.14	341.85	6.48	-35.66
COC1=CC(CCC(C)NC(=O)CCC2=N[N-]N=N2)=CC=C1O	REAL300020218115	0	43	-1.0	-43.04	360.61	2.37	-40.67
COC1=CC(CCC(C)NC(=O)CCC2=NN=N[N-]2)=CC=C1O	REAL300020218115	1	43	-1.0	-43.03	360.66	2.38	-40.65
O=C(CCC1=N[N-]N=N1)N1CC2(CCC2)CC1C(F)(F)F	REAL300020218116	0	36	-1.0	-40.16	301.83	4.98	-35.18
O=C(CCC1=NN=N[N-]1)N1CC2(CCC2)CC1C(F)(F)F	REAL300020218116	1	36	-1.0	-40.18	301.89	4.99	-35.19
COC(=O)C1CC2(CN1C(=O)CCC1=N[N-]N=N1)CCCCC2	REAL300020218117	0	45	-1.0	-43.94	348.56	5.66	-38.28
COC(=O)C1CC2(CN1C(=O)CCC1=NN=N[N-]1)CCCCC2	REAL300020218117	1	45	-1.0	-43.98	348.62	5.67	-38.31
CC(C)COC1=C(F)C=CC=C1NC(=O)CCC1=N[N-]N=N1	REAL300020218118	0	39	-1.0	-37.96	333.95	4.61	-33.35
CC(C)COC1=C(F)C=CC=C1NC(=O)CCC1=NN=N[N-]1	REAL300020218118	1	39	-1.0	-37.96	334.01	4.62	-33.34
CCN1C=NC2=C1CCN(C(=O)CCC1=N[N-]N=N1)C21CCOCC1	REAL300020218119	0	47	-1.0	-44.23	354.92	5.28	-38.95
CCN1C=NC2=C1CCN(C(=O)CCC1=NN=N[N-]1)C21CCOCC1	REAL300020218119	1	47	-1.0	-44.21	354.98	5.29	-38.92
CC1CN(C(=O)CCC2=N[N-]N=N2)CC(C)N(C(=O)OC(C)(C)C)C1	REAL300020218120	0	52	-1.0	-49.73	395.20	6.07	-43.66
CC1CN(C(=O)CCC2=NN=N[N-]2)CC(C)N(C(=O)OC(C)(C)C)C1	REAL300020218120	1	52	-1.0	-49.71	395.26	6.08	-43.63
CC(C)(C)OC(=O)NC1CCN(C(=O)CCC2=N[N-]N=N2)CCC1(F)F	REAL300020218121	0	49	-1.0	-44.24	383.60	4.29	-39.95
CC(C)(C)OC(=O)NC1CCN(C(=O)CCC2=NN=N[N-]2)CCC1(F)F	REAL300020218121	1	49	-1.0	-44.23	383.66	4.30	-39.93
O=C(CCC1=N[N-]N=N1)NC1C[N@H+](CC2=CC=CC=C2)C2(CCC2)C1	REAL300020218122	0	49	0.0	-58.30	379.31	6.53	-51.77
O=C(CCC1=N[N-]N=N1)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCC2)C1	REAL300020218122	1	49	0.0	-57.98	379.29	6.49	-51.49
O=C(CCC1=NN=N[N-]1)NC1C[N@H+](CC2=CC=CC=C2)C2(CCC2)C1	REAL300020218122	1	49	0.0	-58.35	379.37	6.54	-51.81
O=C(CCC1=NN=N[N-]1)NC1C[N@@H+](CC2=CC=CC=C2)C2(CCC2)C1	REAL300020218122	1	49	0.0	-58.01	379.35	6.51	-51.50
O=C(CCC1=N[N-]N=N1)NC(CO)C1=CC=C(F)C(Cl)=C1	REAL300020218123	0	33	-1.0	-40.59	306.49	0.91	-39.68
O=C(CCC1=NN=N[N-]1)NC(CO)C1=CC=C(F)C(Cl)=C1	REAL300020218123	1	33	-1.0	-40.57	306.55	0.93	-39.64
O=C(CCC1=N[N-]N=N1)NCC(=O)C1=CC(Cl)=CC(Br)=C1	REAL300020218124	0	31	-1.0	-39.33	315.20	3.71	-35.62
O=C(CCC1=NN=N[N-]1)NCC(=O)C1=CC(Cl)=CC(Br)=C1	REAL300020218124	1	31	-1.0	-39.35	315.26	3.73	-35.62
CC(NC(=O)CCC1=N[N-]N=N1)C(=O)C1=CC=C(F)C=C1F	REAL300020218125	0	34	-1.0	-42.31	306.09	3.39	-38.92
CC(NC(=O)CCC1=NN=N[N-]1)C(=O)C1=CC=C(F)C=C1F	REAL300020218125	1	34	-1.0	-42.25	306.14	3.41	-38.84
COC1=CC=C([C@H]2C[C@@H](NC(=O)CCC3=N[N-]N=N3)C2)C=C1	REAL300020218126	0	40	-1.0	-41.09	331.01	3.90	-37.19
COC1=CC=C([C@H]2C[C@@H](NC(=O)CCC3=NN=N[N-]3)C2)C=C1	REAL300020218126	1	40	-1.0	-41.05	331.07	3.92	-37.13
CN1C=C(OC2=CC=C(NC(=O)CCC3=NN=N[N-]3)C=C2)C=N1	REAL300020218127	0	37	-1.0	-43.84	324.87	3.20	-40.64
CN1C=C(OC2=CC=C(NC(=O)CCC3=N[N-]N=N3)C=C2)C=N1	REAL300020218127	1	37	-1.0	-43.84	324.81	3.19	-40.65
CC1=NN(CC(F)(F)F)C=C1NC(=O)CCC1=N[N-]N=N1	REAL300020218128	0	32	-1.0	-41.41	293.87	2.29	-39.12
CC1=NN(CC(F)(F)F)C=C1NC(=O)CCC1=NN=N[N-]1	REAL300020218128	1	32	-1.0	-41.39	293.93	2.30	-39.09
CN(CC1=NC2=C(C=NN2C)C(=O)N1)C(=O)CCC1=N[N-]N=N1	REAL300020218129	0	37	-1.0	-47.85	324.12	2.40	-45.45
CN(CC1=NC2=C(C=NN2C)C(=O)N1)C(=O)CCC1=NN=N[N-]1	REAL300020218129	1	37	-1.0	-47.80	324.17	2.42	-45.38
CC(C)(C)OC(=O)C1CN(C(=O)CCC2=N[N-]N=N2)CC12CCC2	REAL300020218130	0	48	-1.0	-40.04	373.83	6.40	-33.64
CC(C)(C)OC(=O)C1CN(C(=O)CCC2=NN=N[N-]2)CC12CCC2	REAL300020218130	1	48	-1.0	-40.05	373.89	6.42	-33.63
COC1=CC=C(F)C=C1CC1(NC(=O)CCC2=N[N-]N=N2)CC1	REAL300020218131	0	40	-1.0	-39.64	341.80	4.64	-35.00
COC1=CC=C(F)C=C1CC1(NC(=O)CCC2=NN=N[N-]2)CC1	REAL300020218131	1	40	-1.0	-39.65	341.86	4.66	-34.99
CN(C(=O)CCC1=N[N-]N=N1)C1(CNC(=O)OC(C)(C)C)CCOC1	REAL300020218132	0	50	-1.0	-42.82	381.03	3.25	-39.57
CN(C(=O)CCC1=NN=N[N-]1)C1(CNC(=O)OC(C)(C)C)CCOC1	REAL300020218132	1	50	-1.0	-42.82	381.09	3.27	-39.55
CC(C)(C)OC(=O)N1CCN(C(=O)CCC2=N[N-]N=N2)C2(CC2)C1	REAL300020218133	0	47	-1.0	-39.72	364.82	4.72	-35.00
CC(C)(C)OC(=O)N1CCN(C(=O)CCC2=NN=N[N-]2)C2(CC2)C1	REAL300020218133	1	47	-1.0	-39.71	364.88	4.73	-34.98
CC(C)(C)OC(=O)N1CC2(C1)CC(=O)CN2C(=O)CCC1=N[N-]N=N1	REAL300020218134	0	46	-1.0	-43.60	371.88	3.11	-40.49
CC(C)(C)OC(=O)N1CC2(C1)CC(=O)CN2C(=O)CCC1=NN=N[N-]1	REAL300020218134	1	46	-1.0	-43.64	371.94	3.12	-40.52
CC(C)(C)OC(=O)NC1CN(C(=O)CCC2=N[N-]N=N2)C2(CCOC2)C1	REAL300020218135	0	51	-1.0	-47.19	389.85	2.98	-44.21
CC(C)(C)OC(=O)NC1CN(C(=O)CCC2=NN=N[N-]2)C2(CCOC2)C1	REAL300020218135	1	51	-1.0	-47.18	389.91	2.99	-44.19
COC1COC2=CC=CC=C2C1NC(=O)CCC1=N[N-]N=N1	REAL300020218136	0	38	-1.0	-41.43	314.86	1.50	-39.93
COC1COC2=CC=CC=C2C1NC(=O)CCC1=NN=N[N-]1	REAL300020218136	1	38	-1.0	-41.42	314.92	1.51	-39.91
COC1=CC=C(C(CC(N)=O)NC(=O)CCC2=N[N-]N=N2)C=C1Br	REAL300020218137	0	40	-1.0	-46.92	356.58	0.23	-46.69
COC1=CC=C(C(CC(N)=O)NC(=O)CCC2=NN=N[N-]2)C=C1Br	REAL300020218137	1	40	-1.0	-46.95	356.64	0.24	-46.71
C=CCC1(NC(=O)CCC2=N[N-]N=N2)CN(C(=O)OC(C)(C)C)C1	REAL300020218138	0	47	-1.0	-45.87	383.12	3.26	-42.61
C=CCC1(NC(=O)CCC2=NN=N[N-]2)CN(C(=O)OC(C)(C)C)C1	REAL300020218138	1	47	-1.0	-45.91	383.18	3.27	-42.64
O=C(CCC1=N[N-]N=N1)N1CC23CCCCC2(C1)C(=O)NC3=O	REAL300020218139	0	40	-1.0	-46.78	320.16	0.80	-45.98
O=C(CCC1=NN=N[N-]1)N1CC23CCCCC2(C1)C(=O)NC3=O	REAL300020218139	1	40	-1.0	-46.78	320.22	0.82	-45.96
CC(C)(C)OC(=O)NCC1=CC=C2C(=C1)CCC2NC(=O)CCC1=N[N-]N=N1	REAL300020218140	0	53	-1.0	-44.42	426.27	4.33	-40.09
CC(C)(C)OC(=O)NCC1=CC=C2C(=C1)CCC2NC(=O)CCC1=NN=N[N-]1	REAL300020218140	1	53	-1.0	-44.46	426.33	4.34	-40.12
CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H](CNC(=O)CCC2=N[N-]N=N2)C1	REAL300020218141	0	55	-1.0	-43.28	425.07	3.63	-39.65
CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H](CNC(=O)CCC2=NN=N[N-]2)C1	REAL300020218141	1	55	-1.0	-43.30	425.13	3.65	-39.65
CC(C)(C)OC(=O)NC1CN(C(=O)CCC2=N[N-]N=N2)C2(CCC2)C1	REAL300020218142	0	50	-1.0	-45.79	387.89	3.65	-42.14
CC(C)(C)OC(=O)NC1CN(C(=O)CCC2=NN=N[N-]2)C2(CCC2)C1	REAL300020218142	1	50	-1.0	-45.80	387.95	3.67	-42.13
CC(C)(C)OC(=O)NC1CN(C(=O)CCC2=N[N-]N=N2)C2(C1)CCCCC2	REAL300020218143	0	56	-1.0	-42.65	409.30	4.50	-38.15
CC(C)(C)OC(=O)NC1CN(C(=O)CCC2=NN=N[N-]2)C2(C1)CCCCC2	REAL300020218143	1	56	-1.0	-42.67	409.36	4.52	-38.15
CC(C)(C)OC(=O)NC1CN(C(=O)CCC2=N[N-]N=N2)C2(CCCC2)C1	REAL300020218144	0	53	-1.0	-45.11	400.99	4.42	-40.69
CC(C)(C)OC(=O)NC1CN(C(=O)CCC2=NN=N[N-]2)C2(CCCC2)C1	REAL300020218144	1	53	-1.0	-45.13	401.05	4.43	-40.70
O=C(CCC1=N[N-]N=N1)NCCC1=NC2=C(CCCCC2)S1	REAL300020218145	0	41	-1.0	-42.73	344.97	3.75	-38.98
O=C(CCC1=NN=N[N-]1)NCCC1=NC2=C(CCCCC2)S1	REAL300020218145	1	41	-1.0	-42.70	345.03	3.76	-38.94
COC(=O)CCC1=CC=C2CN(C(=O)CCC3=N[N-]N=N3)CCC2=C1	REAL300020218146	0	45	-1.0	-42.31	372.31	7.23	-35.08
COC(=O)CCC1=CC=C2CN(C(=O)CCC3=NN=N[N-]3)CCC2=C1	REAL300020218146	1	45	-1.0	-42.29	372.37	7.25	-35.04
COC(=O)C1(CNC(=O)OC(C)(C)C)CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300020218147	0	55	-1.0	-44.06	422.94	4.08	-39.98
COC(=O)C1(CNC(=O)OC(C)(C)C)CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020218147	1	55	-1.0	-44.00	423.00	4.09	-39.91
CC1(C(F)(F)F)CCN(C(=O)CCC2=N[N-]N=N2)CCO1	REAL300020218148	0	36	-1.0	-38.32	285.76	3.35	-34.97
CC1(C(F)(F)F)CCN(C(=O)CCC2=NN=N[N-]2)CCO1	REAL300020218148	1	36	-1.0	-38.35	285.81	3.37	-34.98
CC(C)(C)OC(=O)N1CC(NC(=O)CCC2=N[N-]N=N2)CC2(CC2)C1	REAL300020218149	0	50	-1.0	-43.82	394.28	4.34	-39.48
CC(C)(C)OC(=O)N1CC(NC(=O)CCC2=NN=N[N-]2)CC2(CC2)C1	REAL300020218149	1	50	-1.0	-43.79	394.33	4.35	-39.44
CC(C)(C)OC(=O)NCC1(CNC(=O)CCC2=N[N-]N=N2)CCC1	REAL300020218150	0	49	-1.0	-43.14	387.95	2.33	-40.81
CC(C)(C)OC(=O)NCC1(CNC(=O)CCC2=NN=N[N-]2)CCC1	REAL300020218150	1	49	-1.0	-43.15	388.00	2.35	-40.80
CC(C)(C)OC(=O)N1CC2CC(NC(=O)CCC3=N[N-]N=N3)CC2C1	REAL300020218151	0	50	-1.0	-43.72	388.91	3.89	-39.83
CC(C)(C)OC(=O)N1CC2CC(NC(=O)CCC3=NN=N[N-]3)CC2C1	REAL300020218151	1	50	-1.0	-43.73	388.97	3.90	-39.83
CC(C)(C)OC(=O)N1CC[C@@H](F)[C@@H](NC(=O)CCC2=N[N-]N=N2)C1	REAL300020218152	0	46	-1.0	-45.85	367.19	3.09	-42.76
CC(C)(C)OC(=O)N1CC[C@@H](F)[C@@H](NC(=O)CCC2=NN=N[N-]2)C1	REAL300020218152	1	46	-1.0	-45.90	367.25	3.10	-42.80
CC(C)(C)OC(=O)NCC12CC(NC(=O)CCC3=N[N-]N=N3)(C1)C1(COC1)O2	REAL300020218153	0	53	-1.0	-41.62	421.23	-0.86	-42.48
CC(C)(C)OC(=O)NCC12CC(NC(=O)CCC3=NN=N[N-]3)(C1)C1(COC1)O2	REAL300020218153	1	53	-1.0	-41.62	421.28	-0.85	-42.47
C=CCC1(NC(=O)CCC2=N[N-]N=N2)CCN(C(=O)OC(C)(C)C)C1	REAL300020218154	0	50	-1.0	-40.66	394.29	4.04	-36.62
C=CCC1(NC(=O)CCC2=NN=N[N-]2)CCN(C(=O)OC(C)(C)C)C1	REAL300020218154	1	50	-1.0	-40.69	394.35	4.06	-36.63
CC(C)(C)OC(=O)N1CCCC2(NC(=O)CCC3=N[N-]N=N3)CCCC12	REAL300020218155	0	53	-1.0	-41.51	391.53	5.81	-35.70
CC(C)(C)OC(=O)N1CCCC2(NC(=O)CCC3=NN=N[N-]3)CCCC12	REAL300020218155	1	53	-1.0	-41.48	391.59	5.82	-35.66
O=C(CCC1=N[N-]N=N1)NC1COC2=CC=C(Br)C=C2C1	REAL300020218156	0	34	-1.0	-40.10	310.32	3.26	-36.84
O=C(CCC1=NN=N[N-]1)NC1COC2=CC=C(Br)C=C2C1	REAL300020218156	1	34	-1.0	-40.09	310.38	3.28	-36.81
COC1=CC=C2CCC(NC(=O)CCC3=N[N-]N=N3)CC2=C1	REAL300020218157	0	40	-1.0	-43.26	327.61	3.79	-39.47
COC1=CC=C2CCC(NC(=O)CCC3=NN=N[N-]3)CC2=C1	REAL300020218157	1	40	-1.0	-43.27	327.67	3.81	-39.46
CC(NC(=O)CCC1=N[N-]N=N1)C1=NC(C2=CC=CS2)=NN1	REAL300020218158	0	35	-1.0	-41.95	323.91	2.51	-39.44
CC(NC(=O)CCC1=NN=N[N-]1)C1=NC(C2=CC=CS2)=NN1	REAL300020218158	1	35	-1.0	-41.95	323.97	2.53	-39.42
CC(C)(C)OC(=O)N1CC2(C1)CCC(NC(=O)CCC1=N[N-]N=N1)CC2	REAL300020218159	0	53	-1.0	-44.15	412.82	4.46	-39.69
CC(C)(C)OC(=O)N1CC2(C1)CCC(NC(=O)CCC1=NN=N[N-]1)CC2	REAL300020218159	1	53	-1.0	-44.12	412.88	4.47	-39.65
CCOC(=O)C1CNC(=O)CC12CCN(C(=O)CCC1=N[N-]N=N1)CC2	REAL300020218160	0	49	-1.0	-49.01	361.51	2.40	-46.61
CCOC(=O)C1CNC(=O)CC12CCN(C(=O)CCC1=NN=N[N-]1)CC2	REAL300020218160	1	49	-1.0	-49.00	361.57	2.41	-46.59
CC(C)(C)OC(=O)N1CCC(F)(CNC(=O)CCC2=N[N-]N=N2)CC1	REAL300020218161	0	49	-1.0	-41.93	386.61	3.82	-38.11
CC(C)(C)OC(=O)N1CCC(F)(CNC(=O)CCC2=NN=N[N-]2)CC1	REAL300020218161	1	49	-1.0	-41.94	386.66	3.83	-38.11
CN1CCN(C(=O)OC(C)(C)C)C(CNC(=O)CCC2=N[N-]N=N2)C1	REAL300020218162	0	51	-1.0	-45.00	392.27	0.97	-44.03
CN1CCN(C(=O)OC(C)(C)C)C(CNC(=O)CCC2=NN=N[N-]2)C1	REAL300020218162	1	51	-1.0	-45.02	392.33	0.98	-44.04
O=C(CCC1=N[N-]N=N1)NC(C1=CC=C(Cl)C=C1)C1=CC=CC(F)=C1	REAL300020218163	0	39	-1.0	-40.68	355.67	7.33	-33.35
O=C(CCC1=NN=N[N-]1)NC(C1=CC=C(Cl)C=C1)C1=CC=CC(F)=C1	REAL300020218163	1	39	-1.0	-40.66	355.73	7.34	-33.32
O=C(CCC1=N[N-]N=N1)NCCOC1CCS(=O)(=O)C1	REAL300020218164	0	36	-1.0	-48.36	317.43	-2.20	-50.56
O=C(CCC1=NN=N[N-]1)NCCOC1CCS(=O)(=O)C1	REAL300020218164	1	36	-1.0	-48.39	317.49	-2.18	-50.57
N#CC(C1=CC=CC=C1)C1CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300020218165	0	43	-1.0	-42.29	351.48	7.08	-35.21
N#CC(C1=CC=CC=C1)C1CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020218165	1	43	-1.0	-42.30	351.54	7.09	-35.21
O=C(CCC1=N[N-]N=N1)N1CCC2=CC(OCC3=CC=C(F)C=C3)=CC=C2C1	REAL300020218166	0	47	-1.0	-41.57	391.68	8.32	-33.25
O=C(CCC1=NN=N[N-]1)N1CCC2=CC(OCC3=CC=C(F)C=C3)=CC=C2C1	REAL300020218166	1	47	-1.0	-41.56	391.74	8.34	-33.22
CC1=CC=CC(N2CCCC(NC(=O)CCC3=N[N-]N=N3)C2)=C1	REAL300020218167	0	44	-1.0	-40.44	349.66	3.94	-36.50
CC1=CC=CC(N2CCCC(NC(=O)CCC3=NN=N[N-]3)C2)=C1	REAL300020218167	1	44	-1.0	-40.46	349.72	3.96	-36.50
CC1=CC=CC=C1CN1C=CC(NC(=O)CCC2=NN=N[N-]2)=N1	REAL300020218168	0	39	-1.0	-42.92	329.12	5.84	-37.08
CC1=CC=CC=C1CN1C=CC(NC(=O)CCC2=N[N-]N=N2)=N1	REAL300020218168	1	39	-1.0	-42.94	329.06	5.83	-37.11
O=C(CCC1=N[N-]N=N1)NC1=CC=C(I)C(F)=C1	REAL300020218169	0	26	-1.0	-37.07	264.81	3.72	-33.35
O=C(CCC1=NN=N[N-]1)NC1=CC=C(I)C(F)=C1	REAL300020218169	1	26	-1.0	-37.10	264.86	3.73	-33.37
COC1=NC=C(NC(=O)CCC2=NN=N[N-]2)C=C1Br	REAL300020218170	0	29	-1.0	-40.35	279.37	-0.03	-40.38
COC1=NC=C(NC(=O)CCC2=N[N-]N=N2)C=C1Br	REAL300020218170	1	29	-1.0	-40.37	279.32	-0.05	-40.42
O=C(CCC1=N[N-]N=N1)NC(C1=CC=CC=C1)C1=CC=CC(OC(F)F)=C1	REAL300020218171	0	43	-1.0	-43.30	371.81	6.31	-36.99
O=C(CCC1=NN=N[N-]1)NC(C1=CC=CC=C1)C1=CC=CC(OC(F)F)=C1	REAL300020218171	1	43	-1.0	-43.28	371.87	6.32	-36.96
CCOC1=CC=CC=C1C(NC(=O)CCC1=N[N-]N=N1)C1=CC=C(Cl)C=C1	REAL300020218172	0	46	-1.0	-41.95	399.70	7.66	-34.29
CCOC1=CC=CC=C1C(NC(=O)CCC1=NN=N[N-]1)C1=CC=C(Cl)C=C1	REAL300020218172	1	46	-1.0	-41.98	399.76	7.67	-34.31
CC(C)(C)OC(=O)N1CCC(C(C)(C)NC(=O)CCC2=N[N-]N=N2)CC1	REAL300020218173	0	55	-1.0	-42.90	405.13	4.65	-38.25
CC(C)(C)OC(=O)N1CCC(C(C)(C)NC(=O)CCC2=NN=N[N-]2)CC1	REAL300020218173	1	55	-1.0	-42.94	405.18	4.67	-38.27
CN1C2=CC(Br)=CC=C2N=C1NC(=O)CCC1=NN=N[N-]1	REAL300020218174	0	32	-1.0	-45.35	301.84	6.37	-38.98
CN1C2=CC(Br)=CC=C2N=C1NC(=O)CCC1=N[N-]N=N1	REAL300020218174	1	32	-1.0	-45.29	301.78	6.36	-38.93
CCOC(=O)C1CC(C)N(C(=O)CCC2=N[N-]N=N2)C(C)C1	REAL300020218175	0	44	-1.0	-42.28	336.50	5.24	-37.04
CCOC(=O)C1CC(C)N(C(=O)CCC2=NN=N[N-]2)C(C)C1	REAL300020218175	1	44	-1.0	-42.28	336.56	5.26	-37.02
CC1(C)CCC(C)(C)C2=CC(NC(=O)CCC3=N[N-]N=N3)=CC=C21	REAL300020218176	0	48	-1.0	-39.94	361.30	6.74	-33.20
CC1(C)CCC(C)(C)C2=CC(NC(=O)CCC3=NN=N[N-]3)=CC=C21	REAL300020218176	1	48	-1.0	-39.94	361.36	6.76	-33.18
CC1CN(C(=O)CCC2=N[N-]N=N2)C(C)C[N@H+](CC2=CC=CC=C2)C1	REAL300020218177	0	51	0.0	-62.62	379.36	8.03	-54.59
CC1CN(C(=O)CCC2=N[N-]N=N2)C(C)C[N@@H+](CC2=CC=CC=C2)C1	REAL300020218177	1	51	0.0	-57.75	369.97	8.57	-49.18
CC1CN(C(=O)CCC2=NN=N[N-]2)C(C)C[N@H+](CC2=CC=CC=C2)C1	REAL300020218177	1	51	0.0	-62.65	379.42	8.05	-54.60
CC1CN(C(=O)CCC2=NN=N[N-]2)C(C)C[N@@H+](CC2=CC=CC=C2)C1	REAL300020218177	1	51	0.0	-57.77	370.03	8.59	-49.18
O=C(CCC1=NN=N[N-]1)NC1=CN=CC=C1SC1=CC(C(F)(F)F)=CC=N1	REAL300020218178	0	38	-1.0	-41.27	360.94	4.39	-36.88
O=C(CCC1=N[N-]N=N1)NC1=CN=CC=C1SC1=CC(C(F)(F)F)=CC=N1	REAL300020218178	1	38	-1.0	-41.30	360.88	4.37	-36.93
CC(C)OC1=CC=CC=C1C(NC(=O)CCC1=N[N-]N=N1)C1=CC=C(Cl)C=C1	REAL300020218179	0	49	-1.0	-41.78	417.62	8.25	-33.53
CC(C)OC1=CC=CC=C1C(NC(=O)CCC1=NN=N[N-]1)C1=CC=C(Cl)C=C1	REAL300020218179	1	49	-1.0	-41.81	417.67	8.26	-33.55
O=C(CCC1=N[N-]N=N1)NC(C1=CC=CC=C1)C1=CC=CC(OC(F)(F)F)=C1	REAL300020218180	0	43	-1.0	-40.55	378.55	6.52	-34.03
O=C(CCC1=NN=N[N-]1)NC(C1=CC=CC=C1)C1=CC=CC(OC(F)(F)F)=C1	REAL300020218180	1	43	-1.0	-40.56	378.61	6.54	-34.02
O=C(CCC1=N[N-]N=N1)N1CCC(F)(F)C(C(F)(F)F)C1	REAL300020218181	0	32	-1.0	-38.31	280.30	3.74	-34.57
O=C(CCC1=NN=N[N-]1)N1CCC(F)(F)C(C(F)(F)F)C1	REAL300020218181	1	32	-1.0	-38.34	280.36	3.75	-34.59
O=C(CCC1=N[N-]N=N1)N1CC[N@H+](CC2=CC=CC=C2)C(C2CCC2)C1	REAL300020218182	0	52	0.0	-59.54	391.08	8.49	-51.05
O=C(CCC1=N[N-]N=N1)N1CC[N@@H+](CC2=CC=CC=C2)C(C2CCC2)C1	REAL300020218182	1	52	0.0	-63.40	386.62	8.48	-54.92
O=C(CCC1=NN=N[N-]1)N1CC[N@H+](CC2=CC=CC=C2)C(C2CCC2)C1	REAL300020218182	1	52	0.0	-59.55	391.14	8.51	-51.04
O=C(CCC1=NN=N[N-]1)N1CC[N@@H+](CC2=CC=CC=C2)C(C2CCC2)C1	REAL300020218182	1	52	0.0	-63.39	386.68	8.49	-54.90
CC(C)(C)OC(=O)NCC12CC(NC(=O)CCC3=N[N-]N=N3)(C1)CO2	REAL300020218183	0	48	-1.0	-43.07	386.64	-0.14	-43.21
CC(C)(C)OC(=O)NCC12CC(NC(=O)CCC3=NN=N[N-]3)(C1)CO2	REAL300020218183	1	48	-1.0	-43.08	386.70	-0.13	-43.21
C=CCC1(NC(=O)CCC2=N[N-]N=N2)CCCN(C(=O)OC(C)(C)C)C1	REAL300020218184	0	53	-1.0	-42.08	405.75	5.34	-36.74
C=CCC1(NC(=O)CCC2=NN=N[N-]2)CCCN(C(=O)OC(C)(C)C)C1	REAL300020218184	1	53	-1.0	-42.08	405.81	5.35	-36.73
CC(C)(C)OC(=O)NCC12CC(NC(=O)CCC3=N[N-]N=N3)(C1)C1(CCC1)O2	REAL300020218185	0	55	-1.0	-40.90	431.33	1.83	-39.07
CC(C)(C)OC(=O)NCC12CC(NC(=O)CCC3=NN=N[N-]3)(C1)C1(CCC1)O2	REAL300020218185	1	55	-1.0	-40.89	431.38	1.85	-39.04
O=C(CCC1=N[N-]N=N1)N[C@@H]1C[C@H]1C1=CC=C(OC(F)(F)F)C=C1	REAL300020218186	0	37	-1.0	-40.54	331.19	3.91	-36.63
O=C(CCC1=NN=N[N-]1)N[C@@H]1C[C@H]1C1=CC=C(OC(F)(F)F)C=C1	REAL300020218186	1	37	-1.0	-40.57	331.25	3.92	-36.65
O=C(CCC1=N[N-]N=N1)NC(CC1CCCC1)CC1CCCC1	REAL300020218187	0	51	-1.0	-39.96	384.64	7.26	-32.70
O=C(CCC1=NN=N[N-]1)NC(CC1CCCC1)CC1CCCC1	REAL300020218187	1	51	-1.0	-40.00	384.70	7.28	-32.72
O=C(CCC1=N[N-]N=N1)NC(C1=CC=CC=C1)C1=CC=CC=C1OC(F)(F)F	REAL300020218188	0	43	-1.0	-42.51	377.61	6.69	-35.82
O=C(CCC1=NN=N[N-]1)NC(C1=CC=CC=C1)C1=CC=CC=C1OC(F)(F)F	REAL300020218188	1	43	-1.0	-42.54	377.66	6.71	-35.83
CC(C)OC1=CC=CC=C1C(NC(=O)CCC1=N[N-]N=N1)C1=CC=CC(Cl)=C1	REAL300020218189	0	49	-1.0	-42.93	417.64	8.27	-34.66
CC(C)OC1=CC=CC=C1C(NC(=O)CCC1=NN=N[N-]1)C1=CC=CC(Cl)=C1	REAL300020218189	1	49	-1.0	-42.93	417.70	8.29	-34.64
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CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)NNC(=O)CCC2=N[N-]N=N2)C1	REAL300020218221	0	47	-1.0	-43.62	387.60	0.25	-43.37
CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)NNC(=O)CCC2=NN=N[N-]2)C1	REAL300020218221	1	47	-1.0	-43.63	387.66	0.27	-43.36
CC(C)(C)OC(=O)N1CCC2CC(NC(=O)CCC3=N[N-]N=N3)CCC2C1	REAL300020218222	0	56	-1.0	-43.26	420.02	5.76	-37.50
CC(C)(C)OC(=O)N1CCC2CC(NC(=O)CCC3=NN=N[N-]3)CCC2C1	REAL300020218222	1	56	-1.0	-43.27	420.08	5.77	-37.50
CC(CO)(COC1=CC=CC=C1)NC(=O)CCC1=N[N-]N=N1	REAL300020218223	0	40	-1.0	-40.59	329.51	0.48	-40.11
CC(CO)(COC1=CC=CC=C1)NC(=O)CCC1=NN=N[N-]1	REAL300020218223	1	40	-1.0	-40.63	329.57	0.49	-40.14
CC(C)(C)OC(=O)C1(C(F)(F)F)CCN(C(=O)CCC2=N[N-]N=N2)C1	REAL300020218224	0	44	-1.0	-41.52	364.16	5.49	-36.03
CC(C)(C)OC(=O)C1(C(F)(F)F)CCN(C(=O)CCC2=NN=N[N-]2)C1	REAL300020218224	1	44	-1.0	-41.51	364.22	5.50	-36.01
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CC(NC(=O)OC(C)(C)C)C(NC(=O)CCC1=N[N-]N=N1)C1CCCCC1	REAL300020218226	0	58	-1.0	-41.43	420.45	5.00	-36.43
CC(NC(=O)OC(C)(C)C)C(NC(=O)CCC1=NN=N[N-]1)C1CCCCC1	REAL300020218226	1	58	-1.0	-41.45	420.51	5.01	-36.44
CC1CN(C(=O)CCC2=N[N-]N=N2)CCN1S(C)(=O)=O	REAL300020218227	0	37	-1.0	-44.96	308.27	0.15	-44.81
CC1CN(C(=O)CCC2=NN=N[N-]2)CCN1S(C)(=O)=O	REAL300020218227	1	37	-1.0	-44.98	308.33	0.16	-44.82
CN(CC1=NC=C(Cl)C=C1Cl)C(=O)CCC1=N[N-]N=N1	REAL300020218228	0	31	-1.0	-38.27	293.37	3.88	-34.39
CN(CC1=NC=C(Cl)C=C1Cl)C(=O)CCC1=NN=N[N-]1	REAL300020218228	1	31	-1.0	-38.28	293.42	3.90	-34.38
CCOC(=O)C1C2=CC=C(F)C(F)=C2CCN1C(=O)CCC1=N[N-]N=N1	REAL300020218229	0	42	-1.0	-42.01	358.53	7.00	-35.01
CCOC(=O)C1C2=CC=C(F)C(F)=C2CCN1C(=O)CCC1=NN=N[N-]1	REAL300020218229	1	42	-1.0	-42.04	358.59	7.01	-35.03
CC(C)(C)OC(=O)NC(CCNC(=O)CCC1=N[N-]N=N1)C(F)(F)F	REAL300020218230	0	45	-1.0	-43.67	380.51	1.61	-42.06
CC(C)(C)OC(=O)NC(CCNC(=O)CCC1=NN=N[N-]1)C(F)(F)F	REAL300020218230	1	45	-1.0	-43.69	380.57	1.63	-42.06
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CC(C)CC(CNC(=O)CCC1=N[N-]N=N1)CC1=CC=CC=C1	REAL300020218235	0	47	-1.0	-38.90	366.27	7.56	-31.34
CC(C)CC(CNC(=O)CCC1=NN=N[N-]1)CC1=CC=CC=C1	REAL300020218235	1	47	-1.0	-38.89	366.33	7.58	-31.31
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CC(C)(C)OC(=O)C1(C)CN(C(=O)CCC2=N[N-]N=N2)CCO1	REAL300020218239	0	45	-1.0	-40.91	352.39	4.42	-36.49
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CC(CNC(=O)CCC1=NN=N[N-]1)SCC1=CC=CC=C1	REAL300020218242	1	39	-1.0	-40.94	340.83	5.55	-35.39
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O=C(CCC1=N[N-]N=N1)N1CCC(C(=O)N2CCC(F)(F)CC2)CC1	REAL300020218246	0	46	-1.0	-47.34	363.80	4.96	-42.38
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CC1CCC(C2CCCCC2)CN1C(=O)CCC1=N[N-]N=N1	REAL300020218247	0	48	-1.0	-38.90	347.69	7.02	-31.88
CC1CCC(C2CCCCC2)CN1C(=O)CCC1=NN=N[N-]1	REAL300020218247	1	48	-1.0	-38.90	347.75	7.03	-31.87
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CC(C)(C)OC(=O)N1CC(CNC(=O)CCC2=N[N-]N=N2)(C(C)(C)O)C1	REAL300020218249	0	53	-1.0	-44.69	407.96	2.13	-42.56
CC(C)(C)OC(=O)N1CC(CNC(=O)CCC2=NN=N[N-]2)(C(C)(C)O)C1	REAL300020218249	1	53	-1.0	-44.68	408.02	2.14	-42.54
COC(=O)CCC1(CNC(=O)CCC2=N[N-]N=N2)CC1(F)F	REAL300020218250	0	38	-1.0	-42.62	333.84	3.25	-39.37
COC(=O)CCC1(CNC(=O)CCC2=NN=N[N-]2)CC1(F)F	REAL300020218250	1	38	-1.0	-42.65	333.89	3.26	-39.39
CC12CC(NC(=O)CCC3=N[N-]N=N3)(C1)C1(CCOCC1)O2	REAL300020218251	0	42	-1.0	-38.24	325.73	0.65	-37.59
CC12CC(NC(=O)CCC3=NN=N[N-]3)(C1)C1(CCOCC1)O2	REAL300020218251	1	42	-1.0	-38.24	325.79	0.67	-37.57
O=C(CCC1=N[N-]N=N1)NC(C1=CC=C(Cl)C=C1)C1=CC=C(C2CC2)C=C1	REAL300020218252	0	46	-1.0	-39.81	398.48	9.35	-30.46
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O=C(CCC1=N[N-]N=N1)NCCC1=CC=C2CCOCC2=C1	REAL300020218254	0	40	-1.0	-42.00	332.80	3.55	-38.45
O=C(CCC1=NN=N[N-]1)NCCC1=CC=C2CCOCC2=C1	REAL300020218254	1	40	-1.0	-42.04	332.85	3.57	-38.47
COC(=O)C1(CCCNC(=O)CCC2=N[N-]N=N2)CC1(F)F	REAL300020218255	0	38	-1.0	-43.36	338.68	3.46	-39.90
COC(=O)C1(CCCNC(=O)CCC2=NN=N[N-]2)CC1(F)F	REAL300020218255	1	38	-1.0	-43.38	338.74	3.47	-39.91
O=C(CCC1=N[N-]N=N1)N1CCC2(CC1)OC(=O)NC1=CC=CC=C12	REAL300020218256	0	42	-1.0	-44.48	338.56	3.50	-40.98
O=C(CCC1=NN=N[N-]1)N1CCC2(CC1)OC(=O)NC1=CC=CC=C12	REAL300020218256	1	42	-1.0	-44.51	338.62	3.52	-40.99
O=C(CCC1=N[N-]N=N1)N1CCC(N2C(=O)CCCC2=O)CC1	REAL300020218257	0	42	-1.0	-47.43	329.47	3.66	-43.77
O=C(CCC1=NN=N[N-]1)N1CCC(N2C(=O)CCCC2=O)CC1	REAL300020218257	1	42	-1.0	-47.48	329.53	3.68	-43.80
O=C(CCC1=N[N-]N=N1)N1CC2CS(=O)(=O)CC2(C2=CC=CC=C2)C1	REAL300020218258	0	43	-1.0	-52.65	348.23	3.74	-48.91
O=C(CCC1=NN=N[N-]1)N1CC2CS(=O)(=O)CC2(C2=CC=CC=C2)C1	REAL300020218258	1	43	-1.0	-52.61	348.29	3.75	-48.86
N#CC1=CC=C(C(NC(=O)CCC2=N[N-]N=N2)C2=CC=CC(Cl)=C2)C=C1	REAL300020218259	0	40	-1.0	-42.70	370.04	7.64	-35.06
N#CC1=CC=C(C(NC(=O)CCC2=NN=N[N-]2)C2=CC=CC(Cl)=C2)C=C1	REAL300020218259	1	40	-1.0	-42.68	370.10	7.65	-35.03
O=C(CCC1=NN=N[N-]1)NCC1=CC(C2=CC=C(Cl)C=C2)=NO1	REAL300020218260	0	35	-1.0	-40.72	329.33	4.38	-36.34
O=C(CCC1=N[N-]N=N1)NCC1=CC(C2=CC=C(Cl)C=C2)=NO1	REAL300020218260	1	35	-1.0	-40.70	329.27	4.37	-36.33
O=C(CCC1=N[N-]N=N1)NCC1=NN=NN1C1=CC=C(F)C=C1	REAL300020218261	0	34	-1.0	-39.88	308.05	2.60	-37.28
O=C(CCC1=NN=N[N-]1)NCC1=NN=NN1C1=CC=C(F)C=C1	REAL300020218261	1	34	-1.0	-39.92	308.11	2.61	-37.31
COC(=O)C1CCCC1C1CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300020218262	0	48	-1.0	-45.00	367.99	6.39	-38.61
COC(=O)C1CCCC1C1CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020218262	1	48	-1.0	-44.97	368.05	6.41	-38.56
CC1(C)NC(=O)C2(CCN(C(=O)CCC3=N[N-]N=N3)CC2)O1	REAL300020218263	0	41	-1.0	-43.35	322.80	-0.56	-43.91
CC1(C)NC(=O)C2(CCN(C(=O)CCC3=NN=N[N-]3)CC2)O1	REAL300020218263	1	41	-1.0	-43.34	322.86	-0.55	-43.89
O=C(CN1CCN(C(=O)CCC2=NN=N[N-]2)CC1)NC1=CC=CC=N1	REAL300020218264	0	44	-1.0	-50.10	359.03	2.34	-47.76
O=C(CN1CCN(C(=O)CCC2=N[N-]N=N2)CC1)NC1=CC=CC=N1	REAL300020218264	1	44	-1.0	-50.12	358.97	2.33	-47.79
O=C(CCC1=N[N-]N=N1)NC(C1=CC=C(Cl)C=C1)C1=CC=CC(F)=C1F	REAL300020218265	0	39	-1.0	-41.62	361.13	7.61	-34.01
O=C(CCC1=NN=N[N-]1)NC(C1=CC=C(Cl)C=C1)C1=CC=CC(F)=C1F	REAL300020218265	1	39	-1.0	-41.64	361.19	7.62	-34.02
O=C(CCC1=N[N-]N=N1)NC(C1=CC=CC=C1)C1=CC=CC(Cl)=C1Cl	REAL300020218266	0	39	-1.0	-42.36	358.26	7.54	-34.82
O=C(CCC1=NN=N[N-]1)NC(C1=CC=CC=C1)C1=CC=CC(Cl)=C1Cl	REAL300020218266	1	39	-1.0	-42.35	358.33	7.56	-34.79
O=C(CCC1=N[N-]N=N1)NCC1=CC(C(F)(F)F)=CC=N1	REAL300020218267	0	31	-1.0	-40.38	291.85	1.86	-38.52
O=C(CCC1=NN=N[N-]1)NCC1=CC(C(F)(F)F)=CC=N1	REAL300020218267	1	31	-1.0	-40.35	291.91	1.87	-38.48
CC1=C(CNC(=O)CCC2=N[N-]N=N2)C(C(F)(F)F)=CO1	REAL300020218268	0	32	-1.0	-41.25	298.28	2.44	-38.81
CC1=C(CNC(=O)CCC2=NN=N[N-]2)C(C(F)(F)F)=CO1	REAL300020218268	1	32	-1.0	-41.26	298.34	2.45	-38.81
CCCCNC1=CC=C(S(N)(=O)=O)C=C1NC(=O)CCC1=N[N-]N=N1	REAL300020218269	0	45	-1.0	-47.19	382.60	-1.03	-48.22
CCCCNC1=CC=C(S(N)(=O)=O)C=C1NC(=O)CCC1=NN=N[N-]1	REAL300020218269	1	45	-1.0	-47.23	382.66	-1.01	-48.24
COCCNC1=CC=C(S(N)(=O)=O)C=C1NC(=O)CCC1=N[N-]N=N1	REAL300020218270	0	43	-1.0	-49.02	373.21	-3.48	-52.50
COCCNC1=CC=C(S(N)(=O)=O)C=C1NC(=O)CCC1=NN=N[N-]1	REAL300020218270	1	43	-1.0	-49.09	373.26	-3.47	-52.56
O=C(CCC1=N[N-]N=N1)N1CCP(=O)(C2=CC=CC=C2)CC1	REAL300020218271	0	39	-1.0	-43.49	330.05	4.36	-39.13
O=C(CCC1=NN=N[N-]1)N1CCP(=O)(C2=CC=CC=C2)CC1	REAL300020218271	1	39	-1.0	-43.51	330.11	4.37	-39.14
O=C(CCC1=N[N-]N=N1)N1CCCC(NS(=O)(=O)C2=CC=CC=C2)C1	REAL300020218272	0	44	-1.0	-45.07	367.43	1.96	-43.11
O=C(CCC1=NN=N[N-]1)N1CCCC(NS(=O)(=O)C2=CC=CC=C2)C1	REAL300020218272	1	44	-1.0	-45.06	367.48	1.98	-43.08
COC(=O)CC1CCC2CN(C(=O)CCC3=N[N-]N=N3)CCC2C1	REAL300020218273	0	48	-1.0	-42.85	369.36	6.41	-36.44
COC(=O)CC1CCC2CN(C(=O)CCC3=NN=N[N-]3)CCC2C1	REAL300020218273	1	48	-1.0	-42.83	369.42	6.43	-36.40
COC(=O)C1(C2=CCN(C(=O)CCC3=N[N-]N=N3)CC2)CCC1	REAL300020218274	0	43	-1.0	-42.87	345.85	5.78	-37.09
COC(=O)C1(C2=CCN(C(=O)CCC3=NN=N[N-]3)CC2)CCC1	REAL300020218274	1	43	-1.0	-42.88	345.91	5.80	-37.08
O=C(CCC1=N[N-]N=N1)N1CCN2C(=NN=C2C2=CC=CS2)C1	REAL300020218275	0	36	-1.0	-45.12	316.87	5.16	-39.96
O=C(CCC1=NN=N[N-]1)N1CCN2C(=NN=C2C2=CC=CS2)C1	REAL300020218275	1	36	-1.0	-45.16	316.93	5.18	-39.98
O=C(CCC1=N[N-]N=N1)NC(C1=CC=CC=C1)C1=CC=C(F)C(Cl)=C1	REAL300020218276	0	39	-1.0	-40.65	355.12	7.30	-33.35
O=C(CCC1=NN=N[N-]1)NC(C1=CC=CC=C1)C1=CC=C(F)C(Cl)=C1	REAL300020218276	1	39	-1.0	-40.64	355.18	7.31	-33.33
CC(C)(C)OC(=O)NCC1(O)CN(C(=O)CCC2=N[N-]N=N2)C1	REAL300020218277	0	44	-1.0	-45.90	361.61	-1.36	-47.26
CC(C)(C)OC(=O)NCC1(O)CN(C(=O)CCC2=NN=N[N-]2)C1	REAL300020218277	1	44	-1.0	-45.91	361.67	-1.35	-47.26
COC1=CC(C2CN(C(=O)CCC3=N[N-]N=N3)C2)=CC=C1F	REAL300020218278	0	37	-1.0	-43.21	318.02	4.11	-39.10
COC1=CC(C2CN(C(=O)CCC3=NN=N[N-]3)C2)=CC=C1F	REAL300020218278	1	37	-1.0	-43.21	318.08	4.13	-39.08
COC(=O)C1(C2CCN(C(=O)CCC3=N[N-]N=N3)CC2)CCC1	REAL300020218279	0	45	-1.0	-45.96	346.50	5.71	-40.25
COC(=O)C1(C2CCN(C(=O)CCC3=NN=N[N-]3)CC2)CCC1	REAL300020218279	1	45	-1.0	-45.93	346.56	5.72	-40.21
O=C(CCC1=NN=N[N-]1)NCC1=CC(C2=CC=CC=C2)=NS1	REAL300020218280	0	35	-1.0	-40.69	320.15	4.08	-36.61
O=C(CCC1=N[N-]N=N1)NCC1=CC(C2=CC=CC=C2)=NS1	REAL300020218280	1	35	-1.0	-40.69	320.10	4.07	-36.62
CC(C)(C)OC(=O)N1CCOC2(CN(C(=O)CCC3=N[N-]N=N3)C2)C1	REAL300020218281	0	48	-1.0	-44.56	380.96	2.69	-41.87
CC(C)(C)OC(=O)N1CCOC2(CN(C(=O)CCC3=NN=N[N-]3)C2)C1	REAL300020218281	1	48	-1.0	-44.56	381.02	2.70	-41.86
CC(C)(C)OC(=O)NC1CCCC12CN(C(=O)CCC1=N[N-]N=N1)C2	REAL300020218282	0	50	-1.0	-42.49	394.59	3.86	-38.63
CC(C)(C)OC(=O)NC1CCCC12CN(C(=O)CCC1=NN=N[N-]1)C2	REAL300020218282	1	50	-1.0	-42.50	394.64	3.88	-38.62
CC(C)(C)OC(=O)N1CCC(C2CN(C(=O)CCC3=N[N-]N=N3)C2)CC1	REAL300020218283	0	53	-1.0	-45.40	411.60	5.76	-39.64
CC(C)(C)OC(=O)N1CCC(C2CN(C(=O)CCC3=NN=N[N-]3)C2)CC1	REAL300020218283	1	53	-1.0	-45.41	411.66	5.78	-39.63
CC(C)(C)OC(=O)N1CC[C@H]2[C@H](CN2C(=O)CCC2=N[N-]N=N2)C1	REAL300020218284	0	47	-1.0	-43.69	364.19	4.59	-39.10
CC(C)(C)OC(=O)N1CC[C@H]2[C@H](CN2C(=O)CCC2=NN=N[N-]2)C1	REAL300020218284	1	47	-1.0	-43.65	364.24	4.60	-39.05
O=C(CCC1=N[N-]N=N1)N1CCC(C(F)(F)F)C(F)(F)C1	REAL300020218285	0	32	-1.0	-42.51	280.70	3.78	-38.73
O=C(CCC1=NN=N[N-]1)N1CCC(C(F)(F)F)C(F)(F)C1	REAL300020218285	1	32	-1.0	-42.51	280.76	3.79	-38.72
COC(=O)C(C)(C)C1=CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300020218286	0	42	-1.0	-41.51	334.99	5.03	-36.48
COC(=O)C(C)(C)C1=CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020218286	1	42	-1.0	-41.47	335.05	5.05	-36.42
O=C(CCC1=N[N-]N=N1)NC(C1=CC=CC=C1)C1=CC=CC(Cl)=C1F	REAL300020218287	0	39	-1.0	-43.35	354.41	7.37	-35.98
O=C(CCC1=NN=N[N-]1)NC(C1=CC=CC=C1)C1=CC=CC(Cl)=C1F	REAL300020218287	1	39	-1.0	-43.37	354.47	7.38	-35.99
O=C(CCC1=N[N-]N=N1)NC(C1=CC=CC=C1)C1=CC=C(Cl)C(F)=C1	REAL300020218288	0	39	-1.0	-40.65	355.12	7.31	-33.34
O=C(CCC1=NN=N[N-]1)NC(C1=CC=CC=C1)C1=CC=C(Cl)C(F)=C1	REAL300020218288	1	39	-1.0	-40.66	355.18	7.32	-33.34
O=C(CCC1=N[N-]N=N1)NCCCCCC1=CC=C(Br)C=C1	REAL300020218289	0	41	-1.0	-40.04	364.87	6.43	-33.61
O=C(CCC1=NN=N[N-]1)NCCCCCC1=CC=C(Br)C=C1	REAL300020218289	1	41	-1.0	-40.08	364.93	6.45	-33.63
CC(C)(C)OC(=O)NC1(C2CN(C(=O)CCC3=N[N-]N=N3)C2)CC1	REAL300020218290	0	47	-1.0	-42.20	373.13	3.06	-39.14
CC(C)(C)OC(=O)NC1(C2CN(C(=O)CCC3=NN=N[N-]3)C2)CC1	REAL300020218290	1	47	-1.0	-42.22	373.19	3.07	-39.15
O=C(CCC1=N[N-]N=N1)NCCN1C=CC2=C(Br)C=CC=C21	REAL300020218291	0	36	-1.0	-43.31	333.09	5.32	-37.99
O=C(CCC1=NN=N[N-]1)NCCN1C=CC2=C(Br)C=CC=C21	REAL300020218291	1	36	-1.0	-43.30	333.15	5.33	-37.97
O=C(CCC1=N[N-]N=N1)N1CCC2=C(C=CC(Br)=C2F)C1	REAL300020218292	0	33	-1.0	-39.66	299.80	5.62	-34.04
O=C(CCC1=NN=N[N-]1)N1CCC2=C(C=CC(Br)=C2F)C1	REAL300020218292	1	33	-1.0	-39.64	299.86	5.63	-34.01
O=C(CCC1=N[N-]N=N1)N1CCCC2(C1)OCC1=CC=CC=C12	REAL300020218293	0	41	-1.0	-43.60	328.58	5.08	-38.52
O=C(CCC1=NN=N[N-]1)N1CCCC2(C1)OCC1=CC=CC=C12	REAL300020218293	1	41	-1.0	-43.55	328.64	5.10	-38.45
CC(C)(C)OC(=O)C1(C2(O)CCN(C(=O)CCC3=N[N-]N=N3)CC2)CC1	REAL300020218294	0	52	-1.0	-42.44	391.84	5.03	-37.41
CC(C)(C)OC(=O)C1(C2(O)CCN(C(=O)CCC3=NN=N[N-]3)CC2)CC1	REAL300020218294	1	52	-1.0	-42.46	391.89	5.05	-37.41
CCCC1(NC(=O)OC(C)(C)C)CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300020218295	0	55	-1.0	-41.14	408.29	5.30	-35.84
CCCC1(NC(=O)OC(C)(C)C)CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020218295	1	55	-1.0	-41.10	408.35	5.31	-35.79
CC1=CC=C(NNC(=O)CCC2=N[N-]N=N2)C=C1Br	REAL300020218296	0	31	-1.0	-38.62	287.88	3.39	-35.23
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C#CC(CC1=CC=C(F)C=C1F)N(C)C(=O)CCC1=N[N-]N=N1	REAL300020218300	0	37	-1.0	-42.29	328.76	6.79	-35.50
C#CC(CC1=CC=C(F)C=C1F)N(C)C(=O)CCC1=NN=N[N-]1	REAL300020218300	1	37	-1.0	-42.28	328.81	6.80	-35.48
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CC(C)(C)OC(=O)NC1(C(N)=O)CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300020218310	0	50	-1.0	-48.03	387.26	-0.10	-48.13
CC(C)(C)OC(=O)NC1(C(N)=O)CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020218310	1	50	-1.0	-48.02	387.32	-0.09	-48.11
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CN(C)S(=O)(=O)CC1(O)CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300020218318	0	44	-1.0	-45.78	352.81	-1.04	-46.82
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COC1=CC=C(C(CNC(=O)CCC2=N[N-]N=N2)C(F)F)C=C1	REAL300020218321	0	39	-1.0	-42.79	333.04	3.47	-39.32
COC1=CC=C(C(CNC(=O)CCC2=NN=N[N-]2)C(F)F)C=C1	REAL300020218321	1	39	-1.0	-42.80	333.10	3.49	-39.31
COC1=CC(C2CCCN(C(=O)CCC3=N[N-]N=N3)C2)=CC=C1F	REAL300020218322	0	43	-1.0	-42.54	348.22	5.61	-36.93
COC1=CC(C2CCCN(C(=O)CCC3=NN=N[N-]3)C2)=CC=C1F	REAL300020218322	1	43	-1.0	-42.52	348.28	5.62	-36.90
CC(C)(O)CCC1=CC=C2CN(C(=O)CCC3=N[N-]N=N3)CCC2=C1	REAL300020218323	0	49	-1.0	-40.41	386.73	5.20	-35.21
CC(C)(O)CCC1=CC=C2CN(C(=O)CCC3=NN=N[N-]3)CCC2=C1	REAL300020218323	1	49	-1.0	-40.40	386.78	5.22	-35.18
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COC(=O)C(C)(NC(=O)CCC1=N[N-]N=N1)C1=CC=C(C(F)(F)F)C=C1	REAL300020218325	0	41	-1.0	-41.86	358.87	5.13	-36.73
COC(=O)C(C)(NC(=O)CCC1=NN=N[N-]1)C1=CC=C(C(F)(F)F)C=C1	REAL300020218325	1	41	-1.0	-41.87	358.92	5.14	-36.73
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COC1=CC(NC(=O)CCC2=NN=N[N-]2)=CN=C1Br	REAL300020218327	0	29	-1.0	-39.16	276.99	0.70	-38.46
COC1=CC(NC(=O)CCC2=N[N-]N=N2)=CN=C1Br	REAL300020218327	1	29	-1.0	-39.18	276.93	0.69	-38.49
COC(=O)C1=CC=CC(C(C)(CO)NC(=O)CCC2=N[N-]N=N2)=C1	REAL300020218328	0	42	-1.0	-45.85	349.27	1.40	-44.45
COC(=O)C1=CC=CC(C(C)(CO)NC(=O)CCC2=NN=N[N-]2)=C1	REAL300020218328	1	42	-1.0	-45.84	349.33	1.41	-44.43
COC1=CC=C(C2CCN(C(=O)CCC3=N[N-]N=N3)C2(C)C)C=C1F	REAL300020218329	0	46	-1.0	-42.90	361.06	5.89	-37.01
COC1=CC=C(C2CCN(C(=O)CCC3=NN=N[N-]3)C2(C)C)C=C1F	REAL300020218329	1	46	-1.0	-42.87	361.12	5.91	-36.96
CN1CCCC(N2CC(NC(=O)CCC3=N[N-]N=N3)C2)C1=O	REAL300020218330	0	42	-1.0	-42.45	330.13	-1.17	-43.62
CN1CCCC(N2CC(NC(=O)CCC3=NN=N[N-]3)C2)C1=O	REAL300020218330	1	42	-1.0	-42.41	330.19	-1.15	-43.56
O=C(CCC1=N[N-]N=N1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020218331	0	31	-2.0	-80.22	283.75	-0.87	-81.09
O=C(CCC1=NN=N[N-]1)NC1=CC=CC(N2N=N[N-]C2=O)=C1	REAL300020218331	1	31	-2.0	-80.24	283.80	-0.86	-81.10
CS(=O)(=O)NC1=CC(NC(=O)CCC2=N[N-]N=N2)=CC=C1Cl	REAL300020218332	0	34	-1.0	-42.66	319.52	-0.14	-42.80
CS(=O)(=O)NC1=CC(NC(=O)CCC2=NN=N[N-]2)=CC=C1Cl	REAL300020218332	1	34	-1.0	-42.68	319.58	-0.13	-42.81
CCOC(=O)[C@@H]1CCC=CCC[C@@H]1NC(=O)CCC1=N[N-]N=N1	REAL300020218333	0	45	-1.0	-42.73	344.42	5.83	-36.90
CCOC(=O)[C@@H]1CCC=CCC[C@@H]1NC(=O)CCC1=NN=N[N-]1	REAL300020218333	1	45	-1.0	-42.73	344.48	5.84	-36.89
CCN1CCCC(N2CC(NC(=O)CCC3=N[N-]N=N3)C2)C1=O	REAL300020218334	0	45	-1.0	-44.60	356.87	-0.20	-44.80
CCN1CCCC(N2CC(NC(=O)CCC3=NN=N[N-]3)C2)C1=O	REAL300020218334	1	45	-1.0	-44.57	356.92	-0.19	-44.76
O=C(CCC1=N[N-]N=N1)NC(C1=CC=CC([N+](=O)[O-])=C1)C(F)(F)F	REAL300020218335	0	34	-1.0	-43.24	317.85	4.51	-38.73
O=C(CCC1=NN=N[N-]1)NC(C1=CC=CC([N+](=O)[O-])=C1)C(F)(F)F	REAL300020218335	1	34	-1.0	-43.26	317.91	4.54	-38.72
COCC[NH+](CCOC)CC(CC1=CC=CC=C1)NC(=O)CCC1=N[N-]N=N1	REAL300020218336	0	58	0.0	-61.23	445.93	5.84	-55.39
COCC[NH+](CCOC)CC(CC1=CC=CC=C1)NC(=O)CCC1=NN=N[N-]1	REAL300020218336	1	58	0.0	-61.23	445.99	5.85	-55.38
O=C(CCC1=N[N-]N=N1)N1CCC[NH2+]C(C2=CC=CC=C2)C1	REAL300020218337	0	42	0.0	-64.17	326.28	5.53	-58.64
O=C(CCC1=NN=N[N-]1)N1CCC[NH2+]C(C2=CC=CC=C2)C1	REAL300020218337	1	42	0.0	-64.15	326.33	5.55	-58.60
O=C(CCC1=N[N-]N=N1)N1CCCNC(C2=CC=CC=C2)C1	REAL300020218337	1	41	-1.0	-41.72	323.89	4.31	-37.41
O=C(CCC1=NN=N[N-]1)N1CCCNC(C2=CC=CC=C2)C1	REAL300020218337	1	41	-1.0	-41.73	323.94	4.32	-37.41
CCOC(=O)C1=NN(C)C2=C1CN(C(=O)CCC1=N[N-]N=N1)CC2	REAL300020218338	0	42	-1.0	-48.23	351.61	4.15	-44.08
CCOC(=O)C1=NN(C)C2=C1CN(C(=O)CCC1=NN=N[N-]1)CC2	REAL300020218338	1	42	-1.0	-48.22	351.67	4.17	-44.05
COC(=O)C1CC(F)(F)CCN1C(=O)CCC1=N[N-]N=N1	REAL300020218339	0	35	-1.0	-42.80	296.05	4.48	-38.32
COC(=O)C1CC(F)(F)CCN1C(=O)CCC1=NN=N[N-]1	REAL300020218339	1	35	-1.0	-42.82	296.11	4.50	-38.32
O=C(CCC1=N[N-]N=N1)NCCC1=CNC2=CC(F)=CC(F)=C12	REAL300020218340	0	36	-1.0	-45.02	323.11	3.63	-41.39
O=C(CCC1=NN=N[N-]1)NCCC1=CNC2=CC(F)=CC(F)=C12	REAL300020218340	1	36	-1.0	-45.02	323.17	3.64	-41.38
NC(=O)C1=CC=C(NC2CC2)C(NC(=O)CCC2=N[N-]N=N2)=C1	REAL300020218341	0	39	-1.0	-51.77	329.15	0.15	-51.62
NC(=O)C1=CC=C(NC2CC2)C(NC(=O)CCC2=NN=N[N-]2)=C1	REAL300020218341	1	39	-1.0	-51.77	329.21	0.16	-51.61
CCOC(=O)C1N(C(=O)CCC2=N[N-]N=N2)CCC1(F)F	REAL300020218342	0	35	-1.0	-45.04	306.89	4.57	-40.47
CCOC(=O)C1N(C(=O)CCC2=NN=N[N-]2)CCC1(F)F	REAL300020218342	1	35	-1.0	-45.01	306.95	4.58	-40.43
O=C(CCC1=N[N-]N=N1)NC(CC1=CC=CC=C1)C1=CC=CO1	REAL300020218343	0	39	-1.0	-41.82	337.91	5.58	-36.24
O=C(CCC1=NN=N[N-]1)NC(CC1=CC=CC=C1)C1=CC=CO1	REAL300020218343	1	39	-1.0	-41.84	337.97	5.59	-36.25
O=C(CCC1=N[N-]N=N1)NCC1=CC=C(Br)C=C1Br	REAL300020218344	0	29	-1.0	-38.69	297.35	3.81	-34.88
O=C(CCC1=NN=N[N-]1)NCC1=CC=C(Br)C=C1Br	REAL300020218344	1	29	-1.0	-38.68	297.40	3.82	-34.86
O=C(CCC1=NN=N[N-]1)N1CCC2=CC=CC=C2C1C1=CC=CN=C1	REAL300020218345	0	42	-1.0	-42.55	342.12	6.66	-35.89
O=C(CCC1=N[N-]N=N1)N1CCC2=CC=CC=C2C1C1=CC=CN=C1	REAL300020218345	1	42	-1.0	-42.53	342.06	6.65	-35.88
CN1N=CC=C1C(NC(=O)CCC1=N[N-]N=N1)C1=CC=CN=C1	REAL300020218346	0	38	-1.0	-44.53	329.63	2.39	-42.14
CN1N=CC=C1C(NC(=O)CCC1=NN=N[N-]1)C1=CC=CN=C1	REAL300020218346	1	38	-1.0	-44.57	329.69	2.40	-42.17
CC(C)(NC(=O)CCC1=NN=N[N-]1)C1=NC=CC(C(F)(F)F)=N1	REAL300020218347	0	36	-1.0	-40.87	318.06	2.50	-38.37
CC(C)(NC(=O)CCC1=N[N-]N=N1)C1=NC=CC(C(F)(F)F)=N1	REAL300020218347	1	36	-1.0	-40.89	318.00	2.48	-38.41
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CC(C)C1CC2=CC(F)=CC=C2N(C(=O)CCC2=NN=N[N-]2)C1	REAL300020218348	1	42	-1.0	-38.61	331.27	7.06	-31.55
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CCOC(=O)C1=NN(C2=CC=C(F)C=C2)C(NC(=O)CCC2=NN=N[N-]2)=C1	REAL300020218373	0	42	-1.0	-42.07	372.31	6.42	-35.65
CCOC(=O)C1=NN(C2=CC=C(F)C=C2)C(NC(=O)CCC2=N[N-]N=N2)=C1	REAL300020218373	1	42	-1.0	-42.07	372.25	6.41	-35.66
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CC1=NN(C2CCN(C(=O)CCC3=NN=N[N-]3)CC2)C(=O)N1	REAL300020218374	1	39	-1.0	-46.24	323.66	2.63	-43.61
CC1=NN(C2CCN(C(=O)CCC3=N[N-]N=N3)CC2)C(=O)[N-]1	REAL300020218374	1	38	-2.0	-87.50	320.15	1.46	-86.04
CC1=NN(C2CCN(C(=O)CCC3=NN=N[N-]3)CC2)C(=O)[N-]1	REAL300020218374	1	38	-2.0	-87.52	320.20	1.47	-86.05
C[N@@H+]1CCOCC2(COCCN2C(=O)CCC2=N[N-]N=N2)C1	REAL300020218375	0	44	0.0	-60.70	318.61	3.60	-57.10
C[N@H+]1CCOCC2(COCCN2C(=O)CCC2=N[N-]N=N2)C1	REAL300020218375	1	44	0.0	-47.86	314.02	2.31	-45.55
C[N@@H+]1CCOCC2(COCCN2C(=O)CCC2=NN=N[N-]2)C1	REAL300020218375	1	44	0.0	-60.74	318.66	3.62	-57.12
C[N@H+]1CCOCC2(COCCN2C(=O)CCC2=NN=N[N-]2)C1	REAL300020218375	1	44	0.0	-47.88	314.08	2.33	-45.55
CN1CCOCC2(COCCN2C(=O)CCC2=N[N-]N=N2)C1	REAL300020218375	1	43	-1.0	-40.67	309.53	1.43	-39.24
CN1CCOCC2(COCCN2C(=O)CCC2=NN=N[N-]2)C1	REAL300020218375	1	43	-1.0	-40.67	309.58	1.45	-39.22
COC(=O)C1CC(NC(=O)CCC2=N[N-]N=N2)CS1(=O)=O	REAL300020218376	0	35	-1.0	-48.00	315.53	-1.44	-49.44
COC(=O)C1CC(NC(=O)CCC2=NN=N[N-]2)CS1(=O)=O	REAL300020218376	1	35	-1.0	-48.01	315.59	-1.42	-49.43
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CCC1=CC(I)=CC=C1NC(=O)CCC1=NN=N[N-]1	REAL300020218378	1	32	-1.0	-37.63	297.37	5.31	-32.32
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COC1=CC=C2NC3=C(CCCC3NC(=O)CCC3=N[N-]N=N3)C2=C1	REAL300020218380	0	44	-1.0	-40.84	358.82	3.91	-36.93
COC1=CC=C2NC3=C(CCCC3NC(=O)CCC3=NN=N[N-]3)C2=C1	REAL300020218380	1	44	-1.0	-40.81	358.88	3.93	-36.88
O=C(CCC1=N[N-]N=N1)NC1CS(=O)(=O)C12CCCCC2	REAL300020218381	0	39	-1.0	-44.17	310.60	0.73	-43.44
O=C(CCC1=NN=N[N-]1)NC1CS(=O)(=O)C12CCCCC2	REAL300020218381	1	39	-1.0	-44.19	310.66	0.74	-43.45
O=C(CCC1=N[N-]N=N1)NC1=CC2=C(C=C1Cl)OCCC2	REAL300020218382	0	34	-1.0	-38.82	300.21	3.84	-34.98
O=C(CCC1=NN=N[N-]1)NC1=CC2=C(C=C1Cl)OCCC2	REAL300020218382	1	34	-1.0	-38.82	300.27	3.85	-34.97
O=C(CCC1=N[N-]N=N1)NC1=CC=C(F)C=C1OCC1CCCCC1	REAL300020218383	0	46	-1.0	-38.02	371.00	6.39	-31.63
O=C(CCC1=NN=N[N-]1)NC1=CC=C(F)C=C1OCC1CCCCC1	REAL300020218383	1	46	-1.0	-38.04	371.05	6.40	-31.64
COC1=CC=C(C(C)(O)CNC(=O)CCC2=N[N-]N=N2)C=C1	REAL300020218384	0	40	-1.0	-40.53	331.79	0.18	-40.35
COC1=CC=C(C(C)(O)CNC(=O)CCC2=NN=N[N-]2)C=C1	REAL300020218384	1	40	-1.0	-40.50	331.84	0.19	-40.31
CC(C)N(CCC1=CC=C(F)C=C1F)C(=O)CCC1=N[N-]N=N1	REAL300020218385	0	41	-1.0	-46.14	341.92	7.13	-39.01
CC(C)N(CCC1=CC=C(F)C=C1F)C(=O)CCC1=NN=N[N-]1	REAL300020218385	1	41	-1.0	-46.19	341.98	7.14	-39.05
O=C(CCC1=N[N-]N=N1)N1CC[C@@H](O)C[C@H]1C1=CC=CC=C1	REAL300020218386	0	40	-1.0	-41.29	316.70	2.82	-38.47
O=C(CCC1=NN=N[N-]1)N1CC[C@@H](O)C[C@H]1C1=CC=CC=C1	REAL300020218386	1	40	-1.0	-41.31	316.76	2.84	-38.47
COC1=CC2=C(C=C1O)CCN(C(=O)CCC1=N[N-]N=N1)C2C	REAL300020218387	0	41	-1.0	-42.64	333.09	2.82	-39.82
COC1=CC2=C(C=C1O)CCN(C(=O)CCC1=NN=N[N-]1)C2C	REAL300020218387	1	41	-1.0	-42.69	333.14	2.84	-39.85
O=C(CCC1=N[N-]N=N1)N1CCC2=CC(O)=CC=C2C1COCC1=CC=CC=C1	REAL300020218388	0	51	-1.0	-41.55	415.81	6.24	-35.31
O=C(CCC1=NN=N[N-]1)N1CCC2=CC(O)=CC=C2C1COCC1=CC=CC=C1	REAL300020218388	1	51	-1.0	-41.56	415.87	6.26	-35.30
CC(NC(=O)CCC1=NN=N[N-]1)C1(N2C=C(Br)C=N2)CC1	REAL300020218389	0	36	-1.0	-40.77	325.23	3.13	-37.64
CC(NC(=O)CCC1=N[N-]N=N1)C1(N2C=C(Br)C=N2)CC1	REAL300020218389	1	36	-1.0	-40.74	325.18	3.11	-37.63
CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1NC(=O)CCC1=N[N-]N=N1	REAL300020218390	0	46	-1.0	-44.38	364.01	2.94	-41.44
CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1NC(=O)CCC1=NN=N[N-]1	REAL300020218390	1	46	-1.0	-44.39	364.06	2.95	-41.44
COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1NC(=O)CCC1=N[N-]N=N1	REAL300020218391	0	37	-1.0	-42.61	329.10	4.00	-38.61
COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1NC(=O)CCC1=NN=N[N-]1	REAL300020218391	1	37	-1.0	-42.62	329.16	4.02	-38.60
O=C(CCC1=N[N-]N=N1)N[C@@H]1C[C@H]1C1=C(F)C=CC=C1Br	REAL300020218392	0	33	-1.0	-41.66	305.97	4.57	-37.09
O=C(CCC1=NN=N[N-]1)N[C@@H]1C[C@H]1C1=C(F)C=CC=C1Br	REAL300020218392	1	33	-1.0	-41.61	306.03	4.58	-37.03
COC(=O)C1(C2=CC=C(NC(=O)CCC3=N[N-]N=N3)C=C2)CCC1	REAL300020218393	0	42	-1.0	-42.63	346.52	5.64	-36.99
COC(=O)C1(C2=CC=C(NC(=O)CCC3=NN=N[N-]3)C=C2)CCC1	REAL300020218393	1	42	-1.0	-42.68	346.58	5.65	-37.03
CC1=C(Br)C=CC(NC(=O)CCC2=N[N-]N=N2)=C1C	REAL300020218394	0	32	-1.0	-38.83	285.08	4.50	-34.33
CC1=C(Br)C=CC(NC(=O)CCC2=NN=N[N-]2)=C1C	REAL300020218394	1	32	-1.0	-38.85	285.15	4.52	-34.33
O=C(CCC1=N[N-]N=N1)NC12CC3CC(CC(CO)(C3)C1)C2	REAL300020218395	0	44	-1.0	-40.44	322.78	1.28	-39.16
O=C(CCC1=NN=N[N-]1)NC12CC3CC(CC(CO)(C3)C1)C2	REAL300020218395	1	44	-1.0	-40.42	322.84	1.30	-39.12
CN(C(=O)CCC1=N[N-]N=N1)C(C1=CC=CC(Cl)=C1)C1=CC=CC=N1	REAL300020218396	0	41	-1.0	-42.27	356.72	6.76	-35.51
CN(C(=O)CCC1=NN=N[N-]1)C(C1=CC=CC(Cl)=C1)C1=CC=CC=N1	REAL300020218396	1	41	-1.0	-42.26	356.78	6.77	-35.49
O=C(CCC1=N[N-]N=N1)NC1(C(F)(F)F)CC2(CCC2)C1	REAL300020218397	0	36	-1.0	-40.03	304.41	3.82	-36.21
O=C(CCC1=NN=N[N-]1)NC1(C(F)(F)F)CC2(CCC2)C1	REAL300020218397	1	36	-1.0	-40.06	304.46	3.84	-36.22
CC(C)(C)OC(=O)N1CCC(NC(=O)CCC2=N[N-]N=N2)C2=CC=CC=C21	REAL300020218398	0	50	-1.0	-42.80	388.53	5.14	-37.66
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CC(C)OC1=CC=C(NCCNC(=O)CCC2=N[N-]N=N2)C=C1	REAL300020218433	0	44	-1.0	-41.18	362.00	2.46	-38.72
CC(C)OC1=CC=C(NCCNC(=O)CCC2=NN=N[N-]2)C=C1	REAL300020218433	1	44	-1.0	-41.20	362.06	2.47	-38.73
COC(=O)C1=CC2=C(CCCN(C(=O)CCC3=N[N-]N=N3)C2)S1	REAL300020218434	0	39	-1.0	-48.39	338.05	5.62	-42.77
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CN(C(=O)CCC1=NN=N[N-]1)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300020218444	0	41	0.0	-64.17	324.43	2.96	-61.21
CN(C(=O)CCC1=N[N-]N=N1)C1CCN(C2=CC=[NH+]C=C2)C1	REAL300020218444	1	41	0.0	-64.14	324.38	2.95	-61.19
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CC(C)(C)OC(=O)NCC1(O)CCCN(C(=O)CCC2=N[N-]N=N2)C1	REAL300020218447	0	50	-1.0	-43.12	387.72	0.46	-42.66
CC(C)(C)OC(=O)NCC1(O)CCCN(C(=O)CCC2=NN=N[N-]2)C1	REAL300020218447	1	50	-1.0	-43.10	387.78	0.48	-42.62
CCOC(=O)C1=C(Br)N=C(NC(=O)CCC2=N[N-]N=N2)[N-]1	REAL300020218449	0	31	-2.0	-85.08	305.94	3.49	-81.59
CCOC(=O)C1=C(Br)N=C(NC(=O)CCC2=NN=N[N-]2)[N-]1	REAL300020218449	1	31	-2.0	-85.07	306.00	3.51	-81.56
CCOC(=O)C1=C(Br)[N-]C(NC(=O)CCC2=N[N-]N=N2)=N1	REAL300020218449	1	31	-2.0	-85.69	306.82	3.50	-82.19
CCOC(=O)C1=C(Br)[N-]C(NC(=O)CCC2=NN=N[N-]2)=N1	REAL300020218449	1	31	-2.0	-85.73	306.88	3.52	-82.21
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COC(=O)C1=CON=C1C1CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020218455	1	41	-1.0	-45.36	345.02	4.40	-40.96
COC(=O)C1CN2C=CN=C2CN(C(=O)CCC2=N[N-]N=N2)C1	REAL300020218456	0	39	-1.0	-48.83	325.83	4.22	-44.61
COC(=O)C1CN2C=CN=C2CN(C(=O)CCC2=NN=N[N-]2)C1	REAL300020218456	1	39	-1.0	-48.84	325.89	4.23	-44.61
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CN(CC1COCCN1C(=O)OC(C)(C)C)C(=O)CCC1=NN=N[N-]1	REAL300020218492	1	50	-1.0	-44.36	382.49	3.20	-41.16
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CC(C)(C)OC(=O)N1CCC12CN(C(=O)CCC1=N[N-]N=N1)C2	REAL300020218494	0	44	-1.0	-53.62	360.48	3.36	-50.26
CC(C)(C)OC(=O)N1CCC12CN(C(=O)CCC1=NN=N[N-]1)C2	REAL300020218494	1	44	-1.0	-53.60	360.53	3.37	-50.23
COC1(CNC(=O)CCC2=N[N-]N=N2)CN(C(=O)OC(C)(C)C)C1	REAL300020218495	0	47	-1.0	-43.90	381.31	0.75	-43.15
COC1(CNC(=O)CCC2=NN=N[N-]2)CN(C(=O)OC(C)(C)C)C1	REAL300020218495	1	47	-1.0	-43.87	381.37	0.76	-43.11
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CC(C)(C)OC(=O)NCC1(C)CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300020218498	0	52	-1.0	-43.29	391.01	3.82	-39.47
CC(C)(C)OC(=O)NCC1(C)CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020218498	1	52	-1.0	-43.26	391.06	3.83	-39.43
CC(C)(C)OC(=O)N1CCCC(C2CC2NC(=O)CCC2=N[N-]N=N2)C1	REAL300020218499	0	53	-1.0	-47.21	414.33	5.10	-42.11
CC(C)(C)OC(=O)N1CCCC(C2CC2NC(=O)CCC2=NN=N[N-]2)C1	REAL300020218499	1	53	-1.0	-47.20	414.37	5.11	-42.09
CN1C=C(NC(=O)CCC2=NN=N[N-]2)C(C(=O)N2CCC2)=N1	REAL300020218500	0	37	-1.0	-45.92	317.80	1.30	-44.62
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CC(C)(C)OC(=O)N1CC2(C1)OC1(CO)CC2(NC(=O)CCC2=N[N-]N=N2)C1	REAL300020218501	0	53	-1.0	-44.86	423.05	-1.12	-45.98
CC(C)(C)OC(=O)N1CC2(C1)OC1(CO)CC2(NC(=O)CCC2=NN=N[N-]2)C1	REAL300020218501	1	53	-1.0	-44.89	423.11	-1.10	-45.99
COC1=CC=C(C2CCCN(C(=O)CCC3=N[N-]N=N3)C2)C=C1C	REAL300020218502	0	46	-1.0	-41.48	362.07	6.29	-35.19
COC1=CC=C(C2CCCN(C(=O)CCC3=NN=N[N-]3)C2)C=C1C	REAL300020218502	1	46	-1.0	-41.46	362.13	6.30	-35.16
CC(C)(CC1=CNC2=CC=CC=C12)NC(=O)CCC1=N[N-]N=N1	REAL300020218503	0	42	-1.0	-42.69	333.62	4.30	-38.39
CC(C)(CC1=CNC2=CC=CC=C12)NC(=O)CCC1=NN=N[N-]1	REAL300020218503	1	42	-1.0	-42.65	333.67	4.31	-38.34
O=C(CCC1=N[N-]N=N1)N1CCOCCC1C1=CC=CC=C1	REAL300020218504	0	40	-1.0	-42.08	312.91	4.74	-37.34
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COC1=CC=CC(C(NC(=O)CCC2=N[N-]N=N2)C2=CC=CC=C2)=C1	REAL300020218505	0	43	-1.0	-42.46	362.06	6.03	-36.43
COC1=CC=CC(C(NC(=O)CCC2=NN=N[N-]2)C2=CC=CC=C2)=C1	REAL300020218505	1	43	-1.0	-42.47	362.12	6.04	-36.43
CC(NC(=O)CCC1=N[N-]N=N1)C1CCN(C(=O)OC(C)(C)C)C1	REAL300020218506	0	49	-1.0	-45.88	388.46	3.62	-42.26
CC(NC(=O)CCC1=NN=N[N-]1)C1CCN(C(=O)OC(C)(C)C)C1	REAL300020218506	1	49	-1.0	-45.87	388.52	3.63	-42.24
CC(C)(C)OC(=O)NCC1CC2CC1CC2NC(=O)CCC1=N[N-]N=N1	REAL300020218507	0	53	-1.0	-42.77	409.95	3.14	-39.63
CC(C)(C)OC(=O)NCC1CC2CC1CC2NC(=O)CCC1=NN=N[N-]1	REAL300020218507	1	53	-1.0	-42.75	410.01	3.16	-39.59
CN1C2=CC=CC=C2NC[C@H](NC(=O)CCC2=N[N-]N=N2)C1=O	REAL300020218508	0	39	-1.0	-44.00	322.58	1.68	-42.32
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COC1=CC(C2CCCN(C(=O)CCC3=N[N-]N=N3)C2)=CC=C1C	REAL300020218509	0	46	-1.0	-41.47	362.08	6.29	-35.18
COC1=CC(C2CCCN(C(=O)CCC3=NN=N[N-]3)C2)=CC=C1C	REAL300020218509	1	46	-1.0	-41.43	362.14	6.30	-35.13
CC(C)OC1=CC=CC=C1[C@@H](C)NC(=O)CCC1=N[N-]N=N1	REAL300020218510	0	42	-1.0	-41.85	342.15	4.48	-37.37
CC(C)OC1=CC=CC=C1[C@@H](C)NC(=O)CCC1=NN=N[N-]1	REAL300020218510	1	42	-1.0	-41.84	342.20	4.49	-37.35
CC(C)(C)OC(=O)NC1CN(C(=O)CCC2=N[N-]N=N2)C2(C1)CCCOC2	REAL300020218511	0	54	-1.0	-46.40	404.69	3.65	-42.75
CC(C)(C)OC(=O)NC1CN(C(=O)CCC2=NN=N[N-]2)C2(C1)CCCOC2	REAL300020218511	1	54	-1.0	-46.41	404.75	3.66	-42.75
O=C(CCC1=N[N-]N=N1)N1CCC2(CC1)C(=O)NC1=CC=CC=C12	REAL300020218512	0	41	-1.0	-42.50	327.26	3.73	-38.77
O=C(CCC1=NN=N[N-]1)N1CCC2(CC1)C(=O)NC1=CC=CC=C12	REAL300020218512	1	41	-1.0	-42.51	327.32	3.74	-38.77
COC(=O)C(CC1=CSC=C1)NC(=O)CCC1=N[N-]N=N1	REAL300020218513	0	35	-1.0	-44.11	322.11	3.62	-40.49
COC(=O)C(CC1=CSC=C1)NC(=O)CCC1=NN=N[N-]1	REAL300020218513	1	35	-1.0	-44.09	322.16	3.63	-40.46
O=C(CCC1=N[N-]N=N1)N1CCC2=CC(Br)=C(Cl)C=C2C1	REAL300020218514	0	33	-1.0	-39.04	310.11	6.06	-32.98
O=C(CCC1=NN=N[N-]1)N1CCC2=CC(Br)=C(Cl)C=C2C1	REAL300020218514	1	33	-1.0	-39.05	310.17	6.07	-32.98
O=C(CCC1=N[N-]N=N1)N[C@H](CC1=CC=CC=C1)C1=NNC=N1	REAL300020218515	0	38	-1.0	-46.36	331.83	4.37	-41.99
O=C(CCC1=NN=N[N-]1)N[C@H](CC1=CC=CC=C1)C1=NNC=N1	REAL300020218515	1	38	-1.0	-46.41	331.89	4.38	-42.03
CC1(C)OC2(CCN(C(=O)CCC3=N[N-]N=N3)CC2)NC1=O	REAL300020218516	0	41	-1.0	-41.09	320.69	-0.27	-41.36
CC1(C)OC2(CCN(C(=O)CCC3=NN=N[N-]3)CC2)NC1=O	REAL300020218516	1	41	-1.0	-41.14	320.75	-0.26	-41.40
CC1=CC=CC(NC(=O)NCC2CCN(C(=O)CCC3=N[N-]N=N3)C2)=C1	REAL300020218517	0	48	-1.0	-47.73	394.92	4.08	-43.65
CC1=CC=CC(NC(=O)NCC2CCN(C(=O)CCC3=NN=N[N-]3)C2)=C1	REAL300020218517	1	48	-1.0	-47.75	394.98	4.09	-43.66
CC1C(C2=CC=C(F)C(F)=C2)CCN1C(=O)CCC1=N[N-]N=N1	REAL300020218518	0	39	-1.0	-41.86	320.50	6.03	-35.83
CC1C(C2=CC=C(F)C(F)=C2)CCN1C(=O)CCC1=NN=N[N-]1	REAL300020218518	1	39	-1.0	-41.90	320.55	6.04	-35.86
CN(C(=O)CCC1=N[N-]N=N1)C1=CC=C(S(N)(=O)=O)C=C1	REAL300020218519	0	34	-1.0	-46.44	307.88	-0.74	-47.18
CN(C(=O)CCC1=NN=N[N-]1)C1=CC=C(S(N)(=O)=O)C=C1	REAL300020218519	1	34	-1.0	-46.50	307.94	-0.73	-47.23
CCOC(=O)C1=C(C)N=C(N(C)C(=O)CCC2=N[N-]N=N2)O1	REAL300020218520	0	37	-1.0	-41.61	322.04	3.39	-38.22
CCOC(=O)C1=C(C)N=C(N(C)C(=O)CCC2=NN=N[N-]2)O1	REAL300020218520	1	37	-1.0	-41.62	322.10	3.40	-38.22
O=C(CCC1=N[N-]N=N1)N1CCCC(C2=CC(O)=CC(F)=C2)C1	REAL300020218521	0	40	-1.0	-40.98	329.91	3.46	-37.52
O=C(CCC1=NN=N[N-]1)N1CCCC(C2=CC(O)=CC(F)=C2)C1	REAL300020218521	1	40	-1.0	-40.95	329.96	3.47	-37.48
O=C(CCC1=N[N-]N=N1)N1CCC2=CC(O)=CC(Br)=C2C1	REAL300020218522	0	34	-1.0	-40.79	303.46	2.62	-38.17
O=C(CCC1=NN=N[N-]1)N1CCC2=CC(O)=CC(Br)=C2C1	REAL300020218522	1	34	-1.0	-40.80	303.51	2.63	-38.17
O=C(CCC1=N[N-]N=N1)NC1=CC2=CC=CC=C2C=C1Cl	REAL300020218523	0	32	-1.0	-40.03	291.50	5.45	-34.58
O=C(CCC1=NN=N[N-]1)NC1=CC2=CC=CC=C2C=C1Cl	REAL300020218523	1	32	-1.0	-40.02	291.55	5.46	-34.56
O=C(CCC1=N[N-]N=N1)N1CCC2(C1)CCS(=O)(=O)CC2	REAL300020218524	0	39	-1.0	-49.00	315.45	0.91	-48.09
O=C(CCC1=NN=N[N-]1)N1CCC2(C1)CCS(=O)(=O)CC2	REAL300020218524	1	39	-1.0	-49.00	315.51	0.92	-48.08
CC1=CC=C(Cl)C(C2CCCN2C(=O)CCC2=N[N-]N=N2)=C1	REAL300020218525	0	39	-1.0	-40.82	332.51	7.22	-33.60
CC1=CC=C(Cl)C(C2CCCN2C(=O)CCC2=NN=N[N-]2)=C1	REAL300020218525	1	39	-1.0	-40.83	332.57	7.23	-33.60
CN(C(=O)CCC1=N[N-]N=N1)C1=CC=C(F)C=C1I	REAL300020218526	0	29	-1.0	-38.61	287.56	5.97	-32.64
CN(C(=O)CCC1=NN=N[N-]1)C1=CC=C(F)C=C1I	REAL300020218526	1	29	-1.0	-38.64	287.62	5.99	-32.65
O=C(CCC1=N[N-]N=N1)N[C@@H](C1=CC=C(C(F)(F)F)C=C1)C(F)F	REAL300020218527	0	35	-1.0	-38.09	324.78	4.75	-33.34
O=C(CCC1=NN=N[N-]1)N[C@@H](C1=CC=C(C(F)(F)F)C=C1)C(F)F	REAL300020218527	1	35	-1.0	-38.12	324.83	4.77	-33.35
O=C(CCC1=N[N-]N=N1)N[C@@H](C1=CC=CC(C(F)(F)F)=C1)C(F)F	REAL300020218528	0	35	-1.0	-38.76	324.77	4.74	-34.02
O=C(CCC1=NN=N[N-]1)N[C@@H](C1=CC=CC(C(F)(F)F)=C1)C(F)F	REAL300020218528	1	35	-1.0	-38.79	324.83	4.76	-34.03
O=C(CCC1=N[N-]N=N1)NC(C1=CC=CC=C1C(F)(F)F)C(F)F	REAL300020218541	0	35	-1.0	-44.70	312.28	4.98	-39.72
O=C(CCC1=NN=N[N-]1)NC(C1=CC=CC=C1C(F)(F)F)C(F)F	REAL300020218541	1	35	-1.0	-44.68	312.33	4.99	-39.69
CC1=CC=C(C2CCC(NC(=O)CCC3=N[N-]N=N3)CC2)C=C1	REAL300020218542	0	45	-1.0	-40.27	354.15	6.93	-33.34
CC1=CC=C(C2CCC(NC(=O)CCC3=NN=N[N-]3)CC2)C=C1	REAL300020218542	1	45	-1.0	-40.27	354.20	6.94	-33.33
COC1=CC=C2C(=C1)CCN(C(=O)CCC1=N[N-]N=N1)C2C(C)C	REAL300020218543	0	46	-1.0	-40.92	354.19	6.28	-34.64
COC1=CC=C2C(=C1)CCN(C(=O)CCC1=NN=N[N-]1)C2C(C)C	REAL300020218543	1	46	-1.0	-40.98	354.24	6.29	-34.69
CC(C)(C)OC(=O)N1CC2CCCC(NC(=O)CCC3=N[N-]N=N3)C2C1	REAL300020218544	0	53	-1.0	-44.00	404.21	4.98	-39.02
CC(C)(C)OC(=O)N1CC2CCCC(NC(=O)CCC3=NN=N[N-]3)C2C1	REAL300020218544	1	53	-1.0	-43.95	404.26	4.99	-38.96
O=C(CCC1=NN=N[N-]1)NC1=CC2=C(Cl)N=CC(F)=C2C=C1	REAL300020218545	0	31	-1.0	-41.42	293.31	3.47	-37.95
O=C(CCC1=N[N-]N=N1)NC1=CC2=C(Cl)N=CC(F)=C2C=C1	REAL300020218545	1	31	-1.0	-41.44	293.25	3.45	-37.99
O=C(CCC1=NN=N[N-]1)N1CCC(NC(=O)C(F)(F)F)CC1	REAL300020218546	0	36	-1.0	-41.23	314.54	1.58	-39.65
O=C(CCC1=N[N-]N=N1)N1CCC(NC(=O)C(F)(F)F)CC1	REAL300020218546	1	36	-1.0	-41.23	314.48	1.57	-39.66
O=C(CCC1=N[N-]N=N1)N1CCC([N-]C(=O)C(F)(F)F)CC1	REAL300020218546	1	35	-2.0	-78.26	308.02	-0.06	-78.32
O=C(CCC1=NN=N[N-]1)N1CCC([N-]C(=O)C(F)(F)F)CC1	REAL300020218546	1	35	-2.0	-78.24	308.08	-0.05	-78.29
CN1C=C(C23CCC2CCN3C(=O)CCC2=NN=N[N-]2)C=N1	REAL300020218547	0	40	-1.0	-46.66	321.61	4.41	-42.25
CN1C=C(C23CCC2CCN3C(=O)CCC2=N[N-]N=N2)C=N1	REAL300020218547	1	40	-1.0	-46.67	321.56	4.39	-42.28
CCOC(=O)C1CCN(C(=O)CCC2=N[N-]N=N2)C12CCC2	REAL300020218548	0	42	-1.0	-41.23	332.24	5.05	-36.18
CCOC(=O)C1CCN(C(=O)CCC2=NN=N[N-]2)C12CCC2	REAL300020218548	1	42	-1.0	-41.26	332.30	5.06	-36.20
CC(C)(C)OC(=O)N1CCC2(CCOCC2)C(NC(=O)CCC2=N[N-]N=N2)C1	REAL300020218549	0	57	-1.0	-47.01	418.50	3.53	-43.48
CC(C)(C)OC(=O)N1CCC2(CCOCC2)C(NC(=O)CCC2=NN=N[N-]2)C1	REAL300020218549	1	57	-1.0	-46.98	418.55	3.55	-43.43
CC1(C)CCCN(C(=O)CCC2=N[N-]N=N2)C1C(F)(F)F	REAL300020218550	0	38	-1.0	-41.31	288.77	4.89	-36.42
CC1(C)CCCN(C(=O)CCC2=NN=N[N-]2)C1C(F)(F)F	REAL300020218550	1	38	-1.0	-41.32	288.82	4.90	-36.42
O=C(CCC1=N[N-]N=N1)N1CCCC1C1=CC(Br)=CC=C1Cl	REAL300020218551	0	36	-1.0	-40.74	332.30	7.18	-33.56
O=C(CCC1=NN=N[N-]1)N1CCCC1C1=CC(Br)=CC=C1Cl	REAL300020218551	1	36	-1.0	-40.77	332.36	7.19	-33.58
CC(N(C)C(=O)CCC1=N[N-]N=N1)C1(S(C)(=O)=O)CC1	REAL300020218552	0	38	-1.0	-47.84	307.17	1.26	-46.58
CC(N(C)C(=O)CCC1=NN=N[N-]1)C1(S(C)(=O)=O)CC1	REAL300020218552	1	38	-1.0	-47.85	307.22	1.28	-46.57
O=C(CCC1=NN=N[N-]1)NCCC(O)(C1=NC=CO1)C(F)(F)F	REAL300020218553	0	35	-1.0	-43.55	318.75	-2.63	-46.18
O=C(CCC1=N[N-]N=N1)NCCC(O)(C1=NC=CO1)C(F)(F)F	REAL300020218553	1	35	-1.0	-43.57	318.69	-2.64	-46.21
COC1=CC=CC=C1N1CC[NH+](CCCNC(=O)CCC2=N[N-]N=N2)CC1	REAL300020218554	0	54	0.0	-67.30	420.64	4.15	-63.15
COC1=CC=CC=C1N1CC[NH+](CCCNC(=O)CCC2=NN=N[N-]2)CC1	REAL300020218554	1	54	0.0	-67.28	420.70	4.16	-63.12
COC1=CC=CC=C1N1CCN(CCCNC(=O)CCC2=N[N-]N=N2)CC1	REAL300020218554	1	53	-1.0	-42.26	413.49	1.83	-40.43
COC1=CC=CC=C1N1CCN(CCCNC(=O)CCC2=NN=N[N-]2)CC1	REAL300020218554	1	53	-1.0	-42.32	413.55	1.84	-40.48
CC1(CS(C)(=O)=O)CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300020218555	0	41	-1.0	-48.47	321.14	1.49	-46.98
CC1(CS(C)(=O)=O)CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020218555	1	41	-1.0	-48.43	321.20	1.51	-46.92
CC(C)(C)O[C@@H]1C[C@H](CNC(=O)CCC2=N[N-]N=N2)C12CCC2	REAL300020218556	0	49	-1.0	-39.97	378.98	4.55	-35.42
CC(C)(C)O[C@@H]1C[C@H](CNC(=O)CCC2=NN=N[N-]2)C12CCC2	REAL300020218556	1	49	-1.0	-39.96	379.03	4.57	-35.39
O=C(CCC1=N[N-]N=N1)N1CCCC(COC(F)(F)F)C1	REAL300020218557	0	36	-1.0	-41.49	307.65	3.10	-38.39
O=C(CCC1=NN=N[N-]1)N1CCCC(COC(F)(F)F)C1	REAL300020218557	1	36	-1.0	-41.49	307.71	3.11	-38.38
O=C(CCC1=N[N-]N=N1)N1CCCC(C2=CC=C(F)C(O)=C2)C1	REAL300020218558	0	40	-1.0	-43.05	329.71	3.47	-39.58
O=C(CCC1=NN=N[N-]1)N1CCCC(C2=CC=C(F)C(O)=C2)C1	REAL300020218558	1	40	-1.0	-43.07	329.76	3.48	-39.59
O=C(CCC1=N[N-]N=N1)NC[C@@H]1C[C@H]1C1=CC=CC(Cl)=C1Cl	REAL300020218559	0	36	-1.0	-42.09	336.06	5.69	-36.40
O=C(CCC1=NN=N[N-]1)NC[C@@H]1C[C@H]1C1=CC=CC(Cl)=C1Cl	REAL300020218559	1	36	-1.0	-42.05	336.12	5.71	-36.34
O=C(CCC1=N[N-]N=N1)NCC1(C(F)(F)F)CC2CCC1CC2	REAL300020218560	0	42	-1.0	-38.35	321.21	4.91	-33.44
O=C(CCC1=NN=N[N-]1)NCC1(C(F)(F)F)CC2CCC1CC2	REAL300020218560	1	42	-1.0	-38.36	321.26	4.93	-33.43
O=C(CCC1=NN=N[N-]1)NCCN1C=NC2=C(C=CS2)C1=O	REAL300020218561	0	34	-1.0	-50.40	314.97	2.77	-47.63
O=C(CCC1=N[N-]N=N1)NCCN1C=NC2=C(C=CS2)C1=O	REAL300020218561	1	34	-1.0	-50.39	314.92	2.76	-47.63
CCOC(=O)C12CCC(CNC(=O)CCC3=N[N-]N=N3)(CC1)OC2(C)C	REAL300020218562	0	52	-1.0	-41.49	392.49	4.13	-37.36
CCOC(=O)C12CCC(CNC(=O)CCC3=NN=N[N-]3)(CC1)OC2(C)C	REAL300020218562	1	52	-1.0	-41.52	392.54	4.14	-37.38
COC(=O)C1(CNC(=O)CCC2=N[N-]N=N2)CC2CCC1CC2	REAL300020218563	0	45	-1.0	-39.61	341.71	4.68	-34.93
COC(=O)C1(CNC(=O)CCC2=NN=N[N-]2)CC2CCC1CC2	REAL300020218563	1	45	-1.0	-39.64	341.77	4.69	-34.95
CC(C)(C)OC(=O)NC1=CC=C(F)C(NC(=O)CCC2=N[N-]N=N2)=C1F	REAL300020218564	0	43	-1.0	-41.55	361.66	3.03	-38.52
CC(C)(C)OC(=O)NC1=CC=C(F)C(NC(=O)CCC2=NN=N[N-]2)=C1F	REAL300020218564	1	43	-1.0	-41.55	361.72	3.04	-38.51
NS(=O)(=O)CCOC1CN(C(=O)CCC2=N[N-]N=N2)C1	REAL300020218565	0	35	-1.0	-49.45	317.67	-3.76	-53.21
NS(=O)(=O)CCOC1CN(C(=O)CCC2=NN=N[N-]2)C1	REAL300020218565	1	35	-1.0	-49.41	317.72	-3.75	-53.16
O=C(CCC1=N[N-]N=N1)N1CCC(C2=CC=C(F)C(F)=C2)C1	REAL300020218566	0	36	-1.0	-41.86	310.99	5.64	-36.22
O=C(CCC1=NN=N[N-]1)N1CCC(C2=CC=C(F)C(F)=C2)C1	REAL300020218566	1	36	-1.0	-41.86	311.05	5.66	-36.20
COC1CC(C(=O)OC(C)(C)C)CN(C(=O)CCC2=N[N-]N=N2)C1	REAL300020218568	0	48	-1.0	-39.05	377.76	4.48	-34.57
COC1CC(C(=O)OC(C)(C)C)CN(C(=O)CCC2=NN=N[N-]2)C1	REAL300020218568	1	48	-1.0	-39.07	377.82	4.49	-34.58
CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)O[C@@H]2CN1C(=O)CCC1=N[N-]N=N1	REAL300020218569	0	45	-1.0	-49.35	361.49	4.54	-44.81
CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)O[C@@H]2CN1C(=O)CCC1=NN=N[N-]1	REAL300020218569	1	45	-1.0	-49.39	361.54	4.56	-44.83
O=C(CCC1=N[N-]N=N1)NC1CCS(=O)(=O)C2=CC=C(F)C=C21	REAL300020218570	0	36	-1.0	-49.14	315.58	0.54	-48.60
O=C(CCC1=NN=N[N-]1)NC1CCS(=O)(=O)C2=CC=C(F)C=C21	REAL300020218570	1	36	-1.0	-49.18	315.64	0.55	-48.63
COC1=CC(F)=CC(C2CCCN(C(=O)CCC3=N[N-]N=N3)C2)=C1	REAL300020218571	0	43	-1.0	-41.02	348.39	5.61	-35.41
COC1=CC(F)=CC(C2CCCN(C(=O)CCC3=NN=N[N-]3)C2)=C1	REAL300020218571	1	43	-1.0	-41.03	348.45	5.63	-35.40
CCOC(=O)CC1CCC2(CC1)CCN(C(=O)CCC1=N[N-]N=N1)CC2	REAL300020218572	0	54	-1.0	-42.39	398.36	7.50	-34.89
CCOC(=O)CC1CCC2(CC1)CCN(C(=O)CCC1=NN=N[N-]1)CC2	REAL300020218572	1	54	-1.0	-42.39	398.41	7.51	-34.88
O=C(CCC1=N[N-]N=N1)NC1=CC(F)=C(F)C(C(F)F)=C1	REAL300020218573	0	29	-1.0	-41.19	274.47	3.54	-37.65
O=C(CCC1=NN=N[N-]1)NC1=CC(F)=C(F)C(C(F)F)=C1	REAL300020218573	1	29	-1.0	-41.19	274.52	3.56	-37.63
COC(=O)C12CCC(CNC(=O)CCC3=N[N-]N=N3)(CC1)OC2	REAL300020218574	0	43	-1.0	-41.66	344.95	2.33	-39.33
COC(=O)C12CCC(CNC(=O)CCC3=NN=N[N-]3)(CC1)OC2	REAL300020218574	1	43	-1.0	-41.65	345.02	2.35	-39.30
COC(=O)C1=CC2=C(C=C(CNC(=O)CCC3=N[N-]N=N3)S2)S1	REAL300020218575	0	35	-1.0	-41.01	340.89	4.03	-36.98
COC(=O)C1=CC2=C(C=C(CNC(=O)CCC3=NN=N[N-]3)S2)S1	REAL300020218575	1	35	-1.0	-41.05	340.95	4.05	-37.00
CC(NC(=O)CCC1=N[N-]N=N1)C1=CC=C(OC(F)(F)F)C=C1	REAL300020218576	0	36	-1.0	-38.97	321.06	3.33	-35.64
CC(NC(=O)CCC1=NN=N[N-]1)C1=CC=C(OC(F)(F)F)C=C1	REAL300020218576	1	36	-1.0	-39.04	321.12	3.35	-35.69
O=C(CCC1=N[N-]N=N1)NC1C[N@H+](CC2=CC=CC=C2)C2(C1)CCOCC2	REAL300020218577	0	53	0.0	-59.15	397.17	5.06	-54.09
O=C(CCC1=N[N-]N=N1)NC1C[N@@H+](CC2=CC=CC=C2)C2(C1)CCOCC2	REAL300020218577	1	53	0.0	-59.16	397.05	5.06	-54.10
O=C(CCC1=NN=N[N-]1)NC1C[N@H+](CC2=CC=CC=C2)C2(C1)CCOCC2	REAL300020218577	1	53	0.0	-59.18	397.22	5.08	-54.10
O=C(CCC1=NN=N[N-]1)NC1C[N@@H+](CC2=CC=CC=C2)C2(C1)CCOCC2	REAL300020218577	1	53	0.0	-59.20	397.10	5.07	-54.13
CNC1=CC=C(C(=O)OC)C=C1NC(=O)CCC1=N[N-]N=N1	REAL300020218578	0	37	-1.0	-48.09	318.53	2.34	-45.75
CNC1=CC=C(C(=O)OC)C=C1NC(=O)CCC1=NN=N[N-]1	REAL300020218578	1	37	-1.0	-48.10	318.58	2.35	-45.75
O=C(CCC1=N[N-]N=N1)N1CCCCC1COC(F)(F)F	REAL300020218579	0	36	-1.0	-40.07	295.65	4.30	-35.77
O=C(CCC1=NN=N[N-]1)N1CCCCC1COC(F)(F)F	REAL300020218579	1	36	-1.0	-40.09	295.71	4.31	-35.78
CC(C)(NC(=O)CCC1=NN=N[N-]1)C1=NC2=CC=C(Cl)C=C2O1	REAL300020218580	0	37	-1.0	-38.81	329.76	1.47	-37.34
CC(C)(NC(=O)CCC1=N[N-]N=N1)C1=NC2=CC=C(Cl)C=C2O1	REAL300020218580	1	37	-1.0	-38.76	329.70	1.46	-37.30
CCOC(=O)C1=C(C)N=C(CC2CCN(C(=O)CCC3=N[N-]N=N3)C2)S1	REAL300020218581	0	47	-1.0	-43.05	403.98	5.77	-37.28
CCOC(=O)C1=C(C)N=C(CC2CCN(C(=O)CCC3=NN=N[N-]3)C2)S1	REAL300020218581	1	47	-1.0	-43.05	404.03	5.78	-37.27
CN(C(=O)CCC1=N[N-]N=N1)C1CCCC(NC(=O)OC(C)(C)C)C1	REAL300020218582	0	52	-1.0	-44.39	386.88	3.97	-40.42
CN(C(=O)CCC1=NN=N[N-]1)C1CCCC(NC(=O)OC(C)(C)C)C1	REAL300020218582	1	52	-1.0	-44.35	386.94	3.98	-40.37
CC(=O)NC1=CC=C(CN(C)C(=O)CCC2=N[N-]N=N2)C=C1	REAL300020218583	0	39	-1.0	-45.10	331.12	3.69	-41.41
CC(=O)NC1=CC=C(CN(C)C(=O)CCC2=NN=N[N-]2)C=C1	REAL300020218583	1	39	-1.0	-45.13	331.18	3.71	-41.42
CC(C)C(NC(=O)OC(C)(C)C)C(C)NC(=O)CCC1=N[N-]N=N1	REAL300020218584	0	51	-1.0	-39.68	390.91	2.98	-36.70
CC(C)C(NC(=O)OC(C)(C)C)C(C)NC(=O)CCC1=NN=N[N-]1	REAL300020218584	1	51	-1.0	-39.70	390.96	3.00	-36.70
CC1OC2(CNC(=O)OC(C)(C)C)CC1(NC(=O)CCC1=N[N-]N=N1)C2	REAL300020218585	0	51	-1.0	-43.10	405.01	0.46	-42.64
CC1OC2(CNC(=O)OC(C)(C)C)CC1(NC(=O)CCC1=NN=N[N-]1)C2	REAL300020218585	1	51	-1.0	-43.14	405.07	0.48	-42.66
CC(C)(C)OC(=O)NCC(NC(=O)CCC1=N[N-]N=N1)C1=CC=CC=C1F	REAL300020218586	0	49	-1.0	-42.45	407.51	4.11	-38.34
CC(C)(C)OC(=O)NCC(NC(=O)CCC1=NN=N[N-]1)C1=CC=CC=C1F	REAL300020218586	1	49	-1.0	-42.47	407.56	4.12	-38.35
O=C(CCC1=N[N-]N=N1)N1CCOC[C@]2(COC[C@H]3CCCCN32)C1	REAL300020218587	0	50	-1.0	-43.25	356.83	1.54	-41.71
O=C(CCC1=NN=N[N-]1)N1CCOC[C@]2(COC[C@H]3CCCCN32)C1	REAL300020218587	1	50	-1.0	-43.26	356.89	1.55	-41.71
CC1=CC(Br)=CC(C)=C1CN(C)C(=O)CCC1=N[N-]N=N1	REAL300020218588	0	38	-1.0	-39.10	316.54	6.26	-32.84
CC1=CC(Br)=CC(C)=C1CN(C)C(=O)CCC1=NN=N[N-]1	REAL300020218588	1	38	-1.0	-39.10	316.60	6.28	-32.82
CC(C)(C)OC(=O)NCC12CCC(NC(=O)CCC3=N[N-]N=N3)(CC1)CO2	REAL300020218589	0	54	-1.0	-43.32	409.67	1.54	-41.78
CC(C)(C)OC(=O)NCC12CCC(NC(=O)CCC3=NN=N[N-]3)(CC1)CO2	REAL300020218589	1	54	-1.0	-43.29	409.72	1.56	-41.73
O=C(CCC1=N[N-]N=N1)NC1=CC=CC=C1C(=O)NCC1=CC=CS1	REAL300020218590	0	40	-1.0	-44.62	354.18	4.25	-40.37
O=C(CCC1=NN=N[N-]1)NC1=CC=CC=C1C(=O)NCC1=CC=CS1	REAL300020218590	1	40	-1.0	-44.64	354.24	4.26	-40.38
O=C(CCC1=N[N-]N=N1)NC1CCOC2(CCSCC2)C1	REAL300020218591	0	41	-1.0	-39.32	322.02	2.87	-36.45
O=C(CCC1=NN=N[N-]1)NC1CCOC2(CCSCC2)C1	REAL300020218591	1	41	-1.0	-39.32	322.08	2.89	-36.43
CC(C)(C)OC(=O)NCC1(CNC(=O)CCC2=N[N-]N=N2)CCCC1	REAL300020218592	0	52	-1.0	-42.79	401.54	3.28	-39.51
CC(C)(C)OC(=O)NCC1(CNC(=O)CCC2=NN=N[N-]2)CCCC1	REAL300020218592	1	52	-1.0	-42.80	401.60	3.29	-39.51
O=C(CCC1=N[N-]N=N1)N[C@H](C1=CC=CC=C1C(F)(F)F)C(F)F	REAL300020218593	0	35	-1.0	-40.78	313.46	4.39	-36.39
O=C(CCC1=NN=N[N-]1)N[C@H](C1=CC=CC=C1C(F)(F)F)C(F)F	REAL300020218593	1	35	-1.0	-40.81	313.52	4.40	-36.41
O=C(CCC1=N[N-]N=N1)N[C@H](C1=CC=CC(C(F)(F)F)=C1)C(F)F	REAL300020218594	0	35	-1.0	-38.77	325.02	4.74	-34.03
O=C(CCC1=NN=N[N-]1)N[C@H](C1=CC=CC(C(F)(F)F)=C1)C(F)F	REAL300020218594	1	35	-1.0	-38.78	325.08	4.74	-34.04
CC(C)(C)OC(=O)N1CCC2(CC1)NC(=O)CN2C(=O)CCC1=N[N-]N=N1	REAL300020218595	0	51	-1.0	-42.80	385.30	1.92	-40.88
CC(C)(C)OC(=O)N1CCC2(CC1)NC(=O)CN2C(=O)CCC1=NN=N[N-]1	REAL300020218595	1	51	-1.0	-42.82	385.36	1.93	-40.89
CC(C)(C)OC(=O)NC1CN(C(=O)CCC2=N[N-]N=N2)C2(C1)CCCCCC2	REAL300020218596	0	59	-1.0	-44.23	423.19	5.30	-38.93
CC(C)(C)OC(=O)NC1CN(C(=O)CCC2=NN=N[N-]2)C2(C1)CCCCCC2	REAL300020218596	1	59	-1.0	-44.23	423.25	5.31	-38.92
CC(C)(C)OC(=O)N1CCC2(C1)CCCCC2NC(=O)CCC1=N[N-]N=N1	REAL300020218597	0	56	-1.0	-46.55	418.08	5.55	-41.00
CC(C)(C)OC(=O)N1CCC2(C1)CCCCC2NC(=O)CCC1=NN=N[N-]1	REAL300020218597	1	56	-1.0	-46.54	418.14	5.56	-40.98
CC(C)[N@H+](CCNC(=O)CCC1=NN=N[N-]1)CC1=CC=CO1	REAL300020218598	0	44	0.0	-61.95	340.84	3.63	-58.32
CC(C)[N@@H+](CCNC(=O)CCC1=NN=N[N-]1)CC1=CC=CO1	REAL300020218598	1	44	0.0	-62.49	339.02	3.67	-58.82
CC(C)N(CCNC(=O)CCC1=N[N-]N=N1)CC1=CC=CO1	REAL300020218598	1	43	-1.0	-41.42	339.87	1.71	-39.71
CC(C)N(CCNC(=O)CCC1=NN=N[N-]1)CC1=CC=CO1	REAL300020218598	1	43	-1.0	-41.40	339.92	1.73	-39.67
CC(C)(C)OC(=O)N1CCC[C@@]1(C)CNC(=O)CCC1=N[N-]N=N1	REAL300020218599	0	49	-1.0	-44.35	380.29	4.24	-40.11
CC(C)(C)OC(=O)N1CCC[C@@]1(C)CNC(=O)CCC1=NN=N[N-]1	REAL300020218599	1	49	-1.0	-44.35	380.35	4.25	-40.10
CC(C)(C)OC(=O)N1CCC[C@]1(C)CNC(=O)CCC1=N[N-]N=N1	REAL300020218600	0	49	-1.0	-44.04	380.31	4.20	-39.84
CC(C)(C)OC(=O)N1CCC[C@]1(C)CNC(=O)CCC1=NN=N[N-]1	REAL300020218600	1	49	-1.0	-44.04	380.37	4.21	-39.83
CN1C=C(NC(=O)CCC2=NN=N[N-]2)C(C(=O)N2CCOCC2)=N1	REAL300020218601	0	41	-1.0	-43.70	337.77	0.65	-43.05
CN1C=C(NC(=O)CCC2=N[N-]N=N2)C(C(=O)N2CCOCC2)=N1	REAL300020218601	1	41	-1.0	-43.71	337.71	0.63	-43.08
O=C(CCC1=N[N-]N=N1)N1CCCCC2=C1C=C(Br)S2	REAL300020218602	0	33	-1.0	-39.14	303.10	5.81	-33.33
O=C(CCC1=NN=N[N-]1)N1CCCCC2=C1C=C(Br)S2	REAL300020218602	1	33	-1.0	-39.14	303.16	5.82	-33.32
O=C(CCC1=N[N-]N=N1)NCC1=CC(OC2=CC=C(F)C(F)=C2)=CC=N1	REAL300020218603	0	39	-1.0	-41.66	354.01	3.82	-37.84
O=C(CCC1=NN=N[N-]1)NCC1=CC(OC2=CC=C(F)C(F)=C2)=CC=N1	REAL300020218603	1	39	-1.0	-41.69	354.07	3.84	-37.85
CC(C)(C)OC(=O)NCC12CCC(CNC(=O)CCC3=N[N-]N=N3)(CC1)OC2	REAL300020218604	0	57	-1.0	-43.08	432.61	2.43	-40.65
CC(C)(C)OC(=O)NCC12CCC(CNC(=O)CCC3=NN=N[N-]3)(CC1)OC2	REAL300020218604	1	57	-1.0	-43.05	432.67	2.45	-40.60
O=C(CCC1=N[N-]N=N1)NCCNC(=O)CC1=CC=CC=C1	REAL300020218605	0	39	-1.0	-45.15	338.78	1.82	-43.33
O=C(CCC1=NN=N[N-]1)NCCNC(=O)CC1=CC=CC=C1	REAL300020218605	1	39	-1.0	-45.18	338.84	1.84	-43.34
O=C(CCC1=N[N-]N=N1)NC1CCC(N2CCOC2=O)CC1	REAL300020218606	0	41	-1.0	-52.11	325.85	2.64	-49.47
O=C(CCC1=NN=N[N-]1)NC1CCC(N2CCOC2=O)CC1	REAL300020218606	1	41	-1.0	-52.14	325.91	2.66	-49.48
COC(=O)C1(C2=CC=CC(NC(=O)CCC3=N[N-]N=N3)=C2)CCC1	REAL300020218607	0	42	-1.0	-41.95	352.44	5.68	-36.27
COC(=O)C1(C2=CC=CC(NC(=O)CCC3=NN=N[N-]3)=C2)CCC1	REAL300020218607	1	42	-1.0	-41.98	352.50	5.70	-36.28
CC(C)(C)OC(=O)N1CCCC2(CNC(=O)CCC3=N[N-]N=N3)CCCC12	REAL300020218608	0	56	-1.0	-45.65	411.22	5.93	-39.72
CC(C)(C)OC(=O)N1CCCC2(CNC(=O)CCC3=NN=N[N-]3)CCCC12	REAL300020218608	1	56	-1.0	-45.63	411.28	5.94	-39.69
CC(C)(C)OC(=O)NCCOCCNC(=O)CCC1=N[N-]N=N1	REAL300020218609	0	46	-1.0	-45.69	379.57	-0.41	-46.10
CC(C)(C)OC(=O)NCCOCCNC(=O)CCC1=NN=N[N-]1	REAL300020218609	1	46	-1.0	-45.69	379.63	-0.39	-46.08
O=C(CCC1=N[N-]N=N1)N1CCOC2C3=CC=CC=C3OCC21	REAL300020218610	0	39	-1.0	-39.60	311.72	3.19	-36.41
O=C(CCC1=NN=N[N-]1)N1CCOC2C3=CC=CC=C3OCC21	REAL300020218610	1	39	-1.0	-39.65	311.78	3.21	-36.44
CC(CNC(=O)CCC1=N[N-]N=N1)C1=CC=NC=C1Br	REAL300020218611	0	34	-1.0	-40.30	307.84	2.79	-37.51
CC(CNC(=O)CCC1=NN=N[N-]1)C1=CC=NC=C1Br	REAL300020218611	1	34	-1.0	-40.31	307.90	2.81	-37.50
CC(C)(C)OC(=O)NCC1CCS(=O)(=NC(=O)CCC2=N[N-]N=N2)CC1	REAL300020218612	0	51	-1.0	-60.79	410.79	1.52	-59.27
CC(C)(C)OC(=O)NCC1CCS(=O)(=NC(=O)CCC2=NN=N[N-]2)CC1	REAL300020218612	1	51	-1.0	-60.74	410.85	1.54	-59.20
COC(=O)C(C#N)C1CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300020218613	0	39	-1.0	-43.14	325.09	4.21	-38.93
COC(=O)C(C#N)C1CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020218613	1	39	-1.0	-43.15	325.14	4.22	-38.93
CCOC(=O)C(CC1=CC=CC=N1)NC(=O)CCC1=N[N-]N=N1	REAL300020218614	0	40	-1.0	-46.33	349.11	3.71	-42.62
CCOC(=O)C(CC1=CC=CC=N1)NC(=O)CCC1=NN=N[N-]1	REAL300020218614	1	40	-1.0	-46.31	349.17	3.73	-42.58
CC1=CC(O)=C(Br)C=C1NC(=O)CCC1=N[N-]N=N1	REAL300020218615	0	30	-1.0	-41.75	280.74	1.23	-40.52
CC1=CC(O)=C(Br)C=C1NC(=O)CCC1=NN=N[N-]1	REAL300020218615	1	30	-1.0	-41.72	280.80	1.25	-40.47
COC(=O)[C@H](NC(=O)CCC1=N[N-]N=N1)C1=CC=C(O)C=C1	REAL300020218616	0	36	-1.0	-44.55	320.26	0.90	-43.65
COC(=O)[C@H](NC(=O)CCC1=NN=N[N-]1)C1=CC=C(O)C=C1	REAL300020218616	1	36	-1.0	-44.54	320.31	0.91	-43.63
CN1C(C2CC2)=C(NC(=O)CCC2=N[N-]N=N2)C(=O)N1C1=CC=CC=C1	REAL300020218617	0	44	-1.0	-58.40	376.42	5.81	-52.59
CN1C(C2CC2)=C(NC(=O)CCC2=NN=N[N-]2)C(=O)N1C1=CC=CC=C1	REAL300020218617	1	44	-1.0	-58.39	376.48	5.83	-52.56
O=C(CCC1=N[N-]N=N1)N1CCCC[C@H](N2CCOCC2)C1	REAL300020218618	0	45	-1.0	-40.63	331.42	1.80	-38.83
O=C(CCC1=NN=N[N-]1)N1CCCC[C@H](N2CCOCC2)C1	REAL300020218618	1	45	-1.0	-40.64	331.48	1.82	-38.82
O=C(CCC1=N[N-]N=N1)N1CCCC[C@H]([NH+]2CCOCC2)C1	REAL300020218618	1	46	0.0	-57.87	336.39	4.26	-53.61
O=C(CCC1=NN=N[N-]1)N1CCCC[C@H]([NH+]2CCOCC2)C1	REAL300020218618	1	46	0.0	-57.87	336.44	4.28	-53.59
O=C(CCC1=N[N-]N=N1)N1CC2(CCC2)OC2=CC=C(Br)C=C21	REAL300020218619	0	38	-1.0	-39.37	329.19	5.99	-33.38
O=C(CCC1=NN=N[N-]1)N1CC2(CCC2)OC2=CC=C(Br)C=C21	REAL300020218619	1	38	-1.0	-39.34	329.25	6.00	-33.34
O=C(CCC1=N[N-]N=N1)N1CCCC1C1=CC(F)=CC(F)=C1F	REAL300020218620	0	36	-1.0	-39.94	315.00	6.30	-33.64
O=C(CCC1=NN=N[N-]1)N1CCCC1C1=CC(F)=CC(F)=C1F	REAL300020218620	1	36	-1.0	-39.95	315.06	6.31	-33.64
CC1=CC=C(CN2CCN(C(=O)CCC3=N[N-]N=N3)CC2)C=C1	REAL300020218621	0	44	-1.0	-39.42	349.84	4.72	-34.70
CC1=CC=C(CN2CCN(C(=O)CCC3=NN=N[N-]3)CC2)C=C1	REAL300020218621	1	44	-1.0	-39.38	349.90	4.73	-34.65
CC1=CC=C(C[NH+]2CCN(C(=O)CCC3=N[N-]N=N3)CC2)C=C1	REAL300020218621	1	45	0.0	-63.34	352.10	6.92	-56.42
O=C(CCC1=N[N-]N=N1)NC1=CC(O)=CC(C(F)(F)F)=C1	REAL300020218622	0	30	-1.0	-41.70	281.86	0.72	-40.98
O=C(CCC1=NN=N[N-]1)NC1=CC(O)=CC(C(F)(F)F)=C1	REAL300020218622	1	30	-1.0	-41.67	281.92	0.74	-40.93
O=C(CCC1=N[N-]N=N1)NC1(CC2=CC=C(Cl)C=C2)CC1	REAL300020218623	0	36	-1.0	-40.56	323.86	5.33	-35.23
O=C(CCC1=NN=N[N-]1)NC1(CC2=CC=C(Cl)C=C2)CC1	REAL300020218623	1	36	-1.0	-40.53	323.92	5.34	-35.19
CN(C)C1=CC=C2CCCN(C(=O)CCC3=N[N-]N=N3)CC2=C1	REAL300020218624	0	44	-1.0	-42.00	339.35	6.01	-35.99
CN(C)C1=CC=C2CCCN(C(=O)CCC3=NN=N[N-]3)CC2=C1	REAL300020218624	1	44	-1.0	-42.01	339.40	6.02	-35.99
CC1=NN(C2=NC=CC=C2NC(=O)CCC2=NN=N[N-]2)C(C)=C1	REAL300020218625	0	38	-1.0	-44.09	321.62	5.36	-38.73
CC1=NN(C2=NC=CC=C2NC(=O)CCC2=N[N-]N=N2)C(C)=C1	REAL300020218625	1	38	-1.0	-44.07	321.56	5.34	-38.73
CCOC(=O)C12CC(CO)(C1)OC21CN(C(=O)CCC2=N[N-]N=N2)C1	REAL300020218626	0	45	-1.0	-49.67	374.38	0.37	-49.30
CCOC(=O)C12CC(CO)(C1)OC21CN(C(=O)CCC2=NN=N[N-]2)C1	REAL300020218626	1	45	-1.0	-49.68	374.44	0.39	-49.29
O=C(CCC1=N[N-]N=N1)NC(CCO)C1=CC=C(Br)C=C1	REAL300020218627	0	36	-1.0	-39.03	321.63	1.44	-37.59
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CCCC(NC(=O)CCC1=N[N-]N=N1)C1=CC(F)=CC=C1F	REAL300020218628	0	38	-1.0	-40.53	330.37	5.76	-34.77
CCCC(NC(=O)CCC1=NN=N[N-]1)C1=CC(F)=CC=C1F	REAL300020218628	1	38	-1.0	-40.52	330.42	5.77	-34.75
COC1(OC)CC2(CC(CNC(=O)CCC3=N[N-]N=N3)C2)C1	REAL300020218629	0	44	-1.0	-40.36	356.61	2.51	-37.85
COC1(OC)CC2(CC(CNC(=O)CCC3=NN=N[N-]3)C2)C1	REAL300020218629	1	44	-1.0	-40.36	356.67	2.53	-37.83
COC1=CC(NC(=O)CCC2=N[N-]N=N2)=CC(C(F)(F)F)=C1	REAL300020218630	0	33	-1.0	-40.80	300.33	2.88	-37.92
COC1=CC(NC(=O)CCC2=NN=N[N-]2)=CC(C(F)(F)F)=C1	REAL300020218630	1	33	-1.0	-40.78	300.39	2.89	-37.89
CCOC(=O)CC(C(F)F)N(C)C(=O)CCC1=N[N-]N=N1	REAL300020218631	0	37	-1.0	-49.01	314.23	4.75	-44.26
CCOC(=O)CC(C(F)F)N(C)C(=O)CCC1=NN=N[N-]1	REAL300020218631	1	37	-1.0	-48.96	314.28	4.77	-44.19
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O=C(CCC1=NN=N[N-]1)NCC1=CC(Br)=CNC1=O	REAL300020218632	1	29	-1.0	-47.11	282.56	0.21	-46.90
N#CC1=CC=CC(N2CCN(C(=O)CCC3=NN=N[N-]3)CC2)=N1	REAL300020218633	0	38	-1.0	-45.78	322.52	3.51	-42.27
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CC(C)(C)OC(=O)N1C2CCC1C(CNC(=O)CCC1=N[N-]N=N1)C2	REAL300020218634	0	50	-1.0	-47.88	393.28	4.29	-43.59
CC(C)(C)OC(=O)N1C2CCC1C(CNC(=O)CCC1=NN=N[N-]1)C2	REAL300020218634	1	50	-1.0	-47.88	393.35	4.30	-43.58
O=C(CCC1=N[N-]N=N1)N1CC(OC2=CC=CC=C2C(F)(F)F)C1	REAL300020218635	0	37	-1.0	-42.06	331.91	4.85	-37.21
O=C(CCC1=NN=N[N-]1)N1CC(OC2=CC=CC=C2C(F)(F)F)C1	REAL300020218635	1	37	-1.0	-42.01	331.97	4.87	-37.14
CC(C)(C)OC(=O)N1CCN(C(=O)CCC2=N[N-]N=N2)C2CCCCC21	REAL300020218636	0	53	-1.0	-38.80	388.63	5.59	-33.21
CC(C)(C)OC(=O)N1CCN(C(=O)CCC2=NN=N[N-]2)C2CCCCC21	REAL300020218636	1	53	-1.0	-38.82	388.69	5.61	-33.21
O=C(CCC1=N[N-]N=N1)N1CCC(N2C(=O)COCC2=O)CC1	REAL300020218637	0	40	-1.0	-46.61	320.97	1.24	-45.37
O=C(CCC1=NN=N[N-]1)N1CCC(N2C(=O)COCC2=O)CC1	REAL300020218637	1	40	-1.0	-46.62	321.02	1.26	-45.36
O=C(CCC1=N[N-]N=N1)NC1CCCCC1OCC1=CC=CC=C1	REAL300020218638	0	46	-1.0	-42.21	369.52	5.86	-36.35
O=C(CCC1=NN=N[N-]1)NC1CCCCC1OCC1=CC=CC=C1	REAL300020218638	1	46	-1.0	-42.18	369.58	5.87	-36.31
COC1=CC2=C(C(C)NC(=O)CCC3=N[N-]N=N3)N=CC=C2C=C1	REAL300020218639	0	41	-1.0	-44.52	343.74	3.19	-41.33
COC1=CC2=C(C(C)NC(=O)CCC3=NN=N[N-]3)N=CC=C2C=C1	REAL300020218639	1	41	-1.0	-44.48	343.80	3.20	-41.28
NS(=O)(=O)C1=CC=CC2=CC(NC(=O)CCC3=N[N-]N=N3)=CC=C21	REAL300020218640	0	37	-1.0	-48.69	326.62	-0.17	-48.86
NS(=O)(=O)C1=CC=CC2=CC(NC(=O)CCC3=NN=N[N-]3)=CC=C21	REAL300020218640	1	37	-1.0	-48.69	326.67	-0.15	-48.84
COC(=O)C1=CC=C(F)C2=C1CCN(C(=O)CCC1=N[N-]N=N1)C2	REAL300020218641	0	39	-1.0	-42.26	328.48	5.51	-36.75
COC(=O)C1=CC=C(F)C2=C1CCN(C(=O)CCC1=NN=N[N-]1)C2	REAL300020218641	1	39	-1.0	-42.27	328.54	5.52	-36.75
O=C(CCC1=N[N-]N=N1)NC(C1=CC=C(Br)C=C1)C(F)(F)F	REAL300020218642	0	32	-1.0	-38.84	310.93	4.47	-34.37
O=C(CCC1=NN=N[N-]1)NC(C1=CC=C(Br)C=C1)C(F)(F)F	REAL300020218642	1	32	-1.0	-38.88	310.98	4.48	-34.40
CC1=NC(C(NC(=O)CCC2=N[N-]N=N2)C2=CC=C(F)C=C2)=NO1	REAL300020218643	0	37	-1.0	-43.63	332.93	1.94	-41.69
CC1=NC(C(NC(=O)CCC2=NN=N[N-]2)C2=CC=C(F)C=C2)=NO1	REAL300020218643	1	37	-1.0	-43.67	332.99	1.95	-41.72
COC1=CC(F)=CC(F)=C1C1CN(C(=O)CCC2=N[N-]N=N2)CCO1	REAL300020218644	0	41	-1.0	-40.95	344.64	3.76	-37.19
COC1=CC(F)=CC(F)=C1C1CN(C(=O)CCC2=NN=N[N-]2)CCO1	REAL300020218644	1	41	-1.0	-40.96	344.70	3.77	-37.19
CC(NC(=O)CCC1=N[N-]N=N1)C1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300020218645	0	44	-1.0	-52.75	371.72	2.03	-50.72
CC(NC(=O)CCC1=NN=N[N-]1)C1=CC=C(N2CCCS2(=O)=O)C=C1	REAL300020218645	1	44	-1.0	-52.72	371.77	2.04	-50.68
O=C(CCC1=N[N-]N=N1)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300020218646	0	48	0.0	-61.12	358.59	5.45	-55.67
O=C(CCC1=N[N-]N=N1)NCC1CCC[N@H+](C2CCCC2)C1	REAL300020218646	1	48	0.0	-59.39	351.70	5.42	-53.97
O=C(CCC1=NN=N[N-]1)NCC1CCC[N@@H+](C2CCCC2)C1	REAL300020218646	1	48	0.0	-61.14	358.64	5.47	-55.67
O=C(CCC1=NN=N[N-]1)NCC1CCC[N@H+](C2CCCC2)C1	REAL300020218646	1	48	0.0	-59.37	351.76	5.44	-53.93
CC(F)(F)CCCN(CCCC(C)(F)F)C(=O)CCC1=N[N-]N=N1	REAL300020218647	0	46	-1.0	-46.33	386.97	7.62	-38.71
CC(F)(F)CCCN(CCCC(C)(F)F)C(=O)CCC1=NN=N[N-]1	REAL300020218647	1	46	-1.0	-46.35	387.02	7.63	-38.72
CN(C(=O)OCC1=CC=CC=C1)C1CCN(C(=O)CCC2=N[N-]N=N2)C1	REAL300020218648	0	47	-1.0	-48.37	386.42	5.91	-42.46
CN(C(=O)OCC1=CC=CC=C1)C1CCN(C(=O)CCC2=NN=N[N-]2)C1	REAL300020218648	1	47	-1.0	-48.40	386.48	5.92	-42.48
CCOC(=O)C1=NN(C)C(NC(=O)CCC2=NN=N[N-]2)=C1Br	REAL300020218649	0	35	-1.0	-38.23	325.61	3.07	-35.16
CCOC(=O)C1=NN(C)C(NC(=O)CCC2=N[N-]N=N2)=C1Br	REAL300020218649	1	35	-1.0	-38.23	325.55	3.06	-35.17
CS(=O)(=O)C1=CC=C(CNC(=O)CCC2=N[N-]N=N2)N=C1	REAL300020218650	0	34	-1.0	-48.93	313.43	-1.66	-50.59
CS(=O)(=O)C1=CC=C(CNC(=O)CCC2=NN=N[N-]2)N=C1	REAL300020218650	1	34	-1.0	-48.92	313.49	-1.65	-50.57
CC1=C(C2=CC=C3OCC(=O)NC3=C2)N=C(NC(=O)CCC2=NN=N[N-]2)S1	REAL300020218651	0	41	-1.0	-42.12	365.01	2.27	-39.85
CC1=C(C2=CC=C3OCC(=O)NC3=C2)N=C(NC(=O)CCC2=N[N-]N=N2)S1	REAL300020218651	1	41	-1.0	-42.15	364.95	2.26	-39.89
CC1=C(CCNC(=O)CCC2=N[N-]N=N2)C2=C(Cl)C=CC(Cl)=C2N1	REAL300020218652	0	39	-1.0	-42.53	359.54	4.86	-37.67
CC1=C(CCNC(=O)CCC2=NN=N[N-]2)C2=C(Cl)C=CC(Cl)=C2N1	REAL300020218652	1	39	-1.0	-42.53	359.59	4.88	-37.65
COC1=CC=CC(F)=C1C1CCCN1C(=O)CCC1=N[N-]N=N1	REAL300020218653	0	40	-1.0	-44.30	328.52	5.65	-38.65
COC1=CC=CC(F)=C1C1CCCN1C(=O)CCC1=NN=N[N-]1	REAL300020218653	1	40	-1.0	-44.31	328.58	5.67	-38.64
CCOC(=O)CC1CCN(C(=O)CCC2=N[N-]N=N2)C1(C)C	REAL300020218654	0	44	-1.0	-42.05	347.02	5.44	-36.61
CCOC(=O)CC1CCN(C(=O)CCC2=NN=N[N-]2)C1(C)C	REAL300020218654	1	44	-1.0	-42.06	347.09	5.45	-36.61
O=C(CCC1=N[N-]N=N1)N1CCCN(CC2=CC(F)=CC=C2F)CC1	REAL300020218655	0	44	-1.0	-41.67	350.25	5.32	-36.35
O=C(CCC1=NN=N[N-]1)N1CCCN(CC2=CC(F)=CC=C2F)CC1	REAL300020218655	1	44	-1.0	-41.68	350.30	5.34	-36.34
NS(=O)(=O)C1=CC2=CC=C(NC(=O)CCC3=N[N-]N=N3)C=C2C=C1	REAL300020218656	0	37	-1.0	-46.00	331.97	-0.20	-46.20
NS(=O)(=O)C1=CC2=CC=C(NC(=O)CCC3=NN=N[N-]3)C=C2C=C1	REAL300020218656	1	37	-1.0	-46.00	332.02	-0.19	-46.19
O=C(CCC1=NN=N[N-]1)NC1=CN=C(N2CCOCC2)N=C1	REAL300020218657	0	37	-1.0	-42.04	310.07	0.96	-41.08
O=C(CCC1=N[N-]N=N1)NC1=CN=C(N2CCOCC2)N=C1	REAL300020218657	1	37	-1.0	-42.03	310.01	0.94	-41.09
O=C(CCC1=N[N-]N=N1)N1CCOC2(CCC3(CC2)OCCO3)C1	REAL300020218658	0	46	-1.0	-40.63	348.62	2.86	-37.77
O=C(CCC1=NN=N[N-]1)N1CCOC2(CCC3(CC2)OCCO3)C1	REAL300020218658	1	46	-1.0	-40.64	348.67	2.87	-37.77
COC(=O)CC1CN(C(=O)CCC2=N[N-]N=N2)C2(CCC2)CO1	REAL300020218659	0	43	-1.0	-42.49	340.67	4.10	-38.39
COC(=O)CC1CN(C(=O)CCC2=NN=N[N-]2)C2(CCC2)CO1	REAL300020218659	1	43	-1.0	-42.48	340.73	4.11	-38.37
CC1(C)CC(NC(=O)CCC2=N[N-]N=N2)C1OCC1=CC=CC=C1	REAL300020218660	0	46	-1.0	-42.29	372.24	6.04	-36.25
CC1(C)CC(NC(=O)CCC2=NN=N[N-]2)C1OCC1=CC=CC=C1	REAL300020218660	1	46	-1.0	-42.31	372.30	6.05	-36.26
CC1=CC=CC=C1OC1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1	REAL300020218661	0	40	-1.0	-41.05	340.44	6.13	-34.92
CC1=CC=CC=C1OC1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1	REAL300020218661	1	40	-1.0	-41.06	340.50	6.14	-34.92
CC12CC3CC(C)(C1)CC(CNC(=O)CCC1=N[N-]N=N1)(C3)C2	REAL300020218662	0	49	-1.0	-37.91	357.17	5.90	-32.01
CC12CC3CC(C)(C1)CC(CNC(=O)CCC1=NN=N[N-]1)(C3)C2	REAL300020218662	1	49	-1.0	-37.89	357.22	5.91	-31.98
O=C(CCC1=N[N-]N=N1)N1CCN(C2CC2)C2=C(F)C=CC=C21	REAL300020218663	0	39	-1.0	-38.91	305.64	4.48	-34.43
O=C(CCC1=NN=N[N-]1)N1CCN(C2CC2)C2=C(F)C=CC=C21	REAL300020218663	1	39	-1.0	-38.94	305.70	4.50	-34.44
CC(C)(C)OC(=O)N1CCCC12CCS(=O)(=NC(=O)CCC1=N[N-]N=N1)C2	REAL300020218664	0	52	-1.0	-61.82	400.71	3.93	-57.89
CC(C)(C)OC(=O)N1CCCC12CCS(=O)(=NC(=O)CCC1=NN=N[N-]1)C2	REAL300020218664	1	52	-1.0	-61.86	400.77	3.94	-57.92
CC(C)(C)OC(=O)NC1CN(C(=O)CCC2=N[N-]N=N2)C2COCC12	REAL300020218665	0	48	-1.0	-44.53	378.37	1.15	-43.38
CC(C)(C)OC(=O)NC1CN(C(=O)CCC2=NN=N[N-]2)C2COCC12	REAL300020218665	1	48	-1.0	-44.54	378.43	1.16	-43.38
CC(C)OC1=CC=CC=C1[C@H](C)NC(=O)CCC1=N[N-]N=N1	REAL300020218666	0	42	-1.0	-41.73	342.21	4.51	-37.22
CC(C)OC1=CC=CC=C1[C@H](C)NC(=O)CCC1=NN=N[N-]1	REAL300020218666	1	42	-1.0	-41.77	342.27	4.51	-37.26
O=C(CCC1=N[N-]N=N1)N=S1(=O)CCCC2(C1)OCCO2	REAL300020218667	0	37	-1.0	-54.87	310.93	-0.21	-55.08
O=C(CCC1=NN=N[N-]1)N=S1(=O)CCCC2(C1)OCCO2	REAL300020218667	1	37	-1.0	-54.87	310.99	-0.19	-55.06
O=C(CCC1=N[N-]N=N1)N[C@@H]1C[C@H]1C1=CC=CC2=C1OCCO2	REAL300020218668	0	39	-1.0	-43.78	328.48	3.30	-40.48
O=C(CCC1=NN=N[N-]1)N[C@@H]1C[C@H]1C1=CC=CC2=C1OCCO2	REAL300020218668	1	39	-1.0	-43.77	328.53	3.31	-40.46
O=C(CCC1=N[N-]N=N1)NC1CCOC2(CCS(=O)(=O)CC2)C1	REAL300020218669	0	43	-1.0	-46.74	341.04	-0.79	-47.53
O=C(CCC1=NN=N[N-]1)NC1CCOC2(CCS(=O)(=O)CC2)C1	REAL300020218669	1	43	-1.0	-46.73	341.10	-0.77	-47.50
CS(C)(=O)=NC(=O)C1=CC=CC(NC(=O)CCC2=N[N-]N=N2)=C1	REAL300020218670	0	38	-1.0	-60.74	339.85	0.89	-59.85
CS(C)(=O)=NC(=O)C1=CC=CC(NC(=O)CCC2=NN=N[N-]2)=C1	REAL300020218670	1	38	-1.0	-60.79	339.90	0.90	-59.89
O=C(CCC1=N[N-]N=N1)NCC1=CC(F)=CC(I)=C1	REAL300020218671	0	29	-1.0	-38.02	291.78	3.86	-34.16
O=C(CCC1=NN=N[N-]1)NCC1=CC(F)=CC(I)=C1	REAL300020218671	1	29	-1.0	-38.01	291.83	3.87	-34.14
CC(C)(C)OC(=O)N1CC(NC(=O)CCC2=N[N-]N=N2)CC12CCOCC2	REAL300020218672	0	54	-1.0	-41.29	401.69	2.69	-38.60
CC(C)(C)OC(=O)N1CC(NC(=O)CCC2=NN=N[N-]2)CC12CCOCC2	REAL300020218672	1	54	-1.0	-41.31	401.75	2.71	-38.60
COC1=CC(O)=CC=C1OCCNC(=O)CCC1=N[N-]N=N1	REAL300020218673	0	38	-1.0	-45.33	327.75	-0.65	-45.98
COC1=CC(O)=CC=C1OCCNC(=O)CCC1=NN=N[N-]1	REAL300020218673	1	38	-1.0	-45.30	327.80	-0.64	-45.94
CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](NC(=O)CCC3=N[N-]N=N3)[C@@H]21	REAL300020218674	0	44	-1.0	-48.82	358.75	3.09	-45.73
CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](NC(=O)CCC3=NN=N[N-]3)[C@@H]21	REAL300020218674	1	44	-1.0	-48.82	358.81	3.11	-45.71
CC1=C2C(CCNC(=O)CCC3=N[N-]N=N3)=CN(C)C2=CC=C1	REAL300020218675	0	42	-1.0	-43.97	346.03	5.58	-38.39
CC1=C2C(CCNC(=O)CCC3=NN=N[N-]3)=CN(C)C2=CC=C1	REAL300020218675	1	42	-1.0	-43.98	346.09	5.60	-38.38
NS(=O)(=O)C1=CC2=C(NC(=O)CCC3=N[N-]N=N3)C=CC=C2C=C1	REAL300020218676	0	37	-1.0	-47.64	329.08	-0.05	-47.69
NS(=O)(=O)C1=CC2=C(NC(=O)CCC3=NN=N[N-]3)C=CC=C2C=C1	REAL300020218676	1	37	-1.0	-47.66	329.14	-0.03	-47.69
CC(C)(C)OC(=O)N1CC2CCC(NC(=O)CCC3=N[N-]N=N3)C2C1	REAL300020218677	0	50	-1.0	-44.07	385.36	4.07	-40.00
CC(C)(C)OC(=O)N1CC2CCC(NC(=O)CCC3=NN=N[N-]3)C2C1	REAL300020218677	1	50	-1.0	-44.06	385.41	4.08	-39.98
CC(C)(C)OC(=O)NC(CNC(=O)CCC1=N[N-]N=N1)C1CCC1	REAL300020218678	0	49	-1.0	-39.95	382.22	3.19	-36.76
CC(C)(C)OC(=O)NC(CNC(=O)CCC1=NN=N[N-]1)C1CCC1	REAL300020218678	1	49	-1.0	-39.92	382.27	3.21	-36.71
COC(=O)C1=CC=C2C(=C1)N(C(=O)CCC1=N[N-]N=N1)CCN2C	REAL300020218679	0	41	-1.0	-47.43	335.53	3.99	-43.44
COC(=O)C1=CC=C2C(=C1)N(C(=O)CCC1=NN=N[N-]1)CCN2C	REAL300020218679	1	41	-1.0	-47.41	335.58	4.00	-43.41
O=C(CCC1=N[N-]N=N1)N1CCOCC1C1=CC=C(C(F)(F)F)C=C1	REAL300020218680	0	40	-1.0	-39.08	335.83	4.76	-34.32
O=C(CCC1=NN=N[N-]1)N1CCOCC1C1=CC=C(C(F)(F)F)C=C1	REAL300020218680	1	40	-1.0	-39.05	335.88	4.78	-34.27
O=C(CCC1=N[N-]N=N1)NCC(=O)NC1CCCC2=CC=CC=C21	REAL300020218681	0	43	-1.0	-43.64	349.91	2.89	-40.75
O=C(CCC1=NN=N[N-]1)NCC(=O)NC1CCCC2=CC=CC=C21	REAL300020218681	1	43	-1.0	-43.61	349.97	2.91	-40.70
CC1=NN(C2=CC=CC(CNC(=O)CCC3=N[N-]N=N3)=C2)C(C)=C1	REAL300020218682	0	42	-1.0	-45.90	358.19	4.91	-40.99
CC1=NN(C2=CC=CC(CNC(=O)CCC3=NN=N[N-]3)=C2)C(C)=C1	REAL300020218682	1	42	-1.0	-45.88	358.25	4.92	-40.96
O=C(CCC1=N[N-]N=N1)N1CC(CF)OCC12CNC(=O)OC2	REAL300020218683	0	39	-1.0	-51.20	312.19	0.06	-51.14
O=C(CCC1=NN=N[N-]1)N1CC(CF)OCC12CNC(=O)OC2	REAL300020218683	1	39	-1.0	-51.19	312.25	0.07	-51.12
O=C(CCC1=N[N-]N=N1)NC1=CC=CC(C2=NC3=CC(Cl)=CC=C3N2)=C1	REAL300020218684	0	39	-1.0	-51.89	353.89	5.66	-46.23
O=C(CCC1=NN=N[N-]1)NC1=CC=CC(C2=NC3=CC(Cl)=CC=C3N2)=C1	REAL300020218684	1	39	-1.0	-51.89	353.94	5.68	-46.21
O=C(CCC1=N[N-]N=N1)NC1=CC(Cl)=C(Br)C(Cl)=C1	REAL300020218685	0	26	-1.0	-37.57	282.70	4.09	-33.48
O=C(CCC1=NN=N[N-]1)NC1=CC(Cl)=C(Br)C(Cl)=C1	REAL300020218685	1	26	-1.0	-37.58	282.76	4.11	-33.47
COC1=CC=CC(C(=O)C2CCCN(C(=O)CCC3=N[N-]N=N3)C2)=C1	REAL300020218686	0	45	-1.0	-41.93	364.46	5.49	-36.44
COC1=CC=CC(C(=O)C2CCCN(C(=O)CCC3=NN=N[N-]3)C2)=C1	REAL300020218686	1	45	-1.0	-41.93	364.52	5.51	-36.42
O=C(CCC1=N[N-]N=N1)N[C@@H]1C[C@H]1C1=C(Cl)C=CC=C1Cl	REAL300020218687	0	33	-1.0	-41.04	313.87	4.87	-36.17
O=C(CCC1=NN=N[N-]1)N[C@@H]1C[C@H]1C1=C(Cl)C=CC=C1Cl	REAL300020218687	1	33	-1.0	-41.02	313.93	4.88	-36.14
C[C@@H]1CCN(C(=O)CCC2=N[N-]N=N2)C[C@@H]1C1=CC=C(O)C=C1	REAL300020218688	0	43	-1.0	-41.47	331.12	3.54	-37.93
C[C@@H]1CCN(C(=O)CCC2=NN=N[N-]2)C[C@@H]1C1=CC=C(O)C=C1	REAL300020218688	1	43	-1.0	-41.43	331.17	3.56	-37.87
COC(=O)C1=CC=C(NC(=O)CCC2=N[N-]N=N2)C(CC(C)C)=C1	REAL300020218689	0	44	-1.0	-39.96	357.57	6.61	-33.35
COC(=O)C1=CC=C(NC(=O)CCC2=NN=N[N-]2)C(CC(C)C)=C1	REAL300020218689	1	44	-1.0	-39.98	357.63	6.63	-33.35
CC1=CC(NNC(=O)CCC2=N[N-]N=N2)=NC=C1C(F)(F)F	REAL300020218690	0	33	-1.0	-38.67	300.62	2.98	-35.69
CC1=CC(NNC(=O)CCC2=NN=N[N-]2)=NC=C1C(F)(F)F	REAL300020218690	1	33	-1.0	-38.62	300.68	2.99	-35.63
CC(C)(C)OC(=O)NC12CCC(CNC(=O)CCC3=N[N-]N=N3)(CC1)OC2	REAL300020218691	0	54	-1.0	-44.39	409.17	1.31	-43.08
CC(C)(C)OC(=O)NC12CCC(CNC(=O)CCC3=NN=N[N-]3)(CC1)OC2	REAL300020218691	1	54	-1.0	-44.40	409.23	1.33	-43.07
CC(C)(C)OC(=O)N1CCCC1C(C)(C)CNC(=O)CCC1=N[N-]N=N1	REAL300020218692	0	55	-1.0	-41.87	407.63	5.26	-36.61
CC(C)(C)OC(=O)N1CCCC1C(C)(C)CNC(=O)CCC1=NN=N[N-]1	REAL300020218692	1	55	-1.0	-41.89	407.68	5.28	-36.61
O=C(CCC1=N[N-]N=N1)N1CCCCNC(=O)C(F)(F)C1	REAL300020218693	0	36	-1.0	-44.64	283.81	1.53	-43.11
O=C(CCC1=NN=N[N-]1)N1CCCCNC(=O)C(F)(F)C1	REAL300020218693	1	36	-1.0	-44.64	283.87	1.56	-43.08
O=C(CCC1=N[N-]N=N1)NC[C@@H](O)C1=CC=C(F)C(Br)=C1	REAL300020218694	0	33	-1.0	-41.87	314.04	0.96	-40.91
O=C(CCC1=NN=N[N-]1)NC[C@@H](O)C1=CC=C(F)C(Br)=C1	REAL300020218694	1	33	-1.0	-41.85	314.10	0.98	-40.87
CC(C)(C)OC(=O)N1CCCC1C(C)(C)NC(=O)CCC1=N[N-]N=N1	REAL300020218695	0	52	-1.0	-43.44	385.71	4.48	-38.96
CC(C)(C)OC(=O)N1CCCC1C(C)(C)NC(=O)CCC1=NN=N[N-]1	REAL300020218695	1	52	-1.0	-43.47	385.77	4.50	-38.97
CC1=CC(NC(=O)CCC2=N[N-]N=N2)=NN1CC1=CC=CC=C1	REAL300020218696	0	39	-1.0	-43.65	334.30	5.64	-38.01
CC1=CC(NC(=O)CCC2=NN=N[N-]2)=NN1CC1=CC=CC=C1	REAL300020218696	1	39	-1.0	-43.67	334.36	5.65	-38.02
O=C(CCC1=N[N-]N=N1)N[C@@H](C1=CC=CC=C1C(F)(F)F)C(F)F	REAL300020218697	0	35	-1.0	-40.18	312.48	4.97	-35.21
O=C(CCC1=NN=N[N-]1)N[C@@H](C1=CC=CC=C1C(F)(F)F)C(F)F	REAL300020218697	1	35	-1.0	-40.16	312.53	4.99	-35.17
O=C(CCC1=N[N-]N=N1)N[C@H](C1=CC=C(C(F)(F)F)C=C1)C(F)F	REAL300020218698	0	35	-1.0	-41.57	322.13	4.74	-36.83
O=C(CCC1=NN=N[N-]1)N[C@H](C1=CC=C(C(F)(F)F)C=C1)C(F)F	REAL300020218698	1	35	-1.0	-41.60	322.18	4.76	-36.84
O=C(CCC1=N[N-]N=N1)NC1(C2=CC=C(F)C=C2)CCCCC1	REAL300020218699	0	42	-1.0	-40.54	330.41	6.38	-34.16
O=C(CCC1=NN=N[N-]1)NC1(C2=CC=C(F)C=C2)CCCCC1	REAL300020218699	1	42	-1.0	-40.53	330.46	6.39	-34.14
O=C(CCC1=N[N-]N=N1)NC1(C2=CC=CC(F)=C2)CCCCC1	REAL300020218700	0	42	-1.0	-42.41	330.41	6.38	-36.03
O=C(CCC1=NN=N[N-]1)NC1(C2=CC=CC(F)=C2)CCCCC1	REAL300020218700	1	42	-1.0	-42.48	330.47	6.39	-36.09
O=C(CCC1=NN=N[N-]1)NC1=CC=C2C=NN(CCCC(F)(F)F)C2=C1	REAL300020218701	0	41	-1.0	-45.35	363.65	5.31	-40.04
O=C(CCC1=N[N-]N=N1)NC1=CC=C2C=NN(CCCC(F)(F)F)C2=C1	REAL300020218701	1	41	-1.0	-45.34	363.60	5.30	-40.04
CC1=CC(Br)=CC(C)=C1CNC(=O)CCC1=N[N-]N=N1	REAL300020218702	0	35	-1.0	-37.89	313.50	4.34	-33.55
CC1=CC(Br)=CC(C)=C1CNC(=O)CCC1=NN=N[N-]1	REAL300020218702	1	35	-1.0	-37.91	313.55	4.35	-33.56
CC1=CC=CC=C1C1(NC(=O)CCC2=N[N-]N=N2)CCCCC1	REAL300020218703	0	45	-1.0	-40.24	335.32	7.11	-33.13
CC1=CC=CC=C1C1(NC(=O)CCC2=NN=N[N-]2)CCCCC1	REAL300020218703	1	45	-1.0	-40.23	335.38	7.13	-33.10
COC1=CC=C([C@H](NC(=O)CCC2=N[N-]N=N2)C(F)F)C=C1	REAL300020218704	0	36	-1.0	-42.19	313.39	3.10	-39.09
COC1=CC=C([C@H](NC(=O)CCC2=NN=N[N-]2)C(F)F)C=C1	REAL300020218704	1	36	-1.0	-42.17	313.45	3.12	-39.05
O=C(CCC1=NN=N[N-]1)NC1=CC=CC2=NC=C(Br)C=C12	REAL300020218705	0	31	-1.0	-38.92	291.49	3.73	-35.19
O=C(CCC1=N[N-]N=N1)NC1=CC=CC2=NC=C(Br)C=C12	REAL300020218705	1	31	-1.0	-38.87	291.44	3.72	-35.15
COC1=CC=C2CCCC(NC(=O)CCC3=N[N-]N=N3)CC2=C1	REAL300020218706	0	43	-1.0	-45.51	342.29	4.28	-41.23
COC1=CC=C2CCCC(NC(=O)CCC3=NN=N[N-]3)CC2=C1	REAL300020218706	1	43	-1.0	-45.53	342.35	4.29	-41.24
CCOC(=O)N1CCC2=C(C1)SC(NC(=O)CCC1=N[N-]N=N1)=N2	REAL300020218707	0	40	-1.0	-40.92	349.87	2.95	-37.97
CCOC(=O)N1CCC2=C(C1)SC(NC(=O)CCC1=NN=N[N-]1)=N2	REAL300020218707	1	40	-1.0	-40.96	349.93	2.96	-38.00
O=C(CCC1=N[N-]N=N1)N1CCC(=O)C(CC2=CC=CC=C2)C1	REAL300020218708	0	41	-1.0	-39.68	330.90	6.29	-33.39
O=C(CCC1=NN=N[N-]1)N1CCC(=O)C(CC2=CC=CC=C2)C1	REAL300020218708	1	41	-1.0	-39.64	330.96	6.30	-33.34
CC(C)(C)OC(=O)C1N(C(=O)CCC2=N[N-]N=N2)CC12CCC2	REAL300020218709	0	45	-1.0	-47.37	359.02	6.61	-40.76
CC(C)(C)OC(=O)C1N(C(=O)CCC2=NN=N[N-]2)CC12CCC2	REAL300020218709	1	45	-1.0	-47.35	359.08	6.63	-40.72
O=C(CCC1=N[N-]N=N1)N1COC[C@]2(COC[C@H]3CCCCN32)C1	REAL300020218710	0	47	-1.0	-41.88	343.55	0.17	-41.71
O=C(CCC1=NN=N[N-]1)N1COC[C@]2(COC[C@H]3CCCCN32)C1	REAL300020218710	1	47	-1.0	-41.85	343.61	0.19	-41.66
COCCC1(NC(=O)CCC2=N[N-]N=N2)CCN(C(=O)OC(C)(C)C)C1	REAL300020218711	0	53	-1.0	-49.28	414.69	2.64	-46.64
COCCC1(NC(=O)CCC2=NN=N[N-]2)CCN(C(=O)OC(C)(C)C)C1	REAL300020218711	1	53	-1.0	-49.25	414.74	2.65	-46.60
COC(=O)C[C@H](NC(=O)CCC1=N[N-]N=N1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300020218712	0	48	-1.0	-47.03	405.54	8.14	-38.89
COC(=O)C[C@H](NC(=O)CCC1=NN=N[N-]1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300020218712	1	48	-1.0	-47.01	405.60	8.15	-38.86
CC(C)(C)OC(=O)N1CC2(C1)OC1(C)CC2(NC(=O)CCC2=N[N-]N=N2)C1	REAL300020218713	0	52	-1.0	-42.22	412.02	2.17	-40.05
CC(C)(C)OC(=O)N1CC2(C1)OC1(C)CC2(NC(=O)CCC2=NN=N[N-]2)C1	REAL300020218713	1	52	-1.0	-42.25	412.08	2.19	-40.06
C[NH+](C)C1CN(C(=O)CCC2=N[N-]N=N2)C2(C1)CCOCC2	REAL300020218714	0	46	0.0	-67.07	332.31	4.20	-62.87
C[NH+](C)C1CN(C(=O)CCC2=NN=N[N-]2)C2(C1)CCOCC2	REAL300020218714	1	46	0.0	-67.07	332.37	4.22	-62.85
O=C(CCC1=N[N-]N=N1)NC(CC1CC1)C1=CC=C(Cl)C=C1	REAL300020218715	0	39	-1.0	-38.56	343.75	6.26	-32.30
O=C(CCC1=NN=N[N-]1)NC(CC1CC1)C1=CC=C(Cl)C=C1	REAL300020218715	1	39	-1.0	-38.54	343.81	6.27	-32.27
O=C(CCC1=N[N-]N=N1)NC1CCN(C(=O)C2=CC=CS2)CC1	REAL300020218716	0	40	-1.0	-44.80	340.21	2.90	-41.90
O=C(CCC1=NN=N[N-]1)NC1CCN(C(=O)C2=CC=CS2)CC1	REAL300020218716	1	40	-1.0	-44.78	340.27	2.92	-41.86
CC(C)(C)OC(=O)N1CCCS(=O)(=NC(=O)CCC2=N[N-]N=N2)CC1	REAL300020218717	0	48	-1.0	-67.56	384.22	2.56	-65.00
CC(C)(C)OC(=O)N1CCCS(=O)(=NC(=O)CCC2=NN=N[N-]2)CC1	REAL300020218717	1	48	-1.0	-67.58	384.28	2.57	-65.01
CC(CNC(=O)CCC1=N[N-]N=N1)C1=CC=C(N(C)C)N=C1	REAL300020218718	0	42	-1.0	-43.19	344.58	3.87	-39.32
CC(CNC(=O)CCC1=NN=N[N-]1)C1=CC=C(N(C)C)N=C1	REAL300020218718	1	42	-1.0	-43.14	344.64	3.88	-39.26
CC(CNC(=O)CCC1=NN=N[N-]1)C1=CC=C(N(C)C)[NH+]=C1	REAL300020218718	1	43	0.0	-54.99	345.60	4.16	-50.83
COC1=C(Cl)C=C2N=C(NC(=O)CCC3=NN=N[N-]3)SC2=C1	REAL300020218719	0	32	-1.0	-44.13	310.96	3.41	-40.72
COC1=C(Cl)C=C2N=C(NC(=O)CCC3=N[N-]N=N3)SC2=C1	REAL300020218719	1	32	-1.0	-44.12	310.90	3.39	-40.73
CC(C)(C)OC(=O)N1CC(CNC(=O)CCC2=N[N-]N=N2)OCC12CCC2	REAL300020218720	0	54	-1.0	-41.02	414.78	2.70	-38.32
CC(C)(C)OC(=O)N1CC(CNC(=O)CCC2=NN=N[N-]2)OCC12CCC2	REAL300020218720	1	54	-1.0	-41.01	414.84	2.71	-38.30
CC(C)(C)OC(=O)NCCC1CCC(NC(=O)CCC2=N[N-]N=N2)C1	REAL300020218721	0	52	-1.0	-44.23	408.92	2.94	-41.29
CC(C)(C)OC(=O)NCCC1CCC(NC(=O)CCC2=NN=N[N-]2)C1	REAL300020218721	1	52	-1.0	-44.24	408.97	2.94	-41.30
CN(C)C1=CC=C(C(C)(C)CNC(=O)CCC2=N[N-]N=N2)C=N1	REAL300020218722	0	45	-1.0	-43.69	356.75	4.24	-39.45
CN(C)C1=CC=C(C(C)(C)CNC(=O)CCC2=NN=N[N-]2)C=N1	REAL300020218722	1	45	-1.0	-43.74	356.81	4.25	-39.49
CN(C)C1=CC=C(C(C)(C)CNC(=O)CCC2=NN=N[N-]2)C=[NH+]1	REAL300020218722	1	46	0.0	-53.59	357.46	4.70	-48.89
CN1C=NC(C(CNC(=O)CCC2=N[N-]N=N2)N2CCCC2)=C1	REAL300020218723	0	44	-1.0	-43.30	349.91	3.27	-40.03
CN1C=NC(C(CNC(=O)CCC2=NN=N[N-]2)N2CCCC2)=C1	REAL300020218723	1	44	-1.0	-43.29	349.96	3.29	-40.00
CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1CNC(=O)CCC1=N[N-]N=N1	REAL300020218724	0	43	-1.0	-42.46	353.45	1.13	-41.33
CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1CNC(=O)CCC1=NN=N[N-]1	REAL300020218724	1	43	-1.0	-42.44	353.51	1.14	-41.30
CC(C)(C)OC(=O)N1CC(N(CC2CCOCC2)C(=O)CCC2=N[N-]N=N2)C1	REAL300020218725	0	57	-1.0	-46.67	429.76	4.77	-41.90
CC(C)(C)OC(=O)N1CC(N(CC2CCOCC2)C(=O)CCC2=NN=N[N-]2)C1	REAL300020218725	1	57	-1.0	-46.70	429.81	4.79	-41.91
CC(C)(C)OC(=O)N1CC(CNC(=O)CCC2=N[N-]N=N2)(C(N)=O)C1	REAL300020218726	0	47	-1.0	-50.35	388.90	-1.36	-51.71
CC(C)(C)OC(=O)N1CC(CNC(=O)CCC2=NN=N[N-]2)(C(N)=O)C1	REAL300020218726	1	47	-1.0	-50.35	388.95	-1.35	-51.70
CN(CC1CN(C(=O)OC(C)(C)C)C1)C(=O)CCC1=N[N-]N=N1	REAL300020218727	0	46	-1.0	-44.35	369.38	4.15	-40.20
CN(CC1CN(C(=O)OC(C)(C)C)C1)C(=O)CCC1=NN=N[N-]1	REAL300020218727	1	46	-1.0	-44.36	369.44	4.16	-40.20
CC(C)(C)OC(=O)N1C[C@@H](CNC(=O)CCC2=N[N-]N=N2)[C@H](C(F)(F)F)C1	REAL300020218728	0	49	-1.0	-44.08	404.20	3.67	-40.41
CC(C)(C)OC(=O)N1C[C@@H](CNC(=O)CCC2=NN=N[N-]2)[C@H](C(F)(F)F)C1	REAL300020218728	1	49	-1.0	-44.10	404.26	3.69	-40.41
CC(C)(C)OC(=O)N1[C@@H](CNC(=O)CCC2=N[N-]N=N2)COC1(C)C	REAL300020218729	0	50	-1.0	-41.99	388.69	2.26	-39.73
CC(C)(C)OC(=O)N1[C@@H](CNC(=O)CCC2=NN=N[N-]2)COC1(C)C	REAL300020218729	1	50	-1.0	-41.97	388.75	2.28	-39.69
CC(C)(C)OC(=O)N1CC(OCCNC(=O)CCC2=N[N-]N=N2)C1	REAL300020218730	0	47	-1.0	-45.53	387.44	1.33	-44.20
CC(C)(C)OC(=O)N1CC(OCCNC(=O)CCC2=NN=N[N-]2)C1	REAL300020218730	1	47	-1.0	-45.51	387.50	1.34	-44.17
CC(C)(C)OC(=O)N1CCC(S(C)(=O)=NC(=O)CCC2=N[N-]N=N2)C1	REAL300020218731	0	48	-1.0	-55.45	396.65	2.15	-53.30
CC(C)(C)OC(=O)N1CCC(S(C)(=O)=NC(=O)CCC2=NN=N[N-]2)C1	REAL300020218731	1	48	-1.0	-55.45	396.71	2.16	-53.29
CN(CCS(C)(=O)=NC(=O)CCC1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL300020218732	0	47	-1.0	-63.00	392.25	2.02	-60.98
CN(CCS(C)(=O)=NC(=O)CCC1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL300020218732	1	47	-1.0	-63.02	392.31	2.03	-60.99
CC(C)(C)OC(=O)N1CCC12CCS(=O)(=NC(=O)CCC1=N[N-]N=N1)CC2	REAL300020218733	0	52	-1.0	-57.78	404.36	2.57	-55.21
CC(C)(C)OC(=O)N1CCC12CCS(=O)(=NC(=O)CCC1=NN=N[N-]1)CC2	REAL300020218733	1	52	-1.0	-57.82	404.42	2.58	-55.24
COC1(OC)CC(CNC(=O)CCC2=N[N-]N=N2)(CNC(=O)OC(C)(C)C)C1	REAL300020218734	0	57	-1.0	-43.66	446.44	1.23	-42.43
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COC(=O)C1=CC2(CCN(C(=O)CCC3=N[N-]N=N3)CC2)OC1	REAL300020218735	0	41	-1.0	-41.87	338.33	3.53	-38.34
COC(=O)C1=CC2(CCN(C(=O)CCC3=NN=N[N-]3)CC2)OC1	REAL300020218735	1	41	-1.0	-41.86	338.39	3.54	-38.32
CCOC(=O)C(C)(C)C1(O)CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300020218736	0	48	-1.0	-43.23	360.60	2.92	-40.31
CCOC(=O)C(C)(C)C1(O)CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020218736	1	48	-1.0	-43.21	360.65	2.93	-40.28
CC(C)(C)OC(=O)N1CCN2C(NC(=O)CCC3=N[N-]N=N3)=CN=C2C1	REAL300020218737	0	47	-1.0	-45.04	377.43	4.41	-40.63
CC(C)(C)OC(=O)N1CCN2C(NC(=O)CCC3=NN=N[N-]3)=CN=C2C1	REAL300020218737	1	47	-1.0	-45.02	377.49	4.42	-40.60
CC(C)(C)OC(=O)N[C@H]1C[C@](F)(CNC(=O)CCC2=N[N-]N=N2)C1	REAL300020218738	0	46	-1.0	-42.75	375.48	1.76	-40.99
CC(C)(C)OC(=O)N[C@H]1C[C@](F)(CNC(=O)CCC2=NN=N[N-]2)C1	REAL300020218738	1	46	-1.0	-42.74	375.54	1.78	-40.96
CCOC(=O)C(NC(=O)CCC1=N[N-]N=N1)C1=CC=NS1	REAL300020218739	0	34	-1.0	-41.52	318.05	2.41	-39.11
CCOC(=O)C(NC(=O)CCC1=NN=N[N-]1)C1=CC=NS1	REAL300020218739	1	34	-1.0	-41.53	318.10	2.43	-39.10
CC(C)(C)OC(=O)N1CCC(CNC(=O)CCC2=N[N-]N=N2)C1(C)C	REAL300020218740	0	52	-1.0	-43.16	399.61	3.90	-39.26
CC(C)(C)OC(=O)N1CCC(CNC(=O)CCC2=NN=N[N-]2)C1(C)C	REAL300020218740	1	52	-1.0	-43.17	399.67	3.91	-39.26
CC(C)(C)OC(=O)N1CCC(=CCNC(=O)CCC2=N[N-]N=N2)CC1	REAL300020218741	0	50	-1.0	-42.50	392.86	4.28	-38.22
CC(C)(C)OC(=O)N1CCC(=CCNC(=O)CCC2=NN=N[N-]2)CC1	REAL300020218741	1	50	-1.0	-42.52	392.91	4.29	-38.23
CC(C)(C)OC(=O)N1CCC[C@@]2(CNC(=O)CCC3=N[N-]N=N3)CCCC[C@H]12	REAL300020218742	0	59	-1.0	-45.26	422.23	5.95	-39.31
CC(C)(C)OC(=O)N1CCC[C@@]2(CNC(=O)CCC3=NN=N[N-]3)CCCC[C@H]12	REAL300020218742	1	59	-1.0	-45.23	422.28	5.97	-39.26
COCCCN(C(=O)CCC1=N[N-]N=N1)C1CCCCCC1	REAL300020218743	0	48	-1.0	-40.80	358.30	5.25	-35.55
COCCCN(C(=O)CCC1=NN=N[N-]1)C1CCCCCC1	REAL300020218743	1	48	-1.0	-40.80	358.36	5.26	-35.54
O=C(CCC1=N[N-]N=N1)N1CC(C2=NC(C(F)(F)F)=NO2)C1	REAL300020218744	0	31	-1.0	-41.30	297.19	0.85	-40.45
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O=C(CCC1=N[N-]N=N1)N1CC(OC2=CC=C(Br)C=C2)C1	REAL300020218746	0	34	-1.0	-39.70	315.83	4.39	-35.31
O=C(CCC1=NN=N[N-]1)N1CC(OC2=CC=C(Br)C=C2)C1	REAL300020218746	1	34	-1.0	-39.73	315.89	4.41	-35.32
CC(C)(C)OC(=O)N1CCCCC(CNC(=O)CCC2=N[N-]N=N2)C1	REAL300020218747	0	52	-1.0	-44.56	398.13	4.84	-39.72
CC(C)(C)OC(=O)N1CCCCC(CNC(=O)CCC2=NN=N[N-]2)C1	REAL300020218747	1	52	-1.0	-44.56	398.18	4.85	-39.71
CCC1=CSC(C2CCN(C(=O)CCC3=N[N-]N=N3)CC2)=N1	REAL300020218748	0	41	-1.0	-40.35	343.24	4.83	-35.52
CCC1=CSC(C2CCN(C(=O)CCC3=NN=N[N-]3)CC2)=N1	REAL300020218748	1	41	-1.0	-40.41	343.30	4.85	-35.56
CN1N=C([C@@H]2CCCN2C(=O)OC(C)(C)C)N=C1NC(=O)CCC1=N[N-]N=N1	REAL300020218749	0	52	-1.0	-53.11	422.27	6.30	-46.81
CN1N=C([C@@H]2CCCN2C(=O)OC(C)(C)C)N=C1NC(=O)CCC1=NN=N[N-]1	REAL300020218749	1	52	-1.0	-53.08	422.32	6.32	-46.76
CC(C)(C)OC(=O)C(CCC#N)NC(=O)CCC1=N[N-]N=N1	REAL300020218750	0	41	-1.0	-40.98	341.15	3.76	-37.22
CC(C)(C)OC(=O)C(CCC#N)NC(=O)CCC1=NN=N[N-]1	REAL300020218750	1	41	-1.0	-40.95	341.20	3.77	-37.18
CSC1=NSC(N2CCN(C(=O)CCC3=NN=N[N-]3)CC2)=N1	REAL300020218751	0	37	-1.0	-41.01	331.79	2.56	-38.45
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NC(=O)C1=CC=CC(NC(=O)CNC(=O)CCC2=N[N-]N=N2)=C1	REAL300020218752	0	37	-1.0	-54.46	325.02	-2.14	-56.60
NC(=O)C1=CC=CC(NC(=O)CNC(=O)CCC2=NN=N[N-]2)=C1	REAL300020218752	1	37	-1.0	-54.43	325.08	-2.12	-56.55
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O=C(CCC1=NN=N[N-]1)NCC1=CC(C(F)(F)F)=CS1	REAL300020218760	1	29	-1.0	-38.70	287.76	2.83	-35.87
CC1=CC=C(NNC(=O)CCC2=N[N-]N=N2)C=C1C(F)(F)F	REAL300020218761	0	34	-1.0	-38.75	302.79	3.72	-35.03
CC1=CC=C(NNC(=O)CCC2=NN=N[N-]2)C=C1C(F)(F)F	REAL300020218761	1	34	-1.0	-38.75	302.85	3.74	-35.01
O=C(CCC1=N[N-]N=N1)NNC1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1	REAL300020218762	0	34	-1.0	-37.73	326.19	4.22	-33.51
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CCOC(=O)C1CCN(C(=O)CCC2=N[N-]N=N2)C12CCOCC2	REAL300020218763	0	46	-1.0	-41.15	347.63	4.58	-36.57
CCOC(=O)C1CCN(C(=O)CCC2=NN=N[N-]2)C12CCOCC2	REAL300020218763	1	46	-1.0	-41.12	347.69	4.59	-36.53
CC1=CC(Br)=NC=C1CNC(=O)CCC1=N[N-]N=N1	REAL300020218764	0	31	-1.0	-39.49	291.48	2.18	-37.31
CC1=CC(Br)=NC=C1CNC(=O)CCC1=NN=N[N-]1	REAL300020218764	1	31	-1.0	-39.47	291.54	2.19	-37.28
CC1CC(CNC(=O)CCC2=N[N-]N=N2)CCS1(=O)=O	REAL300020218765	0	38	-1.0	-47.45	311.91	-0.33	-47.78
CC1CC(CNC(=O)CCC2=NN=N[N-]2)CCS1(=O)=O	REAL300020218765	1	38	-1.0	-47.44	311.94	-0.31	-47.75
C[C@@H]1C[C@@H](CNC(=O)CCC2=N[N-]N=N2)CCS1(=O)=O	REAL300020218766	0	38	-1.0	-47.42	311.87	-0.33	-47.75
C[C@@H]1C[C@@H](CNC(=O)CCC2=NN=N[N-]2)CCS1(=O)=O	REAL300020218766	1	38	-1.0	-47.41	311.93	-0.31	-47.72
O=C(CCC1=N[N-]N=N1)N1CCC(CCC(F)(F)F)CC1	REAL300020218767	0	38	-1.0	-41.32	314.02	5.25	-36.07
O=C(CCC1=NN=N[N-]1)N1CCC(CCC(F)(F)F)CC1	REAL300020218767	1	38	-1.0	-41.35	314.08	5.26	-36.09
CC(C)(C)OC(=O)N1CCOCC12COCCN(C(=O)CCC1=N[N-]N=N1)C2	REAL300020218768	0	55	-1.0	-46.27	388.59	3.36	-42.91
CC(C)(C)OC(=O)N1CCOCC12COCCN(C(=O)CCC1=NN=N[N-]1)C2	REAL300020218768	1	55	-1.0	-46.30	388.65	3.37	-42.93
O=C(CCC1=N[N-]N=N1)N1CCCC1C1=CC(Cl)=CC=C1F	REAL300020218769	0	36	-1.0	-41.09	318.97	6.70	-34.39
O=C(CCC1=NN=N[N-]1)N1CCCC1C1=CC(Cl)=CC=C1F	REAL300020218769	1	36	-1.0	-41.12	319.03	6.71	-34.41
CC1=CC2=C(C=C1NC(=O)CCC1=N[N-]N=N1)C(C)=CC(=O)N2	REAL300020218770	0	38	-1.0	-43.04	318.91	3.04	-40.00
CC1=CC2=C(C=C1NC(=O)CCC1=NN=N[N-]1)C(C)=CC(=O)N2	REAL300020218770	1	38	-1.0	-43.06	318.96	3.06	-40.00
O=C(CCC1=N[N-]N=N1)NC1=CC=CC(P2(=O)CCCC2)=C1	REAL300020218771	0	39	-1.0	-48.02	334.49	3.59	-44.43
O=C(CCC1=NN=N[N-]1)NC1=CC=CC(P2(=O)CCCC2)=C1	REAL300020218771	1	39	-1.0	-48.00	334.55	3.60	-44.40
CCN(C(=O)CCC1=N[N-]N=N1)[C@@H](C)CC1=CC=C(F)C=C1F	REAL300020218772	0	41	-1.0	-43.84	329.60	7.36	-36.48
CCN(C(=O)CCC1=NN=N[N-]1)[C@@H](C)CC1=CC=C(F)C=C1F	REAL300020218772	1	41	-1.0	-43.82	329.65	7.37	-36.45
CC1=CC(C(=O)N(NC(=O)CCC2=N[N-]N=N2)C(C)(C)C)=CC(C)=C1	REAL300020218773	0	48	-1.0	-39.87	378.34	6.43	-33.44
CC1=CC(C(=O)N(NC(=O)CCC2=NN=N[N-]2)C(C)(C)C)=CC(C)=C1	REAL300020218773	1	48	-1.0	-39.89	378.40	6.44	-33.45
COC(=O)CNC(=O)[C@@H]1CCCN1C(=O)CCC1=N[N-]N=N1	REAL300020218774	0	39	-1.0	-48.74	332.12	2.22	-46.52
COC(=O)CNC(=O)[C@@H]1CCCN1C(=O)CCC1=NN=N[N-]1	REAL300020218774	1	39	-1.0	-48.76	332.18	2.23	-46.53
CC(C)(C)OC(=O)NC1COC2(C1)CCN(C(=O)CCC1=N[N-]N=N1)CC2	REAL300020218775	0	54	-1.0	-43.46	415.33	2.88	-40.58
CC(C)(C)OC(=O)NC1COC2(C1)CCN(C(=O)CCC1=NN=N[N-]1)CC2	REAL300020218775	1	54	-1.0	-43.46	415.39	2.89	-40.57
CC(C)(C)OC(=O)N1CC2(CNC(=O)CCC3=N[N-]N=N3)CCC1CC2	REAL300020218776	0	53	-1.0	-42.27	402.10	4.78	-37.49
CC(C)(C)OC(=O)N1CC2(CNC(=O)CCC3=NN=N[N-]3)CCC1CC2	REAL300020218776	1	53	-1.0	-42.31	402.16	4.80	-37.51
O=C(CCC1=N[N-]N=N1)NC1CCCC2=C1C=NN2C1CCCC1	REAL300020218777	0	46	-1.0	-47.28	362.42	4.97	-42.31
O=C(CCC1=NN=N[N-]1)NC1CCCC2=C1C=NN2C1CCCC1	REAL300020218777	1	46	-1.0	-47.32	362.47	4.98	-42.34
CC(C)(C)OC(=O)NC12CCC(CNC(=O)CCC3=N[N-]N=N3)(C1)OC2	REAL300020218778	0	51	-1.0	-43.18	401.91	0.51	-42.67
CC(C)(C)OC(=O)NC12CCC(CNC(=O)CCC3=NN=N[N-]3)(C1)OC2	REAL300020218778	1	51	-1.0	-43.19	401.97	0.53	-42.66
CCCN(C(=O)CCC1=N[N-]N=N1)C(C)C1=CC=CC=C1Br	REAL300020218779	0	41	-1.0	-40.23	339.34	7.30	-32.93
CCCN(C(=O)CCC1=NN=N[N-]1)C(C)C1=CC=CC=C1Br	REAL300020218779	1	41	-1.0	-40.21	339.40	7.31	-32.90
COC1=CC(CCNC(=O)CCC2=N[N-]N=N2)=CC(OC)=C1O	REAL300020218780	0	41	-1.0	-45.57	348.56	0.47	-45.10
COC1=CC(CCNC(=O)CCC2=NN=N[N-]2)=CC(OC)=C1O	REAL300020218780	1	41	-1.0	-45.54	348.62	0.49	-45.05
CC(C)(C)CCC1=NC=C2CN(C(=O)CCC3=N[N-]N=N3)CCC2=N1	REAL300020218781	0	49	-1.0	-40.74	383.81	6.00	-34.74
CC(C)(C)CCC1=NC=C2CN(C(=O)CCC3=NN=N[N-]3)CCC2=N1	REAL300020218781	1	49	-1.0	-40.77	383.87	6.02	-34.75
NC(=O)C1CCC2(CC(NC(=O)CCC3=N[N-]N=N3)C2)CC1	REAL300020218782	0	43	-1.0	-47.87	339.88	0.68	-47.19
NC(=O)C1CCC2(CC(NC(=O)CCC3=NN=N[N-]3)C2)CC1	REAL300020218782	1	43	-1.0	-47.85	339.94	0.69	-47.16
COC1=CC=C2C(CC(C)(C)NC(=O)CCC3=N[N-]N=N3)=CNC2=C1	REAL300020218783	0	46	-1.0	-43.58	362.85	3.55	-40.03
COC1=CC=C2C(CC(C)(C)NC(=O)CCC3=NN=N[N-]3)=CNC2=C1	REAL300020218783	1	46	-1.0	-43.56	362.91	3.57	-39.99
CC1=C(CNC(=O)CCC2=N[N-]N=N2)OC2=CC=C(Cl)C=C21	REAL300020218784	0	35	-1.0	-39.52	322.59	4.35	-35.17
CC1=C(CNC(=O)CCC2=NN=N[N-]2)OC2=CC=C(Cl)C=C21	REAL300020218784	1	35	-1.0	-39.52	322.65	4.36	-35.16
O=C(CCC1=N[N-]N=N1)NCCCN1C=CC2=CC=CC=C2C1=O	REAL300020218785	0	41	-1.0	-48.74	350.74	4.82	-43.92
O=C(CCC1=NN=N[N-]1)NCCCN1C=CC2=CC=CC=C2C1=O	REAL300020218785	1	41	-1.0	-48.74	350.80	4.84	-43.90
CC(C)(C)OC(=O)COCCOCCNC(=O)CCC1=N[N-]N=N1	REAL300020218786	0	48	-1.0	-47.90	398.03	2.65	-45.25
CC(C)(C)OC(=O)COCCOCCNC(=O)CCC1=NN=N[N-]1	REAL300020218786	1	48	-1.0	-47.90	398.09	2.66	-45.24
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CC(C)(C)OC(=O)NCC(CNC(=O)CCC1=NN=N[N-]1)C(F)(F)F	REAL300020218795	1	45	-1.0	-43.24	374.78	1.90	-41.34
CC(C)(C)OC(=O)NC1CC(O)(CNC(=O)CCC2=N[N-]N=N2)C1	REAL300020218796	0	47	-1.0	-43.04	378.52	-1.17	-44.21
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CC1CC(CNC(=O)CCC2=N[N-]N=N2)CN1C(=O)OC(C)(C)C	REAL300020218805	0	49	-1.0	-43.07	387.53	3.50	-39.57
CC1CC(CNC(=O)CCC2=NN=N[N-]2)CN1C(=O)OC(C)(C)C	REAL300020218805	1	49	-1.0	-43.08	387.59	3.52	-39.56
CC(C)(C)OC(=O)N1CC(F)(F)CC1CNC(=O)CCC1=N[N-]N=N1	REAL300020218806	0	46	-1.0	-44.81	378.70	3.11	-41.70
CC(C)(C)OC(=O)N1CC(F)(F)CC1CNC(=O)CCC1=NN=N[N-]1	REAL300020218806	1	46	-1.0	-44.80	378.75	3.12	-41.68
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O=C(CCC1=N[N-]N=N1)NCC1(C2=CC=CC=C2F)CCCC1	REAL300020218809	0	42	-1.0	-38.06	332.19	6.22	-31.84
O=C(CCC1=NN=N[N-]1)NCC1(C2=CC=CC=C2F)CCCC1	REAL300020218809	1	42	-1.0	-38.05	332.25	6.24	-31.81
O=C(CCC1=NN=N[N-]1)NCC1=NOC(C2=CC=C(F)C=C2)=C1	REAL300020218810	0	35	-1.0	-41.18	319.01	3.85	-37.33
O=C(CCC1=N[N-]N=N1)NCC1=NOC(C2=CC=C(F)C=C2)=C1	REAL300020218810	1	35	-1.0	-41.17	318.95	3.84	-37.33
CC(C)(C)OC(=O)N1CCC(CNC(=O)CCC2=N[N-]N=N2)C(F)(F)CC1	REAL300020218811	0	52	-1.0	-48.99	404.10	5.28	-43.71
CC(C)(C)OC(=O)N1CCC(CNC(=O)CCC2=NN=N[N-]2)C(F)(F)CC1	REAL300020218811	1	52	-1.0	-48.96	404.16	5.29	-43.67
CC(C)(C)OC(=O)NCC=CCNC(=O)CCC1=N[N-]N=N1	REAL300020218812	0	43	-1.0	-42.54	358.26	0.89	-41.65
CC(C)(C)OC(=O)NCC=CCNC(=O)CCC1=NN=N[N-]1	REAL300020218812	1	43	-1.0	-42.57	358.32	0.90	-41.67
O=C(CCC1=N[N-]N=N1)NC1=CC(Cl)=CC=C1NC1=CC=CC=C1	REAL300020218813	0	38	-1.0	-40.65	340.63	5.75	-34.90
O=C(CCC1=NN=N[N-]1)NC1=CC(Cl)=CC=C1NC1=CC=CC=C1	REAL300020218813	1	38	-1.0	-40.66	340.69	5.77	-34.89
CCOC(=O)C1=CSC(C(C)NC(=O)CCC2=N[N-]N=N2)=N1	REAL300020218814	0	37	-1.0	-43.09	339.52	2.07	-41.02
CCOC(=O)C1=CSC(C(C)NC(=O)CCC2=NN=N[N-]2)=N1	REAL300020218814	1	37	-1.0	-43.11	339.57	2.09	-41.02
CN(C(=O)CCC1=NN=N[N-]1)C1=CC=C(OC(F)(F)C(F)(F)F)C=N1	REAL300020218815	0	35	-1.0	-45.47	322.24	4.62	-40.85
CN(C(=O)CCC1=N[N-]N=N1)C1=CC=C(OC(F)(F)C(F)(F)F)C=N1	REAL300020218815	1	35	-1.0	-45.49	322.18	4.60	-40.89
COC1=CC=C2C(=C1Br)CCCN2C(=O)CCC1=N[N-]N=N1	REAL300020218816	0	37	-1.0	-39.28	314.88	5.01	-34.27
COC1=CC=C2C(=C1Br)CCCN2C(=O)CCC1=NN=N[N-]1	REAL300020218816	1	37	-1.0	-39.28	314.94	5.03	-34.25
CCCC(CCCNC(=O)CCC1=N[N-]N=N1)NC(=O)OC(C)(C)C	REAL300020218817	0	54	-1.0	-42.43	422.27	3.39	-39.04
CCCC(CCCNC(=O)CCC1=NN=N[N-]1)NC(=O)OC(C)(C)C	REAL300020218817	1	54	-1.0	-42.41	422.33	3.41	-39.00
CC(C)(C)OC(=O)NCC1CN(C(=O)CCC2=N[N-]N=N2)C2(C1)CCOCC2	REAL300020218818	0	57	-1.0	-42.66	422.15	3.54	-39.12
CC(C)(C)OC(=O)NCC1CN(C(=O)CCC2=NN=N[N-]2)C2(C1)CCOCC2	REAL300020218818	1	57	-1.0	-42.70	422.20	3.55	-39.15
O=C(CCC1=N[N-]N=N1)N1CCCC1C1=C(Cl)C=CC=C1Cl	REAL300020218819	0	36	-1.0	-41.22	317.24	6.96	-34.26
O=C(CCC1=NN=N[N-]1)N1CCCC1C1=C(Cl)C=CC=C1Cl	REAL300020218819	1	36	-1.0	-41.24	317.30	6.98	-34.26
COC1=CC(CCNC(=O)CCC2=N[N-]N=N2)=CC(OC)=C1OCC1CC1	REAL300020218820	0	51	-1.0	-45.66	424.53	5.11	-40.55
COC1=CC(CCNC(=O)CCC2=NN=N[N-]2)=CC(OC)=C1OCC1CC1	REAL300020218820	1	51	-1.0	-45.69	424.58	5.12	-40.57
O=C(CCC1=N[N-]N=N1)NCC1(C2=CC=CC(F)=C2)CCOCC1	REAL300020218821	0	43	-1.0	-40.26	341.58	3.81	-36.45
O=C(CCC1=NN=N[N-]1)NCC1(C2=CC=CC(F)=C2)CCOCC1	REAL300020218821	1	43	-1.0	-40.22	341.64	3.83	-36.39
O=C(CCC1=NN=N[N-]1)NCC1=NOC(C2=CC=CC(Cl)=C2)=C1	REAL300020218822	0	35	-1.0	-40.93	329.34	4.29	-36.64
O=C(CCC1=N[N-]N=N1)NCC1=NOC(C2=CC=CC(Cl)=C2)=C1	REAL300020218822	1	35	-1.0	-40.90	329.28	4.28	-36.62
CC(C)(C)OC(=O)NC1(CCNC(=O)CCC2=N[N-]N=N2)CCC1	REAL300020218823	0	49	-1.0	-43.21	388.09	2.52	-40.69
CC(C)(C)OC(=O)NC1(CCNC(=O)CCC2=NN=N[N-]2)CCC1	REAL300020218823	1	49	-1.0	-43.23	388.15	2.53	-40.70
COC1=CC(OC(C)C)=CC=C1NC(=O)CCC1=N[N-]N=N1	REAL300020218824	0	40	-1.0	-40.49	330.37	2.87	-37.62
COC1=CC(OC(C)C)=CC=C1NC(=O)CCC1=NN=N[N-]1	REAL300020218824	1	40	-1.0	-40.48	330.42	2.89	-37.59
NC(=O)CNC(=O)C1=NNC=C1NC(=O)CCC1=N[N-]N=N1	REAL300020218825	0	34	-1.0	-44.79	304.76	-5.53	-50.32
NC(=O)CNC(=O)C1=NNC=C1NC(=O)CCC1=NN=N[N-]1	REAL300020218825	1	34	-1.0	-44.81	304.82	-5.52	-50.33
NC(=O)CNC(=O)C1=C(NC(=O)CCC2=NN=N[N-]2)C=NN1	REAL300020218825	1	34	-1.0	-44.83	303.69	-5.50	-50.33
NC(=O)CNC(=O)C1=C(NC(=O)CCC2=N[N-]N=N2)C=NN1	REAL300020218825	1	34	-1.0	-44.85	303.63	-5.51	-50.36
CCN(C(=O)CCC1=N[N-]N=N1)C(C)C1=CC=C(Cl)C=N1	REAL300020218826	0	37	-1.0	-44.57	318.82	5.58	-38.99
CCN(C(=O)CCC1=NN=N[N-]1)C(C)C1=CC=C(Cl)C=N1	REAL300020218826	1	37	-1.0	-44.56	318.88	5.59	-38.97
O=C(CCC1=N[N-]N=N1)NC1(C2=CC=C(F)C(Br)=C2)CC1	REAL300020218827	0	33	-1.0	-39.96	307.72	4.59	-35.37
O=C(CCC1=NN=N[N-]1)NC1(C2=CC=C(F)C(Br)=C2)CC1	REAL300020218827	1	33	-1.0	-39.96	307.78	4.60	-35.36
O=C(CCC1=N[N-]N=N1)N1CCC2=CC=C(Br)C=C2CC1	REAL300020218828	0	36	-1.0	-38.30	309.83	6.22	-32.08
O=C(CCC1=NN=N[N-]1)N1CCC2=CC=C(Br)C=C2CC1	REAL300020218828	1	36	-1.0	-38.30	309.89	6.23	-32.07
COC(=O)C[C@@H](NC(=O)CCC1=N[N-]N=N1)C1=CC=CC(Cl)=C1	REAL300020218829	0	38	-1.0	-42.60	341.11	4.56	-38.04
COC(=O)C[C@@H](NC(=O)CCC1=NN=N[N-]1)C1=CC=CC(Cl)=C1	REAL300020218829	1	38	-1.0	-42.58	341.16	4.58	-38.00
COC(=O)C[C@H](NC(=O)CCC1=N[N-]N=N1)C1=CC=CC(Cl)=C1	REAL300020218830	0	38	-1.0	-45.27	347.98	5.33	-39.94
COC(=O)C[C@H](NC(=O)CCC1=NN=N[N-]1)C1=CC=CC(Cl)=C1	REAL300020218830	1	38	-1.0	-45.28	348.03	5.35	-39.93
CCCC(=O)NC1=CC=CC=C1NC(=O)CCC1=N[N-]N=N1	REAL300020218831	0	39	-1.0	-41.76	326.89	3.37	-38.39
CCCC(=O)NC1=CC=CC=C1NC(=O)CCC1=NN=N[N-]1	REAL300020218831	1	39	-1.0	-41.74	326.94	3.38	-38.36
O=C(CCC1=N[N-]N=N1)NCCC1=CC(C(F)(F)F)=CO1	REAL300020218832	0	32	-1.0	-41.97	300.66	2.65	-39.32
O=C(CCC1=NN=N[N-]1)NCCC1=CC(C(F)(F)F)=CO1	REAL300020218832	1	32	-1.0	-41.95	300.72	2.66	-39.29
O=C(CCC1=N[N-]N=N1)NCC1=C(C2=CC=CC=C2)C2=CC(F)=CC=C2O1	REAL300020218833	0	42	-1.0	-40.34	371.67	6.89	-33.45
O=C(CCC1=NN=N[N-]1)NCC1=C(C2=CC=CC=C2)C2=CC(F)=CC=C2O1	REAL300020218833	1	42	-1.0	-40.39	371.73	6.90	-33.49
O=C(CCC1=N[N-]N=N1)NC[C@H](O)C1=CC=C(F)C(Br)=C1	REAL300020218834	0	33	-1.0	-41.74	313.55	1.05	-40.69
O=C(CCC1=NN=N[N-]1)NC[C@H](O)C1=CC=C(F)C(Br)=C1	REAL300020218834	1	33	-1.0	-41.76	313.61	1.06	-40.70
O=C(CCC1=N[N-]N=N1)NCC(O)C1=CSC2=CC=CC=C12	REAL300020218835	0	36	-1.0	-41.76	323.58	1.67	-40.09
O=C(CCC1=NN=N[N-]1)NCC(O)C1=CSC2=CC=CC=C12	REAL300020218835	1	36	-1.0	-41.79	323.64	1.68	-40.11
CC(C)(C)OC(=O)NCC1CC(CNC(=O)CCC2=N[N-]N=N2)CO1	REAL300020218836	0	50	-1.0	-44.91	401.02	0.50	-44.41
CC(C)(C)OC(=O)NCC1CC(CNC(=O)CCC2=NN=N[N-]2)CO1	REAL300020218836	1	50	-1.0	-44.92	401.08	0.51	-44.41
CN1N=C([C@H]2CCCN2C(=O)OC(C)(C)C)N=C1NC(=O)CCC1=N[N-]N=N1	REAL300020218837	0	52	-1.0	-53.21	422.25	6.30	-46.91
CN1N=C([C@H]2CCCN2C(=O)OC(C)(C)C)N=C1NC(=O)CCC1=NN=N[N-]1	REAL300020218837	1	52	-1.0	-53.19	422.30	6.32	-46.87
O=C(CCC1=N[N-]N=N1)NC1CC2(C1)CC(OCC1=CC=CC=C1)C2	REAL300020218838	0	47	-1.0	-41.89	388.63	5.96	-35.93
O=C(CCC1=NN=N[N-]1)NC1CC2(C1)CC(OCC1=CC=CC=C1)C2	REAL300020218838	1	47	-1.0	-41.89	388.69	5.98	-35.91
COC(=O)C(CCCCNC(=O)CCC1=N[N-]N=N1)CC(F)(F)F	REAL300020218839	0	43	-1.0	-43.50	368.10	4.28	-39.22
COC(=O)C(CCCCNC(=O)CCC1=NN=N[N-]1)CC(F)(F)F	REAL300020218839	1	43	-1.0	-43.47	368.16	4.29	-39.18
COC(=O)C1=CC=C(CNC(=O)CCC2=N[N-]N=N2)C=C1C	REAL300020218840	0	38	-1.0	-41.13	328.43	3.89	-37.24
COC(=O)C1=CC=C(CNC(=O)CCC2=NN=N[N-]2)C=C1C	REAL300020218840	1	38	-1.0	-41.17	328.48	3.91	-37.26
COC(=O)CC1CCC(C)(C)CN1C(=O)CCC1=N[N-]N=N1	REAL300020218841	0	44	-1.0	-43.03	336.68	6.20	-36.83
COC(=O)CC1CCC(C)(C)CN1C(=O)CCC1=NN=N[N-]1	REAL300020218841	1	44	-1.0	-43.01	336.74	6.22	-36.79
CN1C=CN=C1[C@@H]1CN(C(=O)CCC2=N[N-]N=N2)C[C@H]1NC(=O)OC(C)(C)C	REAL300020218842	0	53	-1.0	-46.71	425.33	3.67	-43.04
CN1C=CN=C1[C@@H]1CN(C(=O)CCC2=NN=N[N-]2)C[C@H]1NC(=O)OC(C)(C)C	REAL300020218842	1	53	-1.0	-46.71	425.39	3.69	-43.02
CCOC(=O)C(NC(=O)CCC1=N[N-]N=N1)C1CCCCO1	REAL300020218843	0	42	-1.0	-44.12	342.99	2.80	-41.32
CCOC(=O)C(NC(=O)CCC1=NN=N[N-]1)C1CCCCO1	REAL300020218843	1	42	-1.0	-44.17	343.05	2.81	-41.36
COC(=O)C(NC(=O)CCC1=N[N-]N=N1)C1=CC=CC(Br)=C1	REAL300020218844	0	35	-1.0	-42.61	330.54	4.36	-38.25
COC(=O)C(NC(=O)CCC1=NN=N[N-]1)C1=CC=CC(Br)=C1	REAL300020218844	1	35	-1.0	-42.59	330.60	4.38	-38.21
CC(C)(C)OC(=O)N1CCC[C@H]1CNC(=O)CCC1=N[N-]N=N1	REAL300020218845	0	46	-1.0	-45.16	361.33	3.71	-41.45
CC(C)(C)OC(=O)N1CCC[C@H]1CNC(=O)CCC1=NN=N[N-]1	REAL300020218845	1	46	-1.0	-45.14	361.39	3.72	-41.42
O=C(CCC1=N[N-]N=N1)NCCC1=CC(Cl)=CC=C1Cl	REAL300020218846	0	32	-1.0	-40.13	309.57	4.39	-35.74
O=C(CCC1=NN=N[N-]1)NCCC1=CC(Cl)=CC=C1Cl	REAL300020218846	1	32	-1.0	-40.12	309.62	4.41	-35.71
CCOC(=O)[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)CCC1=N[N-]N=N1	REAL300020218847	0	42	-1.0	-43.36	330.16	4.99	-38.37
CCOC(=O)[C@@H]1C[C@H]2C[C@@H]1C[C@H]2NC(=O)CCC1=NN=N[N-]1	REAL300020218847	1	42	-1.0	-43.37	330.23	5.00	-38.37
CCCC1=NC=CN1C1CCCN(C(=O)CCC2=N[N-]N=N2)C1	REAL300020218848	0	45	-1.0	-41.95	357.49	6.31	-35.64
CCCC1=NC=CN1C1CCCN(C(=O)CCC2=NN=N[N-]2)C1	REAL300020218848	1	45	-1.0	-41.95	357.55	6.32	-35.63
CCCC1=[NH+]C=CN1C1CCCN(C(=O)CCC2=N[N-]N=N2)C1	REAL300020218848	1	46	0.0	-54.65	360.66	6.76	-47.89
CCCC1=[NH+]C=CN1C1CCCN(C(=O)CCC2=NN=N[N-]2)C1	REAL300020218848	1	46	0.0	-54.62	360.72	6.77	-47.85
CC1=C(CCNC(=O)CCC2=N[N-]N=N2)C(C(F)(F)F)=CO1	REAL300020218849	0	35	-1.0	-42.45	318.22	3.17	-39.28
CC1=C(CCNC(=O)CCC2=NN=N[N-]2)C(C(F)(F)F)=CO1	REAL300020218849	1	35	-1.0	-42.49	318.27	3.18	-39.31
CC(C)(C)OC(=O)N1CC(F)(F)CC1(C)CNC(=O)CCC1=N[N-]N=N1	REAL300020218850	0	49	-1.0	-43.32	392.22	4.24	-39.08
CC(C)(C)OC(=O)N1CC(F)(F)CC1(C)CNC(=O)CCC1=NN=N[N-]1	REAL300020218850	1	49	-1.0	-43.35	392.27	4.26	-39.09
O=C(CCC1=NN=N[N-]1)NC1=CN(C2CCS(=O)(=O)C2)N=C1	REAL300020218851	0	36	-1.0	-52.64	316.75	-1.05	-53.69
O=C(CCC1=N[N-]N=N1)NC1=CN(C2CCS(=O)(=O)C2)N=C1	REAL300020218851	1	36	-1.0	-52.65	316.69	-1.06	-53.71
O=C(CCC1=N[N-]N=N1)N1CCCC(CCC(F)(F)F)C1	REAL300020218852	0	38	-1.0	-39.61	314.38	5.23	-34.38
O=C(CCC1=NN=N[N-]1)N1CCCC(CCC(F)(F)F)C1	REAL300020218852	1	38	-1.0	-39.61	314.43	5.25	-34.36
O=C(CCC1=N[N-]N=N1)N1CCOC(C2=NOC(C3CCCC3)=N2)C1	REAL300020218853	0	45	-1.0	-42.24	364.69	2.14	-40.10
O=C(CCC1=NN=N[N-]1)N1CCOC(C2=NOC(C3CCCC3)=N2)C1	REAL300020218853	1	45	-1.0	-42.23	364.75	2.15	-40.08
O=C(CCC1=N[N-]N=N1)NCCCNS(=O)(=O)C1CC1	REAL300020218854	0	37	-1.0	-46.74	328.63	-1.63	-48.37
O=C(CCC1=NN=N[N-]1)NCCCNS(=O)(=O)C1CC1	REAL300020218854	1	37	-1.0	-46.76	328.68	-1.62	-48.38
O=C(CCC1=N[N-]N=N1)NNC(=O)C1=CN=CC(Br)=C1	REAL300020218855	0	29	-1.0	-39.45	286.71	0.26	-39.19
O=C(CCC1=NN=N[N-]1)NNC(=O)C1=CN=CC(Br)=C1	REAL300020218855	1	29	-1.0	-39.50	286.77	0.28	-39.22
O=C(CCC1=N[N-]N=N1)NNC1=NC=C(Cl)C=C1C(F)(F)F	REAL300020218856	0	30	-1.0	-38.55	296.91	3.07	-35.48
O=C(CCC1=NN=N[N-]1)NNC1=NC=C(Cl)C=C1C(F)(F)F	REAL300020218856	1	30	-1.0	-38.53	296.96	3.09	-35.44
CC(C)(NC(=O)CCC1=N[N-]N=N1)C1=NC(C2=CC=CS2)=NN1	REAL300020218857	0	38	-1.0	-41.74	336.73	2.91	-38.83
CC(C)(NC(=O)CCC1=NN=N[N-]1)C1=NC(C2=CC=CS2)=NN1	REAL300020218857	1	38	-1.0	-41.77	336.79	2.93	-38.84
COC1=NSC(OC)=C1C(C)NC(=O)CCC1=NN=N[N-]1	REAL300020218858	0	36	-1.0	-41.57	322.31	-0.89	-42.46
COC1=NSC(OC)=C1C(C)NC(=O)CCC1=N[N-]N=N1	REAL300020218858	1	36	-1.0	-41.60	322.25	-0.92	-42.52
O=C(CCC1=N[N-]N=N1)N1CC(OC2=CC=CC(Cl)=C2)C1	REAL300020218859	0	34	-1.0	-40.58	311.24	4.36	-36.22
O=C(CCC1=NN=N[N-]1)N1CC(OC2=CC=CC(Cl)=C2)C1	REAL300020218859	1	34	-1.0	-40.59	311.30	4.38	-36.21
CCC1=C(NC(=O)CCC2=N[N-]N=N2)C(=O)N(C2=CC=CC=C2)N1C	REAL300020218860	0	43	-1.0	-60.37	365.19	5.06	-55.31
CCC1=C(NC(=O)CCC2=NN=N[N-]2)C(=O)N(C2=CC=CC=C2)N1C	REAL300020218860	1	43	-1.0	-60.40	365.25	5.08	-55.32
CC(C)OC1=CC(NC(=O)CCC2=N[N-]N=N2)=CC(C(F)(F)F)=C1	REAL300020218861	0	39	-1.0	-40.17	340.04	4.43	-35.74
CC(C)OC1=CC(NC(=O)CCC2=NN=N[N-]2)=CC(C(F)(F)F)=C1	REAL300020218861	1	39	-1.0	-40.17	340.09	4.44	-35.73
O=C(CCC1=N[N-]N=N1)NC1(CC2=CC=CC(Cl)=C2)CCOC1	REAL300020218862	0	40	-1.0	-43.63	338.25	3.91	-39.72
O=C(CCC1=NN=N[N-]1)NC1(CC2=CC=CC(Cl)=C2)CCOC1	REAL300020218862	1	40	-1.0	-43.62	338.31	3.92	-39.70
COC(=O)C1(NC(=O)CCC2=N[N-]N=N2)CC2=CC=CC=C2C1	REAL300020218863	0	39	-1.0	-42.03	326.91	5.27	-36.76
COC(=O)C1(NC(=O)CCC2=NN=N[N-]2)CC2=CC=CC=C2C1	REAL300020218863	1	39	-1.0	-42.00	326.96	5.29	-36.71
O=C(CCC1=N[N-]N=N1)N1CCN(C(=O)CC2=CC=CC(F)=C2)CC1	REAL300020218864	0	43	-1.0	-45.46	357.45	5.56	-39.90
O=C(CCC1=NN=N[N-]1)N1CCN(C(=O)CC2=CC=CC(F)=C2)CC1	REAL300020218864	1	43	-1.0	-45.50	357.51	5.58	-39.92
CC(C)C1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1C(F)(F)F	REAL300020218865	0	38	-1.0	-42.16	324.53	5.31	-36.85
CC(C)C1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1C(F)(F)F	REAL300020218865	1	38	-1.0	-42.15	324.58	5.33	-36.82
CC1=CC(NC(=O)CCC2=N[N-]N=N2)=C(Cl)C=C1C1CC1	REAL300020218866	0	36	-1.0	-38.34	311.98	5.82	-32.52
CC1=CC(NC(=O)CCC2=NN=N[N-]2)=C(Cl)C=C1C1CC1	REAL300020218866	1	36	-1.0	-38.32	312.04	5.83	-32.49
CC1=C(Br)C=C2N=C(NC(=O)CCC3=N[N-]N=N3)NC2=C1	REAL300020218867	0	32	-1.0	-37.78	296.61	5.19	-32.59
CC1=C(Br)C=C2N=C(NC(=O)CCC3=NN=N[N-]3)NC2=C1	REAL300020218867	1	32	-1.0	-37.80	296.67	5.21	-32.59
CC1=C(Br)C=C2NC(NC(=O)CCC3=N[N-]N=N3)=NC2=C1	REAL300020218867	1	32	-1.0	-37.67	296.63	5.19	-32.48
CC1=C(Br)C=C2NC(NC(=O)CCC3=NN=N[N-]3)=NC2=C1	REAL300020218867	1	32	-1.0	-37.67	296.69	5.21	-32.46
CC1=CC=C2C(CC(C)(C)NC(=O)CCC3=N[N-]N=N3)=CNC2=C1	REAL300020218868	0	45	-1.0	-42.70	354.83	4.92	-37.78
CC1=CC=C2C(CC(C)(C)NC(=O)CCC3=NN=N[N-]3)=CNC2=C1	REAL300020218868	1	45	-1.0	-42.71	354.88	4.94	-37.77
CC(C)C1=CC=C2OCCN(C(=O)CCC3=N[N-]N=N3)C2=C1	REAL300020218869	0	40	-1.0	-40.85	319.99	5.37	-35.48
CC(C)C1=CC=C2OCCN(C(=O)CCC3=NN=N[N-]3)C2=C1	REAL300020218869	1	40	-1.0	-40.87	320.05	5.38	-35.49
CC1(C)C[N@H+](CC2=CC=CC=C2)CCN1C(=O)CCC1=N[N-]N=N1	REAL300020218870	0	48	0.0	-63.11	361.05	7.52	-55.59
CC1(C)C[N@@H+](CC2=CC=CC=C2)CCN1C(=O)CCC1=N[N-]N=N1	REAL300020218870	1	48	0.0	-63.08	361.06	7.53	-55.55
CC1(C)C[N@H+](CC2=CC=CC=C2)CCN1C(=O)CCC1=NN=N[N-]1	REAL300020218870	1	48	0.0	-63.15	361.11	7.54	-55.61
CC1(C)C[N@@H+](CC2=CC=CC=C2)CCN1C(=O)CCC1=NN=N[N-]1	REAL300020218870	1	48	0.0	-63.04	361.12	7.55	-55.49
CC1(C)CN(CC2=CC=CC=C2)CCN1C(=O)CCC1=N[N-]N=N1	REAL300020218870	1	47	-1.0	-39.01	361.10	5.55	-33.46
CC1(C)CN(CC2=CC=CC=C2)CCN1C(=O)CCC1=NN=N[N-]1	REAL300020218870	1	47	-1.0	-38.99	361.16	5.57	-33.42
O=C(CCC1=N[N-]N=N1)N1CCCC(C2=NOC(C(F)(F)F)=N2)C1	REAL300020218871	0	37	-1.0	-39.45	327.30	2.10	-37.35
O=C(CCC1=NN=N[N-]1)N1CCCC(C2=NOC(C(F)(F)F)=N2)C1	REAL300020218871	1	37	-1.0	-39.45	327.36	2.12	-37.33
CN1N=CC=C1C1CN(C(=O)CCC2=N[N-]N=N2)CCN1CC1=CC=CC=C1	REAL300020218872	0	51	-1.0	-40.54	405.11	4.98	-35.56
CN1N=CC=C1C1CN(C(=O)CCC2=NN=N[N-]2)CCN1CC1=CC=CC=C1	REAL300020218872	1	51	-1.0	-40.50	405.17	5.00	-35.50
CC(C)(C)OC(=O)N1CCC[C@@H]1CNC(=O)CCC1=N[N-]N=N1	REAL300020218873	0	46	-1.0	-44.43	361.93	3.57	-40.86
CC(C)(C)OC(=O)N1CCC[C@@H]1CNC(=O)CCC1=NN=N[N-]1	REAL300020218873	1	46	-1.0	-44.41	361.98	3.59	-40.82
CC(C)(C)OC(=O)NC1CC(C)(CNC(=O)CCC2=N[N-]N=N2)C1	REAL300020218874	0	49	-1.0	-42.60	387.77	2.13	-40.47
CC(C)(C)OC(=O)NC1CC(C)(CNC(=O)CCC2=NN=N[N-]2)C1	REAL300020218874	1	49	-1.0	-42.61	387.82	2.15	-40.46
CC(C)(C)OC(=O)NCCN1CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300020218875	0	51	-1.0	-43.38	396.03	0.86	-42.52
CC(C)(C)OC(=O)NCCN1CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020218875	1	51	-1.0	-43.37	396.09	0.88	-42.49
COC(=O)CN1C=CC2=CC(NC(=O)CCC3=N[N-]N=N3)=CC=C21	REAL300020218876	0	39	-1.0	-51.01	341.73	5.50	-45.51
COC(=O)CN1C=CC2=CC(NC(=O)CCC3=NN=N[N-]3)=CC=C21	REAL300020218876	1	39	-1.0	-51.01	341.78	5.52	-45.49
CC(C)(C)OC(=O)CN1C=CC2=CC(NC(=O)CCC3=N[N-]N=N3)=CC=C21	REAL300020218877	0	48	-1.0	-49.75	396.64	7.53	-42.22
CC(C)(C)OC(=O)CN1C=CC2=CC(NC(=O)CCC3=NN=N[N-]3)=CC=C21	REAL300020218877	1	48	-1.0	-49.81	396.70	7.55	-42.26
O=C(CCC1=NN=N[N-]1)NCC1(C2=CC=CC=N2)CC2(CCC2)C1	REAL300020218878	0	45	-1.0	-40.05	364.14	5.30	-34.75
O=C(CCC1=N[N-]N=N1)NCC1(C2=CC=CC=N2)CC2(CCC2)C1	REAL300020218878	1	45	-1.0	-40.03	364.09	5.29	-34.74
CN(C[C@@H]1CCCN1C(=O)OC(C)(C)C)C(=O)CCC1=N[N-]N=N1	REAL300020218879	0	49	-1.0	-40.42	379.18	4.96	-35.46
CN(C[C@@H]1CCCN1C(=O)OC(C)(C)C)C(=O)CCC1=NN=N[N-]1	REAL300020218879	1	49	-1.0	-40.38	379.24	4.98	-35.40
CN(CC1CCN(C(=O)OC(C)(C)C)C1)C(=O)CCC1=N[N-]N=N1	REAL300020218880	0	49	-1.0	-51.13	381.47	4.83	-46.30
CN(CC1CCN(C(=O)OC(C)(C)C)C1)C(=O)CCC1=NN=N[N-]1	REAL300020218880	1	49	-1.0	-51.16	381.53	4.85	-46.31
CC(C)(C)OC(=O)NCC12CC(CNC(=O)CCC3=N[N-]N=N3)(C1)CO2	REAL300020218881	0	51	-1.0	-42.71	409.65	0.76	-41.95
CC(C)(C)OC(=O)NCC12CC(CNC(=O)CCC3=NN=N[N-]3)(C1)CO2	REAL300020218881	1	51	-1.0	-42.70	409.71	0.78	-41.92
CC(C)(C)OC(=O)NC1CN(C(=O)CCC2=N[N-]N=N2)CC2=CC=CC=C21	REAL300020218882	0	50	-1.0	-40.65	394.60	4.67	-35.98
CC(C)(C)OC(=O)NC1CN(C(=O)CCC2=NN=N[N-]2)CC2=CC=CC=C21	REAL300020218882	1	50	-1.0	-40.66	394.65	4.69	-35.97
CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)CCC3=N[N-]N=N3)CC[C@@H]21	REAL300020218883	0	50	-1.0	-42.20	375.80	4.82	-37.38
CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)CCC3=NN=N[N-]3)CC[C@@H]21	REAL300020218883	1	50	-1.0	-42.19	375.86	4.83	-37.36
O=C(CCC1=N[N-]N=N1)NC1=CC=CC(F)=C1OC(F)(F)F	REAL300020218884	0	30	-1.0	-38.66	287.18	2.89	-35.77
O=C(CCC1=NN=N[N-]1)NC1=CC=CC(F)=C1OC(F)(F)F	REAL300020218884	1	30	-1.0	-38.64	287.24	2.91	-35.73
O=C(CCC1=N[N-]N=N1)NC1=CN(CC2=CC=C(F)C=C2F)C(=O)C=C1	REAL300020218885	0	39	-1.0	-42.87	349.74	5.27	-37.60
O=C(CCC1=NN=N[N-]1)NC1=CN(CC2=CC=C(F)C=C2F)C(=O)C=C1	REAL300020218885	1	39	-1.0	-42.88	349.79	5.28	-37.60
CC(C)(C)OC(=O)N1CCC(C2CC2)C1CNC(=O)CCC1=N[N-]N=N1	REAL300020218886	0	53	-1.0	-44.17	406.47	6.04	-38.13
CC(C)(C)OC(=O)N1CCC(C2CC2)C1CNC(=O)CCC1=NN=N[N-]1	REAL300020218886	1	53	-1.0	-44.12	406.53	6.06	-38.06
CC(C)(C)OC(=O)NCC12CCC(CNC(=O)CCC3=N[N-]N=N3)(CC1)CO2	REAL300020218887	0	57	-1.0	-42.54	432.87	2.45	-40.09
CC(C)(C)OC(=O)NCC12CCC(CNC(=O)CCC3=NN=N[N-]3)(CC1)CO2	REAL300020218887	1	57	-1.0	-42.56	432.92	2.47	-40.09
CC1CN(C(=O)CCC2=N[N-]N=N2)CC(C)C1NC(=O)OC(C)(C)C	REAL300020218888	0	52	-1.0	-40.00	389.09	4.40	-35.60
CC1CN(C(=O)CCC2=NN=N[N-]2)CC(C)C1NC(=O)OC(C)(C)C	REAL300020218888	1	52	-1.0	-40.01	389.14	4.42	-35.59
CCOC(=O)N1CCCC2=CC=C(NC(=O)CCC3=N[N-]N=N3)C=C21	REAL300020218889	0	44	-1.0	-44.85	358.31	4.74	-40.11
CCOC(=O)N1CCCC2=CC=C(NC(=O)CCC3=NN=N[N-]3)C=C21	REAL300020218889	1	44	-1.0	-44.84	358.36	4.75	-40.09
O=C(CCC1=N[N-]N=N1)N=S1(=O)CCC2(C1)OCCO2	REAL300020218890	0	34	-1.0	-53.32	297.44	-1.02	-54.34
O=C(CCC1=NN=N[N-]1)N=S1(=O)CCC2(C1)OCCO2	REAL300020218890	1	34	-1.0	-53.30	297.50	-1.00	-54.30
CCCCS(=O)(=O)N1CCC(NC(=O)CCC2=N[N-]N=N2)CC1	REAL300020218891	0	46	-1.0	-46.15	379.30	1.26	-44.89
CCCCS(=O)(=O)N1CCC(NC(=O)CCC2=NN=N[N-]2)CC1	REAL300020218891	1	46	-1.0	-46.13	379.35	1.28	-44.85
CC(C)(C)OC(=O)NC[C@@]1(F)C[C@H](NC(=O)CCC2=N[N-]N=N2)C1	REAL300020218892	0	46	-1.0	-42.93	375.36	1.76	-41.17
CC(C)(C)OC(=O)NC[C@@]1(F)C[C@H](NC(=O)CCC2=NN=N[N-]2)C1	REAL300020218892	1	46	-1.0	-42.93	375.42	1.78	-41.15
CC(C)(C)OC(=O)NC[C@@]1(F)C[C@@H](NC(=O)CCC2=N[N-]N=N2)C1	REAL300020218893	0	46	-1.0	-43.64	377.58	1.62	-42.02
CC(C)(C)OC(=O)NC[C@@]1(F)C[C@@H](NC(=O)CCC2=NN=N[N-]2)C1	REAL300020218893	1	46	-1.0	-43.65	377.64	1.64	-42.01
COC(=O)CC1=CC=C2CCCN(C(=O)CCC3=N[N-]N=N3)C2=C1	REAL300020218894	0	42	-1.0	-46.41	345.37	6.72	-39.69
COC(=O)CC1=CC=C2CCCN(C(=O)CCC3=NN=N[N-]3)C2=C1	REAL300020218894	1	42	-1.0	-46.40	345.42	6.74	-39.66
CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1NC(=O)CCC1=N[N-]N=N1	REAL300020218895	0	49	-1.0	-40.38	380.25	2.85	-37.53
CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1NC(=O)CCC1=NN=N[N-]1	REAL300020218895	1	49	-1.0	-40.39	380.30	2.87	-37.52
CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1NC(=O)CCC1=N[N-]N=N1	REAL300020218896	0	49	-1.0	-40.77	380.25	3.02	-37.75
CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1NC(=O)CCC1=NN=N[N-]1	REAL300020218896	1	49	-1.0	-40.75	380.31	3.04	-37.71
CC(C)(C)OC(=O)NCC1CN(C(=O)CCC2=N[N-]N=N2)C1	REAL300020218897	0	43	-1.0	-44.09	352.84	1.76	-42.33
CC(C)(C)OC(=O)NCC1CN(C(=O)CCC2=NN=N[N-]2)C1	REAL300020218897	1	43	-1.0	-44.07	352.90	1.77	-42.30
O=C(CCC1=NN=N[N-]1)NCC1=NC(C2=CC=C(F)C=C2)=CS1	REAL300020218898	0	35	-1.0	-41.65	327.15	3.53	-38.12
O=C(CCC1=N[N-]N=N1)NCC1=NC(C2=CC=C(F)C=C2)=CS1	REAL300020218898	1	35	-1.0	-41.66	327.09	3.51	-38.15
CCOC(=O)C(F)(CNC(=O)CCC1=N[N-]N=N1)C(C)C	REAL300020218899	0	40	-1.0	-40.80	329.22	3.37	-37.43
CCOC(=O)C(F)(CNC(=O)CCC1=NN=N[N-]1)C(C)C	REAL300020218899	1	40	-1.0	-40.78	329.28	3.38	-37.40
CCOC(OCC)C1CN(C(=O)CCC2=N[N-]N=N2)CCO1	REAL300020218900	0	44	-1.0	-40.99	349.98	2.61	-38.38
CCOC(OCC)C1CN(C(=O)CCC2=NN=N[N-]2)CCO1	REAL300020218900	1	44	-1.0	-41.03	350.04	2.62	-38.41
O=C(CCC1=N[N-]N=N1)NC(C1=CC(Cl)=CC=C1Cl)C1CC1	REAL300020218901	0	36	-1.0	-39.09	331.32	6.73	-32.36
O=C(CCC1=NN=N[N-]1)NC(C1=CC(Cl)=CC=C1Cl)C1CC1	REAL300020218901	1	36	-1.0	-39.06	331.37	6.75	-32.31
O=C(CCC1=N[N-]N=N1)N1CCC(O)(C2=CC=CC(Br)=C2)CC1	REAL300020218902	0	40	-1.0	-41.70	338.98	3.90	-37.80
O=C(CCC1=NN=N[N-]1)N1CCC(O)(C2=CC=CC(Br)=C2)CC1	REAL300020218902	1	40	-1.0	-41.72	339.04	3.92	-37.80
O=C(CCC1=N[N-]N=N1)N1CCC(O)(C2=CC=C(F)C(F)=C2)CC1	REAL300020218903	0	40	-1.0	-41.88	330.38	3.40	-38.48
O=C(CCC1=NN=N[N-]1)N1CCC(O)(C2=CC=C(F)C(F)=C2)CC1	REAL300020218903	1	40	-1.0	-41.91	330.44	3.41	-38.50
CC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)CCC1=N[N-]N=N1	REAL300020218904	0	49	-1.0	-42.19	385.55	3.82	-38.37
CC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)CCC1=NN=N[N-]1	REAL300020218904	1	49	-1.0	-42.16	385.61	3.83	-38.33
CC(C)(C)OC(=O)N1CCCC2(CCCCC2NC(=O)CCC2=N[N-]N=N2)C1	REAL300020218905	0	59	-1.0	-48.49	427.64	6.69	-41.80
CC(C)(C)OC(=O)N1CCCC2(CCCCC2NC(=O)CCC2=NN=N[N-]2)C1	REAL300020218905	1	59	-1.0	-48.47	427.70	6.70	-41.77
C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1CNC(=O)CCC1=N[N-]N=N1	REAL300020218906	0	53	-1.0	-43.19	408.77	2.41	-40.78
C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1CNC(=O)CCC1=NN=N[N-]1	REAL300020218906	1	53	-1.0	-43.19	408.83	2.43	-40.76
COC1(OC)CC(CNC(=O)CCC2=N[N-]N=N2)(C(=O)OC(C)C)C1	REAL300020218907	0	49	-1.0	-40.06	395.12	3.40	-36.66
COC1(OC)CC(CNC(=O)CCC2=NN=N[N-]2)(C(=O)OC(C)C)C1	REAL300020218907	1	49	-1.0	-40.09	395.18	3.41	-36.68
COC1(OC)CC2(C1)CC(O)CN(C(=O)CCC1=N[N-]N=N1)C2	REAL300020218908	0	45	-1.0	-41.30	352.18	0.24	-41.06
COC1(OC)CC2(C1)CC(O)CN(C(=O)CCC1=NN=N[N-]1)C2	REAL300020218908	1	45	-1.0	-41.33	352.23	0.26	-41.07
O=C(CCC1=N[N-]N=N1)N1CC(CO)OC(C(F)(F)F)C1	REAL300020218909	0	34	-1.0	-40.46	298.38	-0.83	-41.29
O=C(CCC1=NN=N[N-]1)N1CC(CO)OC(C(F)(F)F)C1	REAL300020218909	1	34	-1.0	-40.50	298.43	-0.82	-41.32
CC(C)(C)OC(=O)N1CC2CC1CN(C(=O)CCC1=N[N-]N=N1)C2	REAL300020218910	0	47	-1.0	-48.76	362.83	5.14	-43.62
CC(C)(C)OC(=O)N1CC2CC1CN(C(=O)CCC1=NN=N[N-]1)C2	REAL300020218910	1	47	-1.0	-48.74	362.89	5.15	-43.59
CC(C)(C)OC(=O)NCC1(F)CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300020218911	0	49	-1.0	-41.99	384.95	3.42	-38.57
CC(C)(C)OC(=O)NCC1(F)CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020218911	1	49	-1.0	-42.01	385.01	3.44	-38.57
CC1(C)CC2=CC=CC(CNC(=O)CCC3=N[N-]N=N3)=C2O1	REAL300020218912	0	40	-1.0	-42.20	334.85	3.92	-38.28
CC1(C)CC2=CC=CC(CNC(=O)CCC3=NN=N[N-]3)=C2O1	REAL300020218912	1	40	-1.0	-42.22	334.91	3.93	-38.29
CC(C)(C)OC(=O)NC12CC3CC(CC(NC(=O)CCC4=N[N-]N=N4)(C3)C1)C2	REAL300020218913	0	57	-1.0	-42.75	411.25	3.48	-39.27
CC(C)(C)OC(=O)NC12CC3CC(CC(NC(=O)CCC4=NN=N[N-]4)(C3)C1)C2	REAL300020218913	1	57	-1.0	-42.74	411.30	3.50	-39.24
CC(C)(C)OC(=O)NCC12CCC(NC(=O)CCC3=N[N-]N=N3)(CO1)C2	REAL300020218914	0	51	-1.0	-42.92	401.20	0.65	-42.27
CC(C)(C)OC(=O)NCC12CCC(NC(=O)CCC3=NN=N[N-]3)(CO1)C2	REAL300020218914	1	51	-1.0	-42.91	401.26	0.66	-42.25
CC(C)(C)OC(=O)N1CCCC2(CC(NC(=O)CCC3=N[N-]N=N3)C2)C1	REAL300020218915	0	53	-1.0	-45.52	408.66	4.71	-40.81
CC(C)(C)OC(=O)N1CCCC2(CC(NC(=O)CCC3=NN=N[N-]3)C2)C1	REAL300020218915	1	53	-1.0	-45.50	408.73	4.73	-40.77
CC1=CC=C(F)C(C2CCCN2C(=O)CCC2=N[N-]N=N2)=C1F	REAL300020218916	0	39	-1.0	-42.95	325.94	6.93	-36.02
CC1=CC=C(F)C(C2CCCN2C(=O)CCC2=NN=N[N-]2)=C1F	REAL300020218916	1	39	-1.0	-42.97	325.99	6.95	-36.02
CN(C(=O)CCC1=N[N-]N=N1)[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21	REAL300020218917	0	47	-1.0	-48.02	372.01	4.97	-43.05
CN(C(=O)CCC1=NN=N[N-]1)[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21	REAL300020218917	1	47	-1.0	-48.02	372.07	4.98	-43.04
O=C(CCC1=N[N-]N=N1)NC1CCS(=O)(=O)C2(CC(CO)C2)C1	REAL300020218918	0	43	-1.0	-45.74	353.71	-2.49	-48.23
O=C(CCC1=NN=N[N-]1)NC1CCS(=O)(=O)C2(CC(CO)C2)C1	REAL300020218918	1	43	-1.0	-45.75	353.76	-2.48	-48.23
NC(=O)C1COC2(C1)CCN(C(=O)CCC1=N[N-]N=N1)CC2	REAL300020218919	0	41	-1.0	-45.20	326.16	-0.29	-45.49
NC(=O)C1COC2(C1)CCN(C(=O)CCC1=NN=N[N-]1)CC2	REAL300020218919	1	41	-1.0	-45.22	326.22	-0.28	-45.50
CS(=O)(=O)C1=C2CN(C(=O)CCC3=N[N-]N=N3)CCN2N=C1	REAL300020218920	0	36	-1.0	-45.35	314.25	-0.77	-46.12
CS(=O)(=O)C1=C2CN(C(=O)CCC3=NN=N[N-]3)CCN2N=C1	REAL300020218920	1	36	-1.0	-45.38	314.31	-0.76	-46.14
CC1=CC(CNC(=O)CCC2=NN=N[N-]2)=CN=C1Br	REAL300020218921	0	31	-1.0	-40.04	292.20	1.99	-38.05
CC1=CC(CNC(=O)CCC2=N[N-]N=N2)=CN=C1Br	REAL300020218921	1	31	-1.0	-40.03	292.14	1.97	-38.06
CC1=C(CNC(=O)CCC2=NN=N[N-]2)N=C(C2=CC=CC=C2)O1	REAL300020218922	0	38	-1.0	-43.04	334.00	1.87	-41.17
CC1=C(CNC(=O)CCC2=N[N-]N=N2)N=C(C2=CC=CC=C2)O1	REAL300020218922	1	38	-1.0	-43.06	333.94	1.85	-41.21
COC(=O)C1=CC=CC([C@H]2C[C@H](NC(=O)CCC3=N[N-]N=N3)C2)=C1	REAL300020218923	0	42	-1.0	-44.23	356.11	5.30	-38.93
COC(=O)C1=CC=CC([C@H]2C[C@H](NC(=O)CCC3=NN=N[N-]3)C2)=C1	REAL300020218923	1	42	-1.0	-44.24	356.17	5.31	-38.93
CC1CN(C(=O)CCC2=N[N-]N=N2)CCC2=CC(Br)=C(O)C=C21	REAL300020218924	0	40	-1.0	-39.35	330.91	4.41	-34.94
CC1CN(C(=O)CCC2=NN=N[N-]2)CCC2=CC(Br)=C(O)C=C21	REAL300020218924	1	40	-1.0	-39.34	330.96	4.42	-34.92
C[C@H]1C[C@H](C2=NNC(=O)N2C)CN(C(=O)CCC2=N[N-]N=N2)C1	REAL300020218925	0	42	-1.0	-42.93	336.38	3.24	-39.69
C[C@H]1C[C@H](C2=NNC(=O)N2C)CN(C(=O)CCC2=NN=N[N-]2)C1	REAL300020218925	1	42	-1.0	-42.91	336.44	3.25	-39.66
O=C(CCC1=N[N-]N=N1)NCC1=CC=C(CC2=CC=CC=C2)C=C1	REAL300020218926	0	42	-1.0	-40.20	360.38	7.16	-33.04
O=C(CCC1=NN=N[N-]1)NCC1=CC=C(CC2=CC=CC=C2)C=C1	REAL300020218926	1	42	-1.0	-40.18	360.44	7.17	-33.01
CC1=CC=C(C(F)(F)F)C=C1NNC(=O)CCC1=N[N-]N=N1	REAL300020218927	0	34	-1.0	-39.12	304.94	3.92	-35.20
CC1=CC=C(C(F)(F)F)C=C1NNC(=O)CCC1=NN=N[N-]1	REAL300020218927	1	34	-1.0	-39.12	305.00	3.94	-35.18
O=C(CCC1=N[N-]N=N1)NC[C@H]1C2CCC(CC2)[C@@H]1C(F)(F)F	REAL300020218928	0	42	-1.0	-38.46	324.36	4.59	-33.87
O=C(CCC1=NN=N[N-]1)NC[C@H]1C2CCC(CC2)[C@@H]1C(F)(F)F	REAL300020218928	1	42	-1.0	-38.48	324.42	4.61	-33.87
O=C(CCC1=NN=N[N-]1)N1CCC(OC2=CC=CC=N2)CC1	REAL300020218929	0	39	-1.0	-41.82	321.44	3.01	-38.81
O=C(CCC1=N[N-]N=N1)N1CCC(OC2=CC=CC=N2)CC1	REAL300020218929	1	39	-1.0	-41.80	321.38	2.99	-38.81
O=C(CCC1=N[N-]N=N1)N1CCC(C2=CC(F)=CC(F)=C2)CC1	REAL300020218930	0	39	-1.0	-40.60	325.56	6.43	-34.17
O=C(CCC1=NN=N[N-]1)N1CCC(C2=CC(F)=CC(F)=C2)CC1	REAL300020218930	1	39	-1.0	-40.56	325.61	6.44	-34.12
CCOC(=O)C1CC12CCN(C(=O)CCC1=N[N-]N=N1)CC2	REAL300020218931	0	42	-1.0	-43.58	338.55	5.65	-37.93
CCOC(=O)C1CC12CCN(C(=O)CCC1=NN=N[N-]1)CC2	REAL300020218931	1	42	-1.0	-43.61	338.61	5.66	-37.95
CCOC(=O)C1=C2CN(C(=O)CCC3=N[N-]N=N3)CCC2=NN1C	REAL300020218932	0	42	-1.0	-44.79	348.35	4.25	-40.54
CCOC(=O)C1=C2CN(C(=O)CCC3=NN=N[N-]3)CCC2=NN1C	REAL300020218932	1	42	-1.0	-44.76	348.41	4.26	-40.50
O=C(CCC1=N[N-]N=N1)NCC1=CC(Br)=CC(Cl)=C1F	REAL300020218933	0	29	-1.0	-38.78	300.74	3.82	-34.96
O=C(CCC1=NN=N[N-]1)NCC1=CC(Br)=CC(Cl)=C1F	REAL300020218933	1	29	-1.0	-38.78	300.80	3.84	-34.94
O=C(CCC1=NN=N[N-]1)NC1=CN=C2C=C(Br)C=CN12	REAL300020218934	0	29	-1.0	-42.27	279.12	4.63	-37.64
O=C(CCC1=N[N-]N=N1)NC1=CN=C2C=C(Br)C=CN12	REAL300020218934	1	29	-1.0	-42.24	279.06	4.62	-37.62
O=C(CCC1=N[N-]N=N1)NC1=CC=CC(NS(=O)(=O)C2CC2)=C1	REAL300020218935	0	38	-1.0	-44.27	336.06	1.07	-43.20
O=C(CCC1=NN=N[N-]1)NC1=CC=CC(NS(=O)(=O)C2CC2)=C1	REAL300020218935	1	38	-1.0	-44.31	336.12	1.09	-43.22
O=C(CCC1=N[N-]N=N1)N1CCC(C(C2=CC=CC=C2)C2=CC=CC=C2)CC1	REAL300020218936	0	52	-1.0	-40.61	403.49	10.12	-30.49
O=C(CCC1=NN=N[N-]1)N1CCC(C(C2=CC=CC=C2)C2=CC=CC=C2)CC1	REAL300020218936	1	52	-1.0	-40.58	403.55	10.14	-30.44
COC(=O)C1(C(F)F)CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300020218937	0	38	-1.0	-42.29	314.06	3.97	-38.32
COC(=O)C1(C(F)F)CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020218937	1	38	-1.0	-42.28	314.12	3.99	-38.29
CCCN(CC1=CC(F)=CC=C1F)C(=O)CCC1=N[N-]N=N1	REAL300020218938	0	38	-1.0	-41.93	322.81	6.57	-35.36
CCCN(CC1=CC(F)=CC=C1F)C(=O)CCC1=NN=N[N-]1	REAL300020218938	1	38	-1.0	-41.95	322.87	6.59	-35.36
CC1=CC(C(F)F)=NC(C2(NC(=O)CCC3=N[N-]N=N3)CCCC2)=N1	REAL300020218939	0	43	-1.0	-45.63	355.18	4.92	-40.71
CC1=CC(C(F)F)=NC(C2(NC(=O)CCC3=NN=N[N-]3)CCCC2)=N1	REAL300020218939	1	43	-1.0	-45.65	355.24	4.93	-40.72
CC1(C2=NC(C3=NC=CC=N3)=NO2)CCN(C(=O)CCC2=N[N-]N=N2)C1	REAL300020218940	0	42	-1.0	-48.49	360.76	1.96	-46.53
CC1(C2=NC(C3=NC=CC=N3)=NO2)CCN(C(=O)CCC2=NN=N[N-]2)C1	REAL300020218940	1	42	-1.0	-48.52	360.82	1.97	-46.55
CC1(C)C[C@@H](NC(=O)CCC2=N[N-]N=N2)[C@H]1OCC1=CC=CC=C1	REAL300020218941	0	46	-1.0	-40.72	372.53	6.05	-34.67
CC1(C)C[C@@H](NC(=O)CCC2=NN=N[N-]2)[C@H]1OCC1=CC=CC=C1	REAL300020218941	1	46	-1.0	-40.70	372.58	6.07	-34.63
O=C(CCC1=N[N-]N=N1)N1C2=CC=C(F)C=C2NC(=O)C12CCC2	REAL300020218942	0	38	-1.0	-37.13	309.29	3.25	-33.88
O=C(CCC1=NN=N[N-]1)N1C2=CC=C(F)C=C2NC(=O)C12CCC2	REAL300020218942	1	38	-1.0	-37.18	309.34	3.26	-33.92
O=C(CCC1=N[N-]N=N1)N(C1=CC=CC(Br)=C1)C1CCC1	REAL300020218943	0	36	-1.0	-37.44	303.67	6.15	-31.29
O=C(CCC1=NN=N[N-]1)N(C1=CC=CC(Br)=C1)C1CCC1	REAL300020218943	1	36	-1.0	-37.42	303.73	6.16	-31.26
COC(=O)C1COC2(C1)CCN(C(=O)CCC1=N[N-]N=N1)CC2	REAL300020218944	0	43	-1.0	-42.31	343.94	3.70	-38.61
COC(=O)C1COC2(C1)CCN(C(=O)CCC1=NN=N[N-]1)CC2	REAL300020218944	1	43	-1.0	-42.35	344.00	3.72	-38.63
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COC1=CC=CC(CC2(NC(=O)CCC3=N[N-]N=N3)CC2)=C1	REAL300020218946	0	40	-1.0	-40.53	339.09	4.29	-36.24
COC1=CC=CC(CC2(NC(=O)CCC3=NN=N[N-]3)CC2)=C1	REAL300020218946	1	40	-1.0	-40.52	339.15	4.30	-36.22
COC1=C2NC=C(CCNC(=O)CCC3=N[N-]N=N3)C2=CC=C1	REAL300020218947	0	40	-1.0	-44.66	340.52	2.80	-41.86
COC1=C2NC=C(CCNC(=O)CCC3=NN=N[N-]3)C2=CC=C1	REAL300020218947	1	40	-1.0	-44.68	340.58	2.82	-41.86
COC(=O)[C@@H]1COCC[C@@H]1C1CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300020218948	0	49	-1.0	-43.42	371.15	5.27	-38.15
COC(=O)[C@@H]1COCC[C@@H]1C1CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020218948	1	49	-1.0	-43.42	371.20	5.28	-38.14
CC1=CC(=O)OC2=CC(OCC3CCN(C(=O)CCC4=N[N-]N=N4)CC3)=CC=C12	REAL300020218949	0	51	-1.0	-50.36	411.14	8.17	-42.19
CC1=CC(=O)OC2=CC(OCC3CCN(C(=O)CCC4=NN=N[N-]4)CC3)=CC=C12	REAL300020218949	1	51	-1.0	-50.38	411.19	8.18	-42.20
O=C(CCC1=N[N-]N=N1)NC1=CC=C(N2C(=O)CNC2=O)C=C1	REAL300020218950	0	35	-1.0	-47.83	301.92	0.57	-47.26
O=C(CCC1=NN=N[N-]1)NC1=CC=C(N2C(=O)CNC2=O)C=C1	REAL300020218950	1	35	-1.0	-47.82	301.98	0.59	-47.23
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CS(=O)(=O)C1=CC(C#N)=CC(NC(=O)CCC2=N[N-]N=N2)=C1	REAL300020218952	0	33	-1.0	-48.19	313.30	0.49	-47.70
CS(=O)(=O)C1=CC(C#N)=CC(NC(=O)CCC2=NN=N[N-]2)=C1	REAL300020218952	1	33	-1.0	-48.22	313.35	0.51	-47.71
CC(C)(C)OC(=O)NC1CCCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300020218953	0	49	-1.0	-42.22	375.98	3.71	-38.51
CC(C)(C)OC(=O)NC1CCCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020218953	1	49	-1.0	-42.15	376.03	3.72	-38.43
CC(C)(C)OC(=O)NC1CCCCN(C(=O)CCC2=N[N-]N=N2)C1	REAL300020218954	0	49	-1.0	-48.97	376.62	3.64	-45.33
CC(C)(C)OC(=O)NC1CCCCN(C(=O)CCC2=NN=N[N-]2)C1	REAL300020218954	1	49	-1.0	-48.97	376.68	3.65	-45.32
O=C(CCC1=N[N-]N=N1)NC1=CC=C2CNS(=O)(=O)C2=C1	REAL300020218955	0	32	-1.0	-46.78	290.20	-2.01	-48.79
O=C(CCC1=NN=N[N-]1)NC1=CC=C2CNS(=O)(=O)C2=C1	REAL300020218955	1	32	-1.0	-46.78	290.26	-1.99	-48.77
N#CC1=CN(C2=CC=C(NC(=O)CCC3=NN=N[N-]3)C=C2)N=C1	REAL300020218956	0	34	-1.0	-45.73	311.38	4.25	-41.48
N#CC1=CN(C2=CC=C(NC(=O)CCC3=N[N-]N=N3)C=C2)N=C1	REAL300020218956	1	34	-1.0	-45.70	311.32	4.23	-41.47
CC1(C)NC(=O)OC12CCN(C(=O)CCC1=N[N-]N=N1)CC2	REAL300020218957	0	41	-1.0	-45.02	315.84	0.83	-44.19
CC1(C)NC(=O)OC12CCN(C(=O)CCC1=NN=N[N-]1)CC2	REAL300020218957	1	41	-1.0	-45.00	315.90	0.84	-44.16
O=C(CCC1=N[N-]N=N1)N1CCCC(C(=O)N2CC3CCC2C3)C1	REAL300020218958	0	47	-1.0	-41.98	362.53	5.42	-36.56
O=C(CCC1=NN=N[N-]1)N1CCCC(C(=O)N2CC3CCC2C3)C1	REAL300020218958	1	47	-1.0	-41.96	362.59	5.43	-36.53
CCN1N=CC=C1CN(C(=O)CCC1=N[N-]N=N1)C1=CC=C(OC)C=C1	REAL300020218959	0	46	-1.0	-45.01	379.77	5.83	-39.18
CCN1N=CC=C1CN(C(=O)CCC1=NN=N[N-]1)C1=CC=C(OC)C=C1	REAL300020218959	1	46	-1.0	-45.03	379.83	5.84	-39.19
O=C(CCC1=N[N-]N=N1)NC(CN1CCOCC1)C12CC3CC(CC(C3)C1)C2	REAL300020218960	0	59	-1.0	-41.45	418.64	4.23	-37.22
O=C(CCC1=NN=N[N-]1)NC(CN1CCOCC1)C12CC3CC(CC(C3)C1)C2	REAL300020218960	1	59	-1.0	-41.42	418.69	4.24	-37.18
O=C(CCC1=N[N-]N=N1)NC(C[NH+]1CCOCC1)C12CC3CC(CC(C3)C1)C2	REAL300020218960	1	60	0.0	-67.71	414.95	6.38	-61.33
CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)CCC2=N[N-]N=N2)C[C@H]1C(F)F	REAL300020218961	0	46	-1.0	-44.00	377.55	2.76	-41.24
CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)CCC2=NN=N[N-]2)C[C@H]1C(F)F	REAL300020218961	1	46	-1.0	-43.99	377.61	2.77	-41.22
CN1C=C([C@@H]2C[C@H]2CN(C(=O)CCC2=NN=N[N-]2)C2CC2)C=N1	REAL300020218962	0	43	-1.0	-45.35	354.06	6.05	-39.30
CN1C=C([C@@H]2C[C@H]2CN(C(=O)CCC2=N[N-]N=N2)C2CC2)C=N1	REAL300020218962	1	43	-1.0	-45.40	354.00	6.03	-39.37
O=C(CCC1=N[N-]N=N1)N1CCCCNS(=O)(=O)CC1	REAL300020218963	0	37	-1.0	-46.45	296.43	-1.13	-47.58
O=C(CCC1=NN=N[N-]1)N1CCCCNS(=O)(=O)CC1	REAL300020218963	1	37	-1.0	-46.40	296.49	-1.11	-47.51
CC(CC1CC2CCC(C1)N2C(=O)OC(C)(C)C)NC(=O)CCC1=N[N-]N=N1	REAL300020218964	0	59	-1.0	-44.77	443.89	6.37	-38.40
CC(CC1CC2CCC(C1)N2C(=O)OC(C)(C)C)NC(=O)CCC1=NN=N[N-]1	REAL300020218964	1	59	-1.0	-44.76	443.95	6.39	-38.37
CC(C)(C)OC(=O)NC12CCC(CC1NC(=O)CCC1=N[N-]N=N1)C2	REAL300020218965	0	50	-1.0	-42.37	380.41	2.92	-39.45
CC(C)(C)OC(=O)NC12CCC(CC1NC(=O)CCC1=NN=N[N-]1)C2	REAL300020218965	1	50	-1.0	-42.39	380.47	2.93	-39.46
CC1(C)OC(C2=CC=C(NC(=O)CCC3=N[N-]N=N3)C=C2)OC1(C)C	REAL300020218966	0	47	-1.0	-42.28	370.38	4.62	-37.66
CC1(C)OC(C2=CC=C(NC(=O)CCC3=NN=N[N-]3)C=C2)OC1(C)C	REAL300020218966	1	47	-1.0	-42.26	370.44	4.64	-37.62
O=C(CCC1=N[N-]N=N1)N1C[C@@H](O)C[C@@H]1C1=CC=C(C(F)(F)F)C=C1	REAL300020218967	0	40	-1.0	-42.65	349.17	3.77	-38.88
O=C(CCC1=NN=N[N-]1)N1C[C@@H](O)C[C@@H]1C1=CC=C(C(F)(F)F)C=C1	REAL300020218967	1	40	-1.0	-42.61	349.23	3.79	-38.82
O=C(CCC1=NN=N[N-]1)NC1=CN(C2=CC=NC(F)=C2)N=C1	REAL300020218968	0	32	-1.0	-45.83	291.39	1.94	-43.89
O=C(CCC1=N[N-]N=N1)NC1=CN(C2=CC=NC(F)=C2)N=C1	REAL300020218968	1	32	-1.0	-45.78	291.34	1.93	-43.85
CN(C(=O)CCC1=N[N-]N=N1)C1=CC=C(CNC(=O)OC(C)(C)C)C=C1	REAL300020218969	0	49	-1.0	-42.85	401.57	4.76	-38.09
CN(C(=O)CCC1=NN=N[N-]1)C1=CC=C(CNC(=O)OC(C)(C)C)C=C1	REAL300020218969	1	49	-1.0	-42.85	401.62	4.77	-38.08
O=C(CCC1=N[N-]N=N1)NCC(CCO)C1=CC=C(C(F)(F)F)C=C1	REAL300020218970	0	42	-1.0	-42.51	364.49	2.37	-40.14
O=C(CCC1=NN=N[N-]1)NCC(CCO)C1=CC=C(C(F)(F)F)C=C1	REAL300020218970	1	42	-1.0	-42.48	364.54	2.38	-40.10
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)CCC1=N[N-]N=N1	REAL300020218971	0	44	-1.0	-46.86	352.47	3.22	-43.64
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)CCC1=NN=N[N-]1	REAL300020218971	1	44	-1.0	-46.90	352.53	3.24	-43.66
CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)CCC1=N[N-]N=N1)C2	REAL300020218972	0	51	-1.0	-43.10	391.32	5.12	-37.98
CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(NC(=O)CCC1=NN=N[N-]1)C2	REAL300020218972	1	51	-1.0	-43.17	391.38	5.14	-38.03
O=C(CCC1=N[N-]N=N1)NC12CCC(C(F)(F)F)(CC1)C2	REAL300020218973	0	36	-1.0	-38.07	302.26	3.44	-34.63
O=C(CCC1=NN=N[N-]1)NC12CCC(C(F)(F)F)(CC1)C2	REAL300020218973	1	36	-1.0	-38.07	302.32	3.45	-34.62
O=C(CCC1=N[N-]N=N1)N[N-]C(=O)C1=CC=C(Br)C=N1	REAL300020218974	0	28	-2.0	-92.21	287.41	-0.50	-92.71
O=C(CCC1=NN=N[N-]1)N[N-]C(=O)C1=CC=C(Br)C=N1	REAL300020218974	1	28	-2.0	-92.21	287.47	-0.49	-92.70
CCOC1=CC=C(C2(NC(=O)CCC3=N[N-]N=N3)CCC2)C=C1	REAL300020218975	0	43	-1.0	-43.10	346.12	4.83	-38.27
CCOC1=CC=C(C2(NC(=O)CCC3=NN=N[N-]3)CCC2)C=C1	REAL300020218975	1	43	-1.0	-43.10	346.17	4.85	-38.25
COC1=CC=C2CC(NC(=O)CCC3=N[N-]N=N3)CCCC2=C1	REAL300020218976	0	43	-1.0	-42.62	342.28	4.28	-38.34
COC1=CC=C2CC(NC(=O)CCC3=NN=N[N-]3)CCCC2=C1	REAL300020218976	1	43	-1.0	-42.63	342.33	4.29	-38.34
CCOC1=CC(NC(=O)CCC2=N[N-]N=N2)=CC(OCC)=C1	REAL300020218977	0	40	-1.0	-42.73	334.18	3.04	-39.69
CCOC1=CC(NC(=O)CCC2=NN=N[N-]2)=CC(OCC)=C1	REAL300020218977	1	40	-1.0	-42.75	334.24	3.05	-39.70
O=C(CCC1=N[N-]N=N1)N1C[C@@H](O)C[C@@H]1C1=NC(C2CC2)=NO1	REAL300020218978	0	39	-1.0	-45.05	334.67	-0.56	-45.61
O=C(CCC1=NN=N[N-]1)N1C[C@@H](O)C[C@@H]1C1=NC(C2CC2)=NO1	REAL300020218978	1	39	-1.0	-45.12	334.73	-0.55	-45.67
CCOC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)CCC1=N[N-]N=N1	REAL300020218979	0	55	-1.0	-52.14	434.21	5.19	-46.95
CCOC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)CCC1=NN=N[N-]1	REAL300020218979	1	55	-1.0	-52.10	434.26	5.21	-46.89
O=C(CCC1=N[N-]N=N1)N1C[C@@H](O)[C@@H](O)CC2(CCOCC2)C1	REAL300020218980	0	45	-1.0	-44.01	327.44	-2.27	-46.28
O=C(CCC1=NN=N[N-]1)N1C[C@@H](O)[C@@H](O)CC2(CCOCC2)C1	REAL300020218980	1	45	-1.0	-44.00	327.50	-2.26	-46.26
NS(=O)(=O)NCCC1CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300020218981	0	42	-1.0	-48.00	346.32	-2.39	-50.39
NS(=O)(=O)NCCC1CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020218981	1	42	-1.0	-48.03	346.37	-2.38	-50.41
O=C(CCC1=N[N-]N=N1)NC1=CC=C2C(=C1)CCCS2(=O)=O	REAL300020218982	0	36	-1.0	-52.52	312.75	1.12	-51.40
O=C(CCC1=NN=N[N-]1)NC1=CC=C2C(=C1)CCCS2(=O)=O	REAL300020218982	1	36	-1.0	-52.49	312.80	1.14	-51.35
CC(C)(C)C1CCN(C(=O)CCC2=NN=N[N-]2)C2=CC=NN21	REAL300020218983	0	42	-1.0	-40.83	321.13	5.90	-34.93
CC(C)(C)C1CCN(C(=O)CCC2=N[N-]N=N2)C2=CC=NN21	REAL300020218983	1	42	-1.0	-40.84	321.07	5.89	-34.95
CC1=CSC(SC2=CC=C(NC(=O)CCC3=NN=N[N-]3)N=C2)=N1	REAL300020218984	0	35	-1.0	-45.17	336.35	4.04	-41.13
CC1=CSC(SC2=CC=C(NC(=O)CCC3=N[N-]N=N3)N=C2)=N1	REAL300020218984	1	35	-1.0	-45.17	336.29	4.02	-41.15
O=C(CCC1=N[N-]N=N1)NC1=CC=CC(C=CC(F)(F)F)=C1	REAL300020218985	0	33	-1.0	-41.25	302.26	4.88	-36.37
O=C(CCC1=NN=N[N-]1)NC1=CC=CC(C=CC(F)(F)F)=C1	REAL300020218985	1	33	-1.0	-41.25	302.31	4.90	-36.35
COC1(C(F)(F)CNC(=O)CCC2=N[N-]N=N2)CCCC1	REAL300020218986	0	39	-1.0	-38.34	312.83	1.88	-36.46
COC1(C(F)(F)CNC(=O)CCC2=NN=N[N-]2)CCCC1	REAL300020218986	1	39	-1.0	-38.35	312.89	1.89	-36.46
O=C(CCC1=N[N-]N=N1)NCCC(O)C1=CC=C(Br)C=C1	REAL300020218987	0	36	-1.0	-41.88	329.17	1.73	-40.15
O=C(CCC1=NN=N[N-]1)NCCC(O)C1=CC=C(Br)C=C1	REAL300020218987	1	36	-1.0	-41.87	329.23	1.74	-40.13
CC1CN(C(=O)CCC2=N[N-]N=N2)CCC2=CC=C(O)C=C21	REAL300020218988	0	40	-1.0	-39.74	310.50	3.75	-35.99
CC1CN(C(=O)CCC2=NN=N[N-]2)CCC2=CC=C(O)C=C21	REAL300020218988	1	40	-1.0	-39.70	310.56	3.76	-35.94
COC1=CC(Br)=C(CCNC(=O)CCC2=N[N-]N=N2)C=C1O	REAL300020218989	0	37	-1.0	-43.42	335.44	1.03	-42.39
COC1=CC(Br)=C(CCNC(=O)CCC2=NN=N[N-]2)C=C1O	REAL300020218989	1	37	-1.0	-43.43	335.49	1.05	-42.38
COC(=O)C1(C2CCC2)CCN(C(=O)CCC2=N[N-]N=N2)C1	REAL300020218990	0	42	-1.0	-40.95	330.04	4.78	-36.17
COC(=O)C1(C2CCC2)CCN(C(=O)CCC2=NN=N[N-]2)C1	REAL300020218990	1	42	-1.0	-40.97	330.10	4.79	-36.18
CC1(C)CCC(NC(=O)CCC2=N[N-]N=N2)CC2=CC=CC=C21	REAL300020218991	0	45	-1.0	-42.24	338.60	5.60	-36.64
CC1(C)CCC(NC(=O)CCC2=NN=N[N-]2)CC2=CC=CC=C21	REAL300020218991	1	45	-1.0	-42.24	338.66	5.62	-36.62
CC(C)C1=CC=C(C(F)(F)F)C(NC(=O)CCC2=N[N-]N=N2)=C1	REAL300020218992	0	38	-1.0	-38.89	326.59	5.78	-33.11
CC(C)C1=CC=C(C(F)(F)F)C(NC(=O)CCC2=NN=N[N-]2)=C1	REAL300020218992	1	38	-1.0	-38.92	326.65	5.80	-33.12
CC(C)C1=CC(NC(=O)CCC2=N[N-]N=N2)=CC=C1C(F)(F)F	REAL300020218993	0	38	-1.0	-38.42	324.77	5.30	-33.12
CC(C)C1=CC(NC(=O)CCC2=NN=N[N-]2)=CC=C1C(F)(F)F	REAL300020218993	1	38	-1.0	-38.43	324.83	5.32	-33.11
O=C(CCC1=N[N-]N=N1)NCC1=CC=C(Br)C=C1O	REAL300020218994	0	30	-1.0	-40.02	288.83	0.51	-39.51
O=C(CCC1=NN=N[N-]1)NCC1=CC=C(Br)C=C1O	REAL300020218994	1	30	-1.0	-39.99	288.89	0.52	-39.47
CCC1=NC(C2=CC=CC(NC(=O)CCC3=NN=N[N-]3)=C2)=NO1	REAL300020218995	0	37	-1.0	-48.54	325.61	2.68	-45.86
CCC1=NC(C2=CC=CC(NC(=O)CCC3=N[N-]N=N3)=C2)=NO1	REAL300020218995	1	37	-1.0	-48.54	325.55	2.66	-45.88
CC(C)(C)C1=CC=C(C(C)(C)NC(=O)CCC2=N[N-]N=N2)C=C1	REAL300020218996	0	47	-1.0	-38.55	360.08	6.30	-32.25
CC(C)(C)C1=CC=C(C(C)(C)NC(=O)CCC2=NN=N[N-]2)C=C1	REAL300020218996	1	47	-1.0	-38.50	360.13	6.32	-32.18
CC1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1C(=O)NC1CC1	REAL300020218997	0	40	-1.0	-41.73	335.98	3.24	-38.49
CC1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1C(=O)NC1CC1	REAL300020218997	1	40	-1.0	-41.75	336.03	3.25	-38.50
O=C(CCC1=N[N-]N=N1)N1CCN(C2=CC=C(F)C=C2F)C(=O)C1	REAL300020218998	0	37	-1.0	-42.20	326.07	4.57	-37.63
O=C(CCC1=NN=N[N-]1)N1CCN(C2=CC=C(F)C=C2F)C(=O)C1	REAL300020218998	1	37	-1.0	-42.23	326.12	4.58	-37.65
O=C(CCC1=N[N-]N=N1)N1CCN(CC2=CC=C(F)C=C2F)C(=O)C1	REAL300020218999	0	40	-1.0	-40.49	340.46	4.80	-35.69
O=C(CCC1=NN=N[N-]1)N1CCN(CC2=CC=C(F)C=C2F)C(=O)C1	REAL300020218999	1	40	-1.0	-40.48	340.52	4.81	-35.67
COC(=O)[C@]12CCN(C(=O)CCC3=N[N-]N=N3)[C@H]1CCCC2	REAL300020219000	0	42	-1.0	-47.01	326.96	4.90	-42.11
COC(=O)[C@]12CCN(C(=O)CCC3=NN=N[N-]3)[C@H]1CCCC2	REAL300020219000	1	42	-1.0	-46.99	327.02	4.91	-42.08
O=C(CCC1=N[N-]N=N1)NC1=CC=C(C=CC(F)(F)F)C=C1	REAL300020219001	0	33	-1.0	-40.27	302.23	4.88	-35.39
O=C(CCC1=NN=N[N-]1)NC1=CC=C(C=CC(F)(F)F)C=C1	REAL300020219001	1	33	-1.0	-40.28	302.29	4.90	-35.38
C=C(C)C1=CC(NC(=O)CCC2=N[N-]N=N2)=CC=C1C(F)(F)F	REAL300020219002	0	36	-1.0	-39.49	320.00	5.23	-34.26
C=C(C)C1=CC(NC(=O)CCC2=NN=N[N-]2)=CC=C1C(F)(F)F	REAL300020219002	1	36	-1.0	-39.52	320.06	5.25	-34.27
CC(COC1=CC=CC=C1)(NC(=O)CCC1=N[N-]N=N1)C(N)=O	REAL300020219003	0	40	-1.0	-47.37	336.57	-0.05	-47.42
CC(COC1=CC=CC=C1)(NC(=O)CCC1=NN=N[N-]1)C(N)=O	REAL300020219003	1	40	-1.0	-47.40	336.63	-0.03	-47.43
O=C(CCC1=N[N-]N=N1)NC1(C23CC4CC(CC(C4)C2)C3)CC1	REAL300020219004	0	47	-1.0	-38.33	333.65	5.79	-32.54
O=C(CCC1=NN=N[N-]1)NC1(C23CC4CC(CC(C4)C2)C3)CC1	REAL300020219004	1	47	-1.0	-38.31	333.70	5.81	-32.50
COCC(NC(=O)CCC1=N[N-]N=N1)C1=CC=C2NC=CC2=C1	REAL300020219005	0	40	-1.0	-42.38	337.37	2.78	-39.60
COCC(NC(=O)CCC1=NN=N[N-]1)C1=CC=C2NC=CC2=C1	REAL300020219005	1	40	-1.0	-42.36	337.43	2.80	-39.56
CC(C)[C@@H]1CC[C@@H](C)C[C@]1(O)CNC(=O)CCC1=N[N-]N=N1	REAL300020219006	0	48	-1.0	-38.99	350.34	2.47	-36.52
CC(C)[C@@H]1CC[C@@H](C)C[C@]1(O)CNC(=O)CCC1=NN=N[N-]1	REAL300020219006	1	48	-1.0	-38.99	350.39	2.48	-36.51
CC1(C)CC(NC(=O)CCC2=N[N-]N=N2)C[N@@H+]1CC1=CC=CC=C1	REAL300020219007	0	48	0.0	-58.28	371.18	5.84	-52.44
CC1(C)CC(NC(=O)CCC2=N[N-]N=N2)C[N@H+]1CC1=CC=CC=C1	REAL300020219007	1	48	0.0	-58.08	371.29	5.83	-52.25
CC1(C)CC(NC(=O)CCC2=NN=N[N-]2)C[N@@H+]1CC1=CC=CC=C1	REAL300020219007	1	48	0.0	-58.28	371.23	5.86	-52.42
CC1(C)CC(NC(=O)CCC2=NN=N[N-]2)C[N@H+]1CC1=CC=CC=C1	REAL300020219007	1	48	0.0	-58.11	371.35	5.84	-52.27
NS(=O)(=O)NC1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1	REAL300020219008	0	33	-1.0	-44.60	298.66	-3.29	-47.89
NS(=O)(=O)NC1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1	REAL300020219008	1	33	-1.0	-44.61	298.72	-3.28	-47.89
CCOC(=O)[C@]12CCN(C(=O)CCC3=N[N-]N=N3)[C@H]1CCCC2	REAL300020219009	0	45	-1.0	-46.77	349.08	5.82	-40.95
CCOC(=O)[C@]12CCN(C(=O)CCC3=NN=N[N-]3)[C@H]1CCCC2	REAL300020219009	1	45	-1.0	-46.74	349.13	5.83	-40.91
COC(=O)C1CN(C(=O)CCC2=N[N-]N=N2)C2(C1)CCOCC2	REAL300020219010	0	43	-1.0	-40.03	329.61	3.74	-36.29
COC(=O)C1CN(C(=O)CCC2=NN=N[N-]2)C2(C1)CCOCC2	REAL300020219010	1	43	-1.0	-40.03	329.66	3.75	-36.28
CCOC(=O)[C@]12CCCC[C@@H]1N(C(=O)CCC1=N[N-]N=N1)CCC2	REAL300020219011	0	48	-1.0	-47.92	354.63	6.70	-41.22
CCOC(=O)[C@]12CCCC[C@@H]1N(C(=O)CCC1=NN=N[N-]1)CCC2	REAL300020219011	1	48	-1.0	-47.94	354.68	6.72	-41.22
O=C(CCC1=N[N-]N=N1)N[N-]C(=O)C1=NC=C(Br)C=N1	REAL300020219012	0	27	-2.0	-93.46	283.09	-1.31	-94.77
O=C(CCC1=NN=N[N-]1)N[N-]C(=O)C1=NC=C(Br)C=N1	REAL300020219012	1	27	-2.0	-93.44	283.15	-1.30	-94.74
CCC(NC(=O)CCC1=N[N-]N=N1)C1CCC(F)(F)CC1	REAL300020219013	0	41	-1.0	-41.63	321.89	4.59	-37.04
CCC(NC(=O)CCC1=NN=N[N-]1)C1CCC(F)(F)CC1	REAL300020219013	1	41	-1.0	-41.62	321.95	4.61	-37.01
CCC(NC(=O)CCC1=N[N-]N=N1)C1CCC(C(F)(F)F)CC1	REAL300020219014	0	44	-1.0	-42.46	341.11	5.13	-37.33
CCC(NC(=O)CCC1=NN=N[N-]1)C1CCC(C(F)(F)F)CC1	REAL300020219014	1	44	-1.0	-42.45	341.17	5.15	-37.30
O=C(CCC1=N[N-]N=N1)N1CCCC1C1=C(F)C=CC(Cl)=C1F	REAL300020219015	0	36	-1.0	-42.29	321.82	6.77	-35.52
O=C(CCC1=NN=N[N-]1)N1CCCC1C1=C(F)C=CC(Cl)=C1F	REAL300020219015	1	36	-1.0	-42.31	321.88	6.79	-35.52
COC1=CC(OC)=C(C2CCCN2C(=O)CCC2=N[N-]N=N2)C(OC)=C1	REAL300020219016	0	48	-1.0	-45.68	379.97	4.66	-41.02
COC1=CC(OC)=C(C2CCCN2C(=O)CCC2=NN=N[N-]2)C(OC)=C1	REAL300020219016	1	48	-1.0	-45.66	380.03	4.68	-40.98
O=C(CCC1=N[N-]N=N1)NC1=CC=C(N2CCN(CC(F)(F)F)CC2)C=C1	REAL300020219017	0	46	-1.0	-42.23	368.84	2.00	-40.23
O=C(CCC1=NN=N[N-]1)NC1=CC=C(N2CCN(CC(F)(F)F)CC2)C=C1	REAL300020219017	1	46	-1.0	-42.27	368.90	2.02	-40.25
CC(C)(C)C(CS(C)(=O)=O)NC(=O)CCC1=N[N-]N=N1	REAL300020219018	0	40	-1.0	-53.59	324.53	0.40	-53.19
CC(C)(C)C(CS(C)(=O)=O)NC(=O)CCC1=NN=N[N-]1	REAL300020219018	1	40	-1.0	-53.62	324.59	0.41	-53.21
O=C(CCC1=N[N-]N=N1)NC1(C2=CC=CC=C2Br)CC1	REAL300020219019	0	33	-1.0	-39.41	301.14	4.33	-35.08
O=C(CCC1=NN=N[N-]1)NC1(C2=CC=CC=C2Br)CC1	REAL300020219019	1	33	-1.0	-39.43	301.20	4.34	-35.09
COC1=CC2=NC(NC(=O)CCC3=N[N-]N=N3)=CC(C)=C2C=C1	REAL300020219020	0	38	-1.0	-52.41	321.39	4.26	-48.15
COC1=CC2=NC(NC(=O)CCC3=NN=N[N-]3)=CC(C)=C2C=C1	REAL300020219020	1	38	-1.0	-52.39	321.45	4.28	-48.11
CC1CCC(CNC(=O)C(F)(F)F)N(C(=O)CCC2=NN=N[N-]2)C1	REAL300020219021	0	42	-1.0	-41.45	346.79	3.78	-37.67
CC1CCC(CNC(=O)C(F)(F)F)N(C(=O)CCC2=N[N-]N=N2)C1	REAL300020219021	1	42	-1.0	-41.49	346.73	3.77	-37.72
CC1CCC(C[N-]C(=O)C(F)(F)F)N(C(=O)CCC2=N[N-]N=N2)C1	REAL300020219021	1	41	-2.0	-95.01	340.00	2.40	-92.61
CSCC(NC(=O)CCC1=N[N-]N=N1)C1=CC=CC=C1Cl	REAL300020219022	0	36	-1.0	-41.93	334.69	5.70	-36.23
CSCC(NC(=O)CCC1=NN=N[N-]1)C1=CC=CC=C1Cl	REAL300020219022	1	36	-1.0	-41.91	334.74	5.72	-36.19
COC(=O)C[C@@H]1CN(C(=O)CCC2=N[N-]N=N2)[C@H]2COC[C@@H]2O1	REAL300020219023	0	41	-1.0	-43.21	333.20	1.90	-41.31
COC(=O)C[C@@H]1CN(C(=O)CCC2=NN=N[N-]2)[C@H]2COC[C@@H]2O1	REAL300020219023	1	41	-1.0	-43.19	333.26	1.91	-41.28
COC(=O)C1CN(C(=O)CCC2=N[N-]N=N2)C2(CCC2)CO1	REAL300020219024	0	40	-1.0	-40.17	321.20	3.39	-36.78
COC(=O)C1CN(C(=O)CCC2=NN=N[N-]2)C2(CCC2)CO1	REAL300020219024	1	40	-1.0	-40.24	321.26	3.41	-36.83
COC(=O)[C@@]1(CNC(=O)CCC2=N[N-]N=N2)C[C@@H]1C(F)(F)F	REAL300020219025	0	35	-1.0	-42.87	313.40	3.41	-39.46
COC(=O)[C@@]1(CNC(=O)CCC2=NN=N[N-]2)C[C@@H]1C(F)(F)F	REAL300020219025	1	35	-1.0	-42.88	313.46	3.43	-39.45
O=C(CCC1=N[N-]N=N1)NC1=CC(C(F)(F)F)=C(Cl)C=C1O	REAL300020219026	0	30	-1.0	-39.72	293.66	1.26	-38.46
O=C(CCC1=NN=N[N-]1)NC1=CC(C(F)(F)F)=C(Cl)C=C1O	REAL300020219026	1	30	-1.0	-39.74	293.72	1.27	-38.47
CC1=CC(O)=C(NC(=O)CCC2=N[N-]N=N2)C=C1C(F)(F)F	REAL300020219027	0	33	-1.0	-41.18	296.20	1.36	-39.82
CC1=CC(O)=C(NC(=O)CCC2=NN=N[N-]2)C=C1C(F)(F)F	REAL300020219027	1	33	-1.0	-41.15	296.26	1.38	-39.77
CN(C)S(=O)(=O)C1=CC=C(O)C(NC(=O)CCC2=N[N-]N=N2)=C1	REAL300020219028	0	38	-1.0	-47.77	336.59	-2.16	-49.93
CN(C)S(=O)(=O)C1=CC=C(O)C(NC(=O)CCC2=NN=N[N-]2)=C1	REAL300020219028	1	38	-1.0	-47.75	336.64	-2.15	-49.90
CN(C)S(=O)(=O)C1=CC=C([O-])C(NC(=O)CCC2=N[N-]N=N2)=C1	REAL300020219028	1	37	-2.0	-91.33	332.93	-1.39	-92.72
CN(C)S(=O)(=O)C1=CC=C([O-])C(NC(=O)CCC2=NN=N[N-]2)=C1	REAL300020219028	1	37	-2.0	-91.28	332.98	-1.38	-92.66
CCNS(=O)(=O)C1=CC=C(O)C(NC(=O)CCC2=N[N-]N=N2)=C1	REAL300020219029	0	38	-1.0	-48.00	338.64	-3.14	-51.14
CCNS(=O)(=O)C1=CC=C(O)C(NC(=O)CCC2=NN=N[N-]2)=C1	REAL300020219029	1	38	-1.0	-48.00	338.69	-3.12	-51.12
CCNS(=O)(=O)C1=CC=C([O-])C(NC(=O)CCC2=N[N-]N=N2)=C1	REAL300020219029	1	37	-2.0	-90.42	335.07	-2.37	-92.79
CCNS(=O)(=O)C1=CC=C([O-])C(NC(=O)CCC2=NN=N[N-]2)=C1	REAL300020219029	1	37	-2.0	-90.38	335.13	-2.35	-92.73
CC(C)(C)C1=CC=CC=C1C(NC(=O)CCC1=N[N-]N=N1)C1=CC=C(Cl)C=C1	REAL300020219030	0	51	-1.0	-39.29	396.37	8.28	-31.01
CC(C)(C)C1=CC=CC=C1C(NC(=O)CCC1=NN=N[N-]1)C1=CC=C(Cl)C=C1	REAL300020219030	1	51	-1.0	-39.32	396.42	8.29	-31.03
CCOC(=O)C1=NOC2=C1CN(C(=O)CCC1=N[N-]N=N1)CC2	REAL300020219031	0	38	-1.0	-43.63	326.70	4.06	-39.57
CCOC(=O)C1=NOC2=C1CN(C(=O)CCC1=NN=N[N-]1)CC2	REAL300020219031	1	38	-1.0	-43.60	326.76	4.08	-39.52
CN(C(=O)CCC1=N[N-]N=N1)[C@H]1CC[C@H](C2=CC=CC=C2)CC1	REAL300020219032	0	45	-1.0	-40.51	350.84	7.62	-32.89
CN(C(=O)CCC1=NN=N[N-]1)[C@H]1CC[C@H](C2=CC=CC=C2)CC1	REAL300020219032	1	45	-1.0	-40.50	350.90	7.64	-32.86
CCN(C[C@@H](C)NC(=O)OC(C)(C)C)C(=O)CCC1=N[N-]N=N1	REAL300020219033	0	48	-1.0	-42.26	376.79	3.88	-38.38
CCN(C[C@@H](C)NC(=O)OC(C)(C)C)C(=O)CCC1=NN=N[N-]1	REAL300020219033	1	48	-1.0	-42.30	376.85	3.90	-38.40
CC(C)(C)OC(=O)N1CCC2(CNC(=O)C2NC(=O)CCC2=N[N-]N=N2)CC1	REAL300020219034	0	54	-1.0	-52.84	412.39	1.58	-51.26
CC(C)(C)OC(=O)N1CCC2(CNC(=O)C2NC(=O)CCC2=NN=N[N-]2)CC1	REAL300020219034	1	54	-1.0	-52.83	412.45	1.60	-51.23
CC1=CN=C(C(O)(CCNC(=O)CCC2=NN=N[N-]2)C(F)(F)F)O1	REAL300020219035	0	38	-1.0	-43.47	340.69	-1.82	-45.29
CC1=CN=C(C(O)(CCNC(=O)CCC2=N[N-]N=N2)C(F)(F)F)O1	REAL300020219035	1	38	-1.0	-43.48	340.64	-1.83	-45.31
CC(C)(C)OC(=O)N1[C@H](CNC(=O)CCC2=N[N-]N=N2)COC1(C)C	REAL300020219036	0	50	-1.0	-41.26	388.71	2.36	-38.90
CC(C)(C)OC(=O)N1[C@H](CNC(=O)CCC2=NN=N[N-]2)COC1(C)C	REAL300020219036	1	50	-1.0	-41.25	388.77	2.37	-38.88
O=C(CCC1=N[N-]N=N1)NCCC1=CNC2=CC=CC(OCC3=CC=CC=C3)=C12	REAL300020219037	0	50	-1.0	-45.78	420.90	6.84	-38.94
O=C(CCC1=NN=N[N-]1)NCCC1=CNC2=CC=CC(OCC3=CC=CC=C3)=C12	REAL300020219037	1	50	-1.0	-45.74	420.96	6.85	-38.89
CC1=C(NC(=O)CCC2=N[N-]N=N2)C=CC=C1S(C)(=O)=O	REAL300020219038	0	35	-1.0	-46.99	298.86	0.87	-46.12
CC1=C(NC(=O)CCC2=NN=N[N-]2)C=CC=C1S(C)(=O)=O	REAL300020219038	1	35	-1.0	-47.04	298.92	0.89	-46.15
COC(=O)C12CCC(CNC(=O)CCC3=N[N-]N=N3)(C1)OC2	REAL300020219039	0	40	-1.0	-42.69	333.23	1.64	-41.05
COC(=O)C12CCC(CNC(=O)CCC3=NN=N[N-]3)(C1)OC2	REAL300020219039	1	40	-1.0	-42.64	333.29	1.66	-40.98
O=C(CCC1=N[N-]N=N1)NC1=CC(S(=O)(=O)N2CCOCC2)=CC=C1O	REAL300020219040	0	43	-1.0	-47.66	368.68	-2.55	-50.21
O=C(CCC1=NN=N[N-]1)NC1=CC(S(=O)(=O)N2CCOCC2)=CC=C1O	REAL300020219040	1	43	-1.0	-47.76	368.74	-2.54	-50.30
O=C(CCC1=N[N-]N=N1)NC1=CC(S(=O)(=O)N2CCOCC2)=CC=C1[O-]	REAL300020219040	1	42	-2.0	-91.24	366.60	-1.83	-93.07
O=C(CCC1=NN=N[N-]1)NC1=CC(S(=O)(=O)N2CCOCC2)=CC=C1[O-]	REAL300020219040	1	42	-2.0	-91.24	366.66	-1.81	-93.05
COC(=O)C1=C(C2CCCN(C(=O)CCC3=NN=N[N-]3)C2)OC=N1	REAL300020219041	0	41	-1.0	-47.59	343.91	1.72	-45.87
COC(=O)C1=C(C2CCCN(C(=O)CCC3=N[N-]N=N3)C2)OC=N1	REAL300020219041	1	41	-1.0	-47.56	343.85	1.71	-45.85
CC1=CC=C2C(=C1)N(C(=O)CCC1=N[N-]N=N1)CCN2C1CC1	REAL300020219042	0	42	-1.0	-40.20	328.55	5.38	-34.82
CC1=CC=C2C(=C1)N(C(=O)CCC1=NN=N[N-]1)CCN2C1CC1	REAL300020219042	1	42	-1.0	-40.19	328.61	5.39	-34.80
O=C(CCC1=N[N-]N=N1)NC1=CC=C(N2CCOCC2)C=C1Cl	REAL300020219043	0	39	-1.0	-39.07	330.49	2.02	-37.05
O=C(CCC1=NN=N[N-]1)NC1=CC=C(N2CCOCC2)C=C1Cl	REAL300020219043	1	39	-1.0	-39.09	330.54	2.04	-37.05
CC(C)C1=CC=C(C(F)(F)F)C=C1NC(=O)CCC1=N[N-]N=N1	REAL300020219044	0	38	-1.0	-40.76	327.58	5.74	-35.02
CC(C)C1=CC=C(C(F)(F)F)C=C1NC(=O)CCC1=NN=N[N-]1	REAL300020219044	1	38	-1.0	-40.75	327.64	5.76	-34.99
O=C(CCC1=N[N-]N=N1)NC1=CC=C(N2CCCNS2(=O)=O)C=C1	REAL300020219045	0	40	-1.0	-46.94	337.93	-0.44	-47.38
O=C(CCC1=NN=N[N-]1)NC1=CC=C(N2CCCNS2(=O)=O)C=C1	REAL300020219045	1	40	-1.0	-46.97	337.99	-0.43	-47.40
O=C(CCC1=N[N-]N=N1)NC1CC2CC1CC2(O)C(F)(F)F	REAL300020219046	0	37	-1.0	-42.29	296.42	1.18	-41.11
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CC(C)(C)OC(=O)NC1CN(C(=O)CCC2=NN=N[N-]2)C(C)(C)C1	REAL300020219099	1	49	-1.0	-45.01	382.13	3.23	-41.78
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CCOC(=O)C(CC1=CC=C(Br)N=C1)NC(=O)CCC1=N[N-]N=N1	REAL300020219100	1	40	-1.0	-46.98	369.53	4.33	-42.65
COC1=CC=CC(C(NC(=O)CCC2=N[N-]N=N2)C2CCCCC2)=C1	REAL300020219101	0	49	-1.0	-40.73	372.87	5.96	-34.77
COC1=CC=CC(C(NC(=O)CCC2=NN=N[N-]2)C2CCCCC2)=C1	REAL300020219101	1	49	-1.0	-40.73	372.93	5.98	-34.75
CN1N=CC=C1C1CN(C(=O)OC(C)(C)C)CCN1C(=O)CCC1=N[N-]N=N1	REAL300020219102	0	53	-1.0	-43.86	403.41	4.65	-39.21
CN1N=CC=C1C1CN(C(=O)OC(C)(C)C)CCN1C(=O)CCC1=NN=N[N-]1	REAL300020219102	1	53	-1.0	-43.87	403.47	4.67	-39.20
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COCCOC1=CC=C(Cl)C=C1NC(=O)CCC1=NN=N[N-]1	REAL300020219104	1	37	-1.0	-42.48	331.76	2.72	-39.76
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COC1=CC(NC(=O)CCC2=N[N-]N=N2)=CC=C1S(N)(=O)=O	REAL300020219106	0	35	-1.0	-45.89	313.89	-2.65	-48.54
COC1=CC(NC(=O)CCC2=NN=N[N-]2)=CC=C1S(N)(=O)=O	REAL300020219106	1	35	-1.0	-45.90	313.95	-2.64	-48.54
CC(C)N(CC1=NOC(C2CC2)=C1)C(=O)CCC1=N[N-]N=N1	REAL300020219107	0	41	-1.0	-46.58	334.40	5.65	-40.93
CC(C)N(CC1=NOC(C2CC2)=C1)C(=O)CCC1=NN=N[N-]1	REAL300020219107	1	41	-1.0	-46.58	334.44	5.66	-40.92
CC(C)(C)OC(=O)NC1CC2(C1)CCC(NC(=O)CCC1=N[N-]N=N1)CC2	REAL300020219108	0	56	-1.0	-43.28	429.90	3.79	-39.49
CC(C)(C)OC(=O)NC1CC2(C1)CCC(NC(=O)CCC1=NN=N[N-]1)CC2	REAL300020219108	1	56	-1.0	-43.28	429.96	3.80	-39.48
COC(=O)C1(C2=CC=C(NC(=O)CCC3=N[N-]N=N3)C=C2)CC1	REAL300020219109	0	39	-1.0	-42.31	330.06	5.20	-37.11
COC(=O)C1(C2=CC=C(NC(=O)CCC3=NN=N[N-]3)C=C2)CC1	REAL300020219109	1	39	-1.0	-42.33	330.12	5.21	-37.12
O=C(CCC1=N[N-]N=N1)NC1CC[Si]2(CCCCC2)CC1	REAL300020219110	0	45	-1.0	-41.30	347.91	6.79	-34.51
O=C(CCC1=NN=N[N-]1)NC1CC[Si]2(CCCCC2)CC1	REAL300020219110	1	45	-1.0	-41.27	347.96	6.81	-34.46
CC(C)(C)OC(=O)N1CCN(C(=O)CCC2=N[N-]N=N2)C(C2=CC=CC=N2)C1	REAL300020219111	0	52	-1.0	-42.65	405.76	5.60	-37.05
CC(C)(C)OC(=O)N1CCN(C(=O)CCC2=NN=N[N-]2)C(C2=CC=CC=N2)C1	REAL300020219111	1	52	-1.0	-42.62	405.82	5.62	-37.00
CC1CCC(CNC(=O)OC(C)(C)C)CN1C(=O)CCC1=N[N-]N=N1	REAL300020219112	0	52	-1.0	-42.78	396.88	3.88	-38.90
CC1CCC(CNC(=O)OC(C)(C)C)CN1C(=O)CCC1=NN=N[N-]1	REAL300020219112	1	52	-1.0	-42.80	396.94	3.89	-38.91
CC(C)(C)OC(=O)N1CCC2CCN(C(=O)CCC3=N[N-]N=N3)C2C1	REAL300020219113	0	50	-1.0	-47.69	382.54	4.99	-42.70
CC(C)(C)OC(=O)N1CCC2CCN(C(=O)CCC3=NN=N[N-]3)C2C1	REAL300020219113	1	50	-1.0	-47.63	382.60	5.00	-42.63
CN(C(=O)OC(C)(C)C)C1=CC=CC(NC(=O)CCC2=N[N-]N=N2)=C1	REAL300020219114	0	46	-1.0	-42.25	377.13	5.07	-37.18
CN(C(=O)OC(C)(C)C)C1=CC=CC(NC(=O)CCC2=NN=N[N-]2)=C1	REAL300020219114	1	46	-1.0	-42.23	377.18	5.08	-37.15
O=C(CCC1=N[N-]N=N1)NC(C1=CC=C(C(F)(F)F)C=C1)C(F)(F)F	REAL300020219115	0	35	-1.0	-39.41	328.36	4.85	-34.56
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CC[N@H+](CCNC(=O)CCC1=N[N-]N=N1)CC1=CC=CC(Br)=C1	REAL300020219117	0	44	0.0	-66.29	371.75	5.89	-60.40
CC[N@@H+](CCNC(=O)CCC1=N[N-]N=N1)CC1=CC=CC(Br)=C1	REAL300020219117	1	44	0.0	-64.36	371.48	5.87	-58.49
CC[N@H+](CCNC(=O)CCC1=NN=N[N-]1)CC1=CC=CC(Br)=C1	REAL300020219117	1	44	0.0	-66.29	371.81	5.90	-60.39
CC[N@@H+](CCNC(=O)CCC1=NN=N[N-]1)CC1=CC=CC(Br)=C1	REAL300020219117	1	44	0.0	-64.37	371.54	5.89	-58.48
CC(C)(C)OC(=O)N1CCOC2(CCC(NC(=O)CCC3=N[N-]N=N3)CC2)C1	REAL300020219118	0	57	-1.0	-43.28	426.00	4.66	-38.62
CC(C)(C)OC(=O)N1CCOC2(CCC(NC(=O)CCC3=NN=N[N-]3)CC2)C1	REAL300020219118	1	57	-1.0	-43.27	426.06	4.68	-38.59
COC(=O)C1=C(C)C=C(NC(=O)CCC2=N[N-]N=N2)C=C1F	REAL300020219119	0	35	-1.0	-44.32	313.64	3.91	-40.41
COC(=O)C1=C(C)C=C(NC(=O)CCC2=NN=N[N-]2)C=C1F	REAL300020219119	1	35	-1.0	-44.33	313.70	3.93	-40.40
COC(=O)C1=NC=CC2=C(NC(=O)CCC3=NN=N[N-]3)C=CC=C21	REAL300020219120	0	37	-1.0	-42.22	319.63	3.69	-38.53
COC(=O)C1=NC=CC2=C(NC(=O)CCC3=N[N-]N=N3)C=CC=C21	REAL300020219120	1	37	-1.0	-42.19	319.57	3.67	-38.52
COC1=CC=C(C2(NC(=O)CCC3=N[N-]N=N3)CCCCC2)C=C1	REAL300020219121	0	46	-1.0	-42.32	353.51	5.61	-36.71
COC1=CC=C(C2(NC(=O)CCC3=NN=N[N-]3)CCCCC2)C=C1	REAL300020219121	1	46	-1.0	-42.32	353.57	5.62	-36.70
CC(C)(C)OC(=O)N1CC2CCCC(C1)N2C(=O)CCC1=N[N-]N=N1	REAL300020219122	0	50	-1.0	-39.77	370.94	6.03	-33.74
CC(C)(C)OC(=O)N1CC2CCCC(C1)N2C(=O)CCC1=NN=N[N-]1	REAL300020219122	1	50	-1.0	-39.79	371.00	6.05	-33.74
COC1=CC(Br)=C(Cl)C=C1NC(=O)CCC1=N[N-]N=N1	REAL300020219123	0	30	-1.0	-38.99	295.59	3.07	-35.92
COC1=CC(Br)=C(Cl)C=C1NC(=O)CCC1=NN=N[N-]1	REAL300020219123	1	30	-1.0	-38.96	295.65	3.08	-35.88
COC(=O)C(CC1=COC2=CC=CC=C12)NC(=O)CCC1=N[N-]N=N1	REAL300020219124	0	41	-1.0	-46.71	356.56	5.03	-41.68
COC(=O)C(CC1=COC2=CC=CC=C12)NC(=O)CCC1=NN=N[N-]1	REAL300020219124	1	41	-1.0	-46.67	356.62	5.05	-41.62
CC(C)(C)OC(=O)NCCN1C=C(NC(=O)CCC2=NN=N[N-]2)C=N1	REAL300020219125	0	46	-1.0	-50.03	381.83	0.96	-49.07
CC(C)(C)OC(=O)NCCN1C=C(NC(=O)CCC2=N[N-]N=N2)C=N1	REAL300020219125	1	46	-1.0	-50.01	381.78	0.95	-49.06
O=C(CCC1=N[N-]N=N1)NC1=NC(C2=CC=CC=N2)=NN1C1=CC=CC=C1	REAL300020219126	0	41	-1.0	-49.10	361.11	8.22	-40.88
O=C(CCC1=NN=N[N-]1)NC1=NC(C2=CC=CC=N2)=NN1C1=CC=CC=C1	REAL300020219126	1	41	-1.0	-49.10	361.17	8.24	-40.86
O=C(CCC1=N[N-]N=N1)NCC1=NC=C(C2=CC=CC=C2)S1	REAL300020219127	0	35	-1.0	-40.79	320.37	3.51	-37.28
O=C(CCC1=NN=N[N-]1)NCC1=NC=C(C2=CC=CC=C2)S1	REAL300020219127	1	35	-1.0	-40.79	320.43	3.52	-37.27
CCSC1=CC(C(=O)OC)=CC=C1NC(=O)CCC1=N[N-]N=N1	REAL300020219128	0	39	-1.0	-39.86	345.87	5.23	-34.63
CCSC1=CC(C(=O)OC)=CC=C1NC(=O)CCC1=NN=N[N-]1	REAL300020219128	1	39	-1.0	-39.88	345.93	5.25	-34.63
COC1=CC=CC(C2(NC(=O)CCC3=N[N-]N=N3)CCCCC2)=C1	REAL300020219129	0	46	-1.0	-43.43	353.50	5.61	-37.82
COC1=CC=CC(C2(NC(=O)CCC3=NN=N[N-]3)CCCCC2)=C1	REAL300020219129	1	46	-1.0	-43.42	353.55	5.62	-37.80
CC12CC3(C)CC(F)(C1)CC(NC(=O)CCC1=N[N-]N=N1)(C2)C3	REAL300020219130	0	46	-1.0	-41.48	339.74	5.02	-36.46
CC12CC3(C)CC(F)(C1)CC(NC(=O)CCC1=NN=N[N-]1)(C2)C3	REAL300020219130	1	46	-1.0	-41.49	339.80	5.04	-36.45
CCOC(=O)C1CN(C(=O)OC(C)(C)C)CC1NC(=O)CCC1=N[N-]N=N1	REAL300020219131	0	52	-1.0	-46.00	420.19	4.54	-41.46
CCOC(=O)C1CN(C(=O)OC(C)(C)C)CC1NC(=O)CCC1=NN=N[N-]1	REAL300020219131	1	52	-1.0	-45.99	420.25	4.56	-41.43
COC(=O)C1CCN(C(=O)OC(C)(C)C)CCC1NC(=O)CCC1=N[N-]N=N1	REAL300020219132	0	55	-1.0	-45.63	411.02	6.02	-39.61
COC(=O)C1CCN(C(=O)OC(C)(C)C)CCC1NC(=O)CCC1=NN=N[N-]1	REAL300020219132	1	55	-1.0	-45.63	411.08	6.04	-39.59
CC(C)(C)OC(=O)N1CCC2=CC=CC=C2C(NC(=O)CCC2=N[N-]N=N2)C1	REAL300020219133	0	53	-1.0	-42.08	408.71	7.53	-34.55
CC(C)(C)OC(=O)N1CCC2=CC=CC=C2C(NC(=O)CCC2=NN=N[N-]2)C1	REAL300020219133	1	53	-1.0	-42.14	408.77	7.54	-34.60
CC1=C(C2=CC=C(OC(F)F)C=C2)C(NC(=O)CCC2=N[N-]N=N2)=NN1	REAL300020219134	0	40	-1.0	-46.96	354.19	3.96	-43.00
CC1=C(C2=CC=C(OC(F)F)C=C2)C(NC(=O)CCC2=NN=N[N-]2)=NN1	REAL300020219134	1	40	-1.0	-46.91	354.24	3.97	-42.94
CN(C(=O)CCC1=N[N-]N=N1)C(CC1=CC=C(F)C=C1)C1=NC=CN1C	REAL300020219135	0	45	-1.0	-44.33	375.02	7.95	-36.38
CN(C(=O)CCC1=NN=N[N-]1)C(CC1=CC=C(F)C=C1)C1=NC=CN1C	REAL300020219135	1	45	-1.0	-44.33	375.07	7.97	-36.36
C=CCC1C(NC(=O)CCC2=N[N-]N=N2)CC1OC(C)(C)C	REAL300020219136	0	46	-1.0	-39.28	370.15	4.12	-35.16
C=CCC1C(NC(=O)CCC2=NN=N[N-]2)CC1OC(C)(C)C	REAL300020219136	1	46	-1.0	-39.28	370.21	4.14	-35.14
COC(=O)C1=CC(C#N)=CC(NC(=O)CCC2=N[N-]N=N2)=C1	REAL300020219137	0	33	-1.0	-44.90	307.13	3.63	-41.27
COC(=O)C1=CC(C#N)=CC(NC(=O)CCC2=NN=N[N-]2)=C1	REAL300020219137	1	33	-1.0	-44.88	307.19	3.64	-41.24
COC(=O)C1=CC=C(CNC(=O)CCC2=N[N-]N=N2)C(OC)=C1	REAL300020219138	0	39	-1.0	-42.98	340.78	2.68	-40.30
COC(=O)C1=CC=C(CNC(=O)CCC2=NN=N[N-]2)C(OC)=C1	REAL300020219138	1	39	-1.0	-42.98	340.83	2.70	-40.28
COC(=O)C1=CC(CNC(=O)CCC2=N[N-]N=N2)=CC=C1C(F)(F)F	REAL300020219139	0	38	-1.0	-43.47	342.57	4.15	-39.32
COC(=O)C1=CC(CNC(=O)CCC2=NN=N[N-]2)=CC=C1C(F)(F)F	REAL300020219139	1	38	-1.0	-43.52	342.63	4.17	-39.35
O=C(CCC1=N[N-]N=N1)NC1(C2=CC=CC=C2F)CCCC1	REAL300020219140	0	39	-1.0	-39.62	309.28	4.88	-34.74
O=C(CCC1=NN=N[N-]1)NC1(C2=CC=CC=C2F)CCCC1	REAL300020219140	1	39	-1.0	-39.61	309.34	4.90	-34.71
COC(=O)C1CCC2(CCOCC2)CN1C(=O)CCC1=N[N-]N=N1	REAL300020219141	0	46	-1.0	-47.04	346.98	4.92	-42.12
COC(=O)C1CCC2(CCOCC2)CN1C(=O)CCC1=NN=N[N-]1	REAL300020219141	1	46	-1.0	-47.00	347.04	4.94	-42.06
COC1=CC=C([C@H](C)NC(=O)CCC2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL300020219142	0	38	-1.0	-46.14	330.60	4.27	-41.87
COC1=CC=C([C@H](C)NC(=O)CCC2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL300020219142	1	38	-1.0	-46.16	330.66	4.28	-41.88
CN(C(=O)CCC1=N[N-]N=N1)C1CS(=O)(=O)C2=CC=CC=C21	REAL300020219143	0	36	-1.0	-43.51	306.53	1.94	-41.57
CN(C(=O)CCC1=NN=N[N-]1)C1CS(=O)(=O)C2=CC=CC=C21	REAL300020219143	1	36	-1.0	-43.52	306.59	1.96	-41.56
CC(C)(C)OC(=O)N1CCOCC2(COCCN2C(=O)CCC2=N[N-]N=N2)C1	REAL300020219144	0	55	-1.0	-44.40	389.58	4.30	-40.10
CC(C)(C)OC(=O)N1CCOCC2(COCCN2C(=O)CCC2=NN=N[N-]2)C1	REAL300020219144	1	55	-1.0	-44.42	389.64	4.31	-40.11
COC(=O)C(CC1=CC=C(Cl)N=C1)NC(=O)CCC1=NN=N[N-]1	REAL300020219145	0	37	-1.0	-47.32	343.13	3.35	-43.97
COC(=O)C(CC1=CC=C(Cl)N=C1)NC(=O)CCC1=N[N-]N=N1	REAL300020219145	1	37	-1.0	-47.35	343.07	3.34	-44.01
C[C@H](CC1=CC=C2OCCOC2=C1)NC(=O)CCC1=N[N-]N=N1	REAL300020219146	0	41	-1.0	-45.41	341.80	3.63	-41.78
C[C@H](CC1=CC=C2OCCOC2=C1)NC(=O)CCC1=NN=N[N-]1	REAL300020219146	1	41	-1.0	-45.40	341.86	3.64	-41.76
O=C(CCC1=N[N-]N=N1)NC1CC2(CC(COCC3=CC=CC=C3)C2)C1	REAL300020219147	0	50	-1.0	-42.50	409.71	6.69	-35.81
O=C(CCC1=NN=N[N-]1)NC1CC2(CC(COCC3=CC=CC=C3)C2)C1	REAL300020219147	1	50	-1.0	-42.52	409.76	6.70	-35.82
CCN(CC(C)NC(=O)OC(C)(C)C)C(=O)CCC1=N[N-]N=N1	REAL300020219148	0	48	-1.0	-45.60	377.15	3.77	-41.83
CCN(CC(C)NC(=O)OC(C)(C)C)C(=O)CCC1=NN=N[N-]1	REAL300020219148	1	48	-1.0	-45.60	377.20	3.79	-41.81
CCOC1=CC=C(C2(NC(=O)CCC3=N[N-]N=N3)CC2)C=C1	REAL300020219149	0	40	-1.0	-41.52	333.52	4.48	-37.04
CCOC1=CC=C(C2(NC(=O)CCC3=NN=N[N-]3)CC2)C=C1	REAL300020219149	1	40	-1.0	-41.54	333.58	4.49	-37.05
COC(=O)C1=NNC(C2CCN(C(=O)CCC3=N[N-]N=N3)CC2)=C1	REAL300020219150	0	42	-1.0	-44.64	350.67	3.46	-41.18
COC(=O)C1=NNC(C2CCN(C(=O)CCC3=NN=N[N-]3)CC2)=C1	REAL300020219150	1	42	-1.0	-44.65	350.72	3.48	-41.17
CC1=C(CNC(=O)CCC2=NN=N[N-]2)N=C(C2=CC=C(F)C=C2)O1	REAL300020219151	0	38	-1.0	-41.48	340.41	1.94	-39.54
CC1=C(CNC(=O)CCC2=N[N-]N=N2)N=C(C2=CC=C(F)C=C2)O1	REAL300020219151	1	38	-1.0	-41.50	340.35	1.92	-39.58
O=C(CCC1=N[N-]N=N1)NC(CO)C1=CC=CC(I)=C1	REAL300020219152	0	33	-1.0	-39.30	311.69	1.44	-37.86
O=C(CCC1=NN=N[N-]1)NC(CO)C1=CC=CC(I)=C1	REAL300020219152	1	33	-1.0	-39.27	311.74	1.46	-37.81
O=C(CCC1=NN=N[N-]1)NC1=CC=C(OC(F)(F)C(F)(F)F)C=N1	REAL300020219153	0	32	-1.0	-44.64	308.05	3.07	-41.57
O=C(CCC1=N[N-]N=N1)NC1=CC=C(OC(F)(F)C(F)(F)F)C=N1	REAL300020219153	1	32	-1.0	-44.62	307.99	3.05	-41.57
CCOC(=O)C1CCN(C(=O)CCC2=N[N-]N=N2)C12CCS(=O)(=O)CC2	REAL300020219154	0	48	-1.0	-51.49	372.36	3.04	-48.45
CCOC(=O)C1CCN(C(=O)CCC2=NN=N[N-]2)C12CCS(=O)(=O)CC2	REAL300020219154	1	48	-1.0	-51.49	372.42	3.06	-48.43
COC(=O)C12CCC(CC1NC(=O)CCC1=N[N-]N=N1)C2(C)C	REAL300020219155	0	45	-1.0	-40.49	341.94	4.77	-35.72
COC(=O)C12CCC(CC1NC(=O)CCC1=NN=N[N-]1)C2(C)C	REAL300020219155	1	45	-1.0	-40.55	342.00	4.78	-35.77
O=C(CCC1=N[N-]N=N1)N1CCCC2=CC(Br)=CC=C2C1	REAL300020219156	0	36	-1.0	-40.48	309.04	6.22	-34.26
O=C(CCC1=NN=N[N-]1)N1CCCC2=CC(Br)=CC=C2C1	REAL300020219156	1	36	-1.0	-40.50	309.10	6.24	-34.26
CC(C)(C)OC(=O)NCC1CCN(C(=O)CCC2=N[N-]N=N2)C1(C)C	REAL300020219157	0	52	-1.0	-44.13	398.29	3.57	-40.56
CC(C)(C)OC(=O)NCC1CCN(C(=O)CCC2=NN=N[N-]2)C1(C)C	REAL300020219157	1	52	-1.0	-44.16	398.34	3.58	-40.58
O=C(CCC1=N[N-]N=N1)NC1=C(C2=CC=C(Cl)C=C2)SC=C1	REAL300020219158	0	33	-1.0	-40.74	314.65	6.13	-34.61
O=C(CCC1=NN=N[N-]1)NC1=C(C2=CC=C(Cl)C=C2)SC=C1	REAL300020219158	1	33	-1.0	-40.71	314.71	6.15	-34.56
COC1=CC2=CC=C(C[C@@H](C)NC(=O)CCC3=N[N-]N=N3)C=C2C=C1	REAL300020219159	0	45	-1.0	-44.23	372.61	6.02	-38.21
COC1=CC2=CC=C(C[C@@H](C)NC(=O)CCC3=NN=N[N-]3)C=C2C=C1	REAL300020219159	1	45	-1.0	-44.24	372.67	6.04	-38.20
CN(C)S(=O)(=NC(=O)CCC1=N[N-]N=N1)C1=CC=CC=C1	REAL300020219160	0	36	-1.0	-54.34	312.08	2.19	-52.15
CN(C)S(=O)(=NC(=O)CCC1=NN=N[N-]1)C1=CC=CC=C1	REAL300020219160	1	36	-1.0	-54.41	312.14	2.20	-52.21
CC1=CC(CS(N)(=O)=O)=CC=C1NC(=O)CCC1=N[N-]N=N1	REAL300020219161	0	37	-1.0	-51.64	327.43	-0.91	-52.55
CC1=CC(CS(N)(=O)=O)=CC=C1NC(=O)CCC1=NN=N[N-]1	REAL300020219161	1	37	-1.0	-51.65	327.48	-0.90	-52.55
CN1C(=O)NN=C1C1CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300020219162	0	39	-1.0	-47.75	320.30	2.41	-45.34
CN1C(=O)NN=C1C1CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020219162	1	39	-1.0	-47.73	320.35	2.42	-45.31
O=C(CCC1=N[N-]N=N1)N1CCC(CC2=CC=CC(O)=C2)CC1	REAL300020219163	0	43	-1.0	-42.40	344.48	4.18	-38.22
O=C(CCC1=NN=N[N-]1)N1CCC(CC2=CC=CC(O)=C2)CC1	REAL300020219163	1	43	-1.0	-42.44	344.54	4.20	-38.24
CSCC(C1=CC=CC=C1Cl)N(C)C(=O)CCC1=N[N-]N=N1	REAL300020219164	0	39	-1.0	-45.67	346.04	6.92	-38.75
CSCC(C1=CC=CC=C1Cl)N(C)C(=O)CCC1=NN=N[N-]1	REAL300020219164	1	39	-1.0	-45.67	346.10	6.93	-38.74
CCOC1=CC=C(C[C@@H](C)NC(=O)CCC2=N[N-]N=N2)C=C1OC	REAL300020219165	0	46	-1.0	-45.84	377.90	4.60	-41.24
CCOC1=CC=C(C[C@@H](C)NC(=O)CCC2=NN=N[N-]2)C=C1OC	REAL300020219165	1	46	-1.0	-45.82	377.96	4.62	-41.20
CC1=CC=CC(OCC2=CC=CC=C2)=C1NC(=O)CCC1=N[N-]N=N1	REAL300020219166	0	43	-1.0	-44.27	366.51	6.89	-37.38
CC1=CC=CC(OCC2=CC=CC=C2)=C1NC(=O)CCC1=NN=N[N-]1	REAL300020219166	1	43	-1.0	-44.27	366.57	6.90	-37.37
COC1CCC2C(OC)CCC1N2C(=O)CCC1=N[N-]N=N1	REAL300020219167	0	44	-1.0	-42.85	333.60	2.51	-40.34
COC1CCC2C(OC)CCC1N2C(=O)CCC1=NN=N[N-]1	REAL300020219167	1	44	-1.0	-42.84	333.66	2.53	-40.31
O=C(CCC1=NN=N[N-]1)NC1=CN(C2=NC=CC=C2Cl)N=C1	REAL300020219168	0	32	-1.0	-45.45	300.03	3.68	-41.77
O=C(CCC1=N[N-]N=N1)NC1=CN(C2=NC=CC=C2Cl)N=C1	REAL300020219168	1	32	-1.0	-45.44	299.97	3.67	-41.77
CC(CCNC(=O)OC(C)(C)C)N(C)C(=O)CCC1=N[N-]N=N1	REAL300020219169	0	48	-1.0	-48.11	378.92	3.16	-44.95
CC(CCNC(=O)OC(C)(C)C)N(C)C(=O)CCC1=NN=N[N-]1	REAL300020219169	1	48	-1.0	-48.14	378.97	3.17	-44.97
CCOC(=O)C1CN(C(=O)CCC2=N[N-]N=N2)C2=CC=CC=C21	REAL300020219170	0	39	-1.0	-43.17	327.29	6.03	-37.14
CCOC(=O)C1CN(C(=O)CCC2=NN=N[N-]2)C2=CC=CC=C21	REAL300020219170	1	39	-1.0	-43.18	327.35	6.04	-37.14
O=C(CCC1=N[N-]N=N1)NC1=CC2=C(C=C1F)NC(=O)CO2	REAL300020219171	0	32	-1.0	-41.45	287.36	-0.08	-41.53
O=C(CCC1=NN=N[N-]1)NC1=CC2=C(C=C1F)NC(=O)CO2	REAL300020219171	1	32	-1.0	-41.48	287.42	-0.07	-41.55
CC(C)(C)OC(=O)N1CCOCC12CCN(C(=O)CCC1=N[N-]N=N1)CC2	REAL300020219172	0	54	-1.0	-42.03	393.89	4.01	-38.02
CC(C)(C)OC(=O)N1CCOCC12CCN(C(=O)CCC1=NN=N[N-]1)CC2	REAL300020219172	1	54	-1.0	-42.03	393.95	4.02	-38.01
COC(=O)C1=CC=CC(N(C)C(=O)CCC2=N[N-]N=N2)=C1C	REAL300020219173	0	38	-1.0	-43.84	322.07	5.99	-37.85
COC(=O)C1=CC=CC(N(C)C(=O)CCC2=NN=N[N-]2)=C1C	REAL300020219173	1	38	-1.0	-43.83	322.13	6.01	-37.82
O=C(CCC1=N[N-]N=N1)N1CCC2(CC1)CC(=O)NCC2O	REAL300020219174	0	41	-1.0	-46.13	312.82	-1.74	-47.87
O=C(CCC1=NN=N[N-]1)N1CCC2(CC1)CC(=O)NCC2O	REAL300020219174	1	41	-1.0	-46.08	312.88	-1.73	-47.81
COC1=CC=CC=C1[C@H]1C[C@H](NC(=O)CCC2=N[N-]N=N2)C1	REAL300020219175	0	40	-1.0	-41.18	329.28	4.03	-37.15
COC1=CC=CC=C1[C@H]1C[C@H](NC(=O)CCC2=NN=N[N-]2)C1	REAL300020219175	1	40	-1.0	-41.19	329.34	4.04	-37.15
CC(C)C(C)OC1=NN(C)C=C1NC(=O)CCC1=NN=N[N-]1	REAL300020219176	0	42	-1.0	-40.14	345.45	1.43	-38.71
CC(C)C(C)OC1=NN(C)C=C1NC(=O)CCC1=N[N-]N=N1	REAL300020219176	1	42	-1.0	-40.16	345.40	1.42	-38.74
O=C(CCC1=N[N-]N=N1)N1CCS(=O)(=O)N2CCCCCC12	REAL300020219177	0	41	-1.0	-41.01	314.91	1.82	-39.19
O=C(CCC1=NN=N[N-]1)N1CCS(=O)(=O)N2CCCCCC12	REAL300020219177	1	41	-1.0	-41.01	314.96	1.84	-39.17
O=C(CCC1=N[N-]N=N1)N[C@@H]1CCC2=CC(Br)=CC=C2[C@H]1O	REAL300020219178	0	37	-1.0	-42.16	327.16	1.96	-40.20
O=C(CCC1=NN=N[N-]1)N[C@@H]1CCC2=CC(Br)=CC=C2[C@H]1O	REAL300020219178	1	37	-1.0	-42.16	327.21	1.98	-40.18
COC1=CC=C2CN(C(=O)CCC3=N[N-]N=N3)C3(CC3)CC2=C1	REAL300020219179	0	41	-1.0	-40.48	330.86	5.46	-35.02
COC1=CC=C2CN(C(=O)CCC3=NN=N[N-]3)C3(CC3)CC2=C1	REAL300020219179	1	41	-1.0	-40.49	330.92	5.47	-35.02
CC(NC(=O)CCC1=N[N-]N=N1)C1=NN=NN1C1=CC=CC=C1	REAL300020219180	0	37	-1.0	-41.72	320.68	2.44	-39.28
CC(NC(=O)CCC1=NN=N[N-]1)C1=NN=NN1C1=CC=CC=C1	REAL300020219180	1	37	-1.0	-41.71	320.74	2.45	-39.26
COC1=CC([C@@H]2C[C@H]2NC(=O)CCC2=N[N-]N=N2)=C(OC)C=C1C	REAL300020219181	0	44	-1.0	-42.84	363.11	3.50	-39.34
COC1=CC([C@@H]2C[C@H]2NC(=O)CCC2=NN=N[N-]2)=C(OC)C=C1C	REAL300020219181	1	44	-1.0	-42.87	363.17	3.52	-39.35
CC1=CC=C([C@H]2C[C@H](C)CCN2C(=O)CCC2=N[N-]N=N2)O1	REAL300020219182	0	42	-1.0	-39.99	332.30	6.06	-33.93
CC1=CC=C([C@H]2C[C@H](C)CCN2C(=O)CCC2=NN=N[N-]2)O1	REAL300020219182	1	42	-1.0	-39.98	332.36	6.07	-33.91
CCC1=CC=C([C@@H]2C[C@@H](C)CCN2C(=O)CCC2=N[N-]N=N2)O1	REAL300020219183	0	45	-1.0	-39.73	353.89	6.84	-32.89
CCC1=CC=C([C@@H]2C[C@@H](C)CCN2C(=O)CCC2=NN=N[N-]2)O1	REAL300020219183	1	45	-1.0	-39.70	353.94	6.86	-32.84
CCN(CCCN(C)C(=O)CCC1=N[N-]N=N1)C1=CC=CC=C1	REAL300020219184	0	46	-1.0	-41.15	370.66	7.20	-33.95
CCN(CCCN(C)C(=O)CCC1=NN=N[N-]1)C1=CC=CC=C1	REAL300020219184	1	46	-1.0	-41.17	370.71	7.21	-33.96
CCN(C(=O)CCC1=N[N-]N=N1)C1CCC(NC(=O)OC(C)(C)C)CC1	REAL300020219185	0	55	-1.0	-41.15	395.64	4.53	-36.62
CCN(C(=O)CCC1=NN=N[N-]1)C1CCC(NC(=O)OC(C)(C)C)CC1	REAL300020219185	1	55	-1.0	-41.12	395.70	4.54	-36.58
COC(=O)C1=CC=C(NC(=O)CCC2=NN=N[N-]2)C2=CC=NC=C12	REAL300020219186	0	37	-1.0	-41.12	319.13	3.69	-37.43
COC(=O)C1=CC=C(NC(=O)CCC2=N[N-]N=N2)C2=CC=NC=C12	REAL300020219186	1	37	-1.0	-41.14	319.08	3.68	-37.46
O=C(CCC1=N[N-]N=N1)N(CC1=CC2=CC=CC=C2N1)C1CC1	REAL300020219187	0	40	-1.0	-45.31	328.56	6.16	-39.15
O=C(CCC1=NN=N[N-]1)N(CC1=CC2=CC=CC=C2N1)C1CC1	REAL300020219187	1	40	-1.0	-45.29	328.61	6.18	-39.11
CCOC(=O)C1CCN(C(=O)CCC2=N[N-]N=N2)C12CCSCC2	REAL300020219188	0	46	-1.0	-41.12	353.31	5.74	-35.38
CCOC(=O)C1CCN(C(=O)CCC2=NN=N[N-]2)C12CCSCC2	REAL300020219188	1	46	-1.0	-41.11	353.37	5.76	-35.35
CC(C)(C)OC(=O)N1CC2=NC=CN2CC(NC(=O)CCC2=N[N-]N=N2)C1	REAL300020219189	0	50	-1.0	-43.99	397.27	3.68	-40.31
CC(C)(C)OC(=O)N1CC2=NC=CN2CC(NC(=O)CCC2=NN=N[N-]2)C1	REAL300020219189	1	50	-1.0	-44.01	397.33	3.69	-40.32
O=C(CCC1=N[N-]N=N1)NC1=CC=C(OCC2=CC=CC=N2)C=C1	REAL300020219190	0	39	-1.0	-42.73	335.81	4.15	-38.58
O=C(CCC1=NN=N[N-]1)NC1=CC=C(OCC2=CC=CC=N2)C=C1	REAL300020219190	1	39	-1.0	-42.72	335.87	4.16	-38.56
CN(C[C@H]1CCCN1C(=O)OC(C)(C)C)C(=O)CCC1=N[N-]N=N1	REAL300020219191	0	49	-1.0	-40.40	380.30	5.00	-35.40
CN(C[C@H]1CCCN1C(=O)OC(C)(C)C)C(=O)CCC1=NN=N[N-]1	REAL300020219191	1	49	-1.0	-40.37	380.36	5.02	-35.35
CN(CC1CCCN1C(=O)OC(C)(C)C)C(=O)CCC1=N[N-]N=N1	REAL300020219192	0	49	-1.0	-50.05	379.87	4.88	-45.17
CN(CC1CCCN1C(=O)OC(C)(C)C)C(=O)CCC1=NN=N[N-]1	REAL300020219192	1	49	-1.0	-50.03	379.93	4.90	-45.13
O=C(CCC1=N[N-]N=N1)NC1(CC2=CC=CC=C2F)CCCCC1	REAL300020219193	0	45	-1.0	-38.21	346.25	6.98	-31.23
O=C(CCC1=NN=N[N-]1)NC1(CC2=CC=CC=C2F)CCCCC1	REAL300020219193	1	45	-1.0	-38.22	346.30	6.99	-31.23
O=C(CCC1=N[N-]N=N1)N1CCC2=CC=C(Br)C=C2C1	REAL300020219194	0	33	-1.0	-39.45	295.26	5.60	-33.85
O=C(CCC1=NN=N[N-]1)N1CCC2=CC=C(Br)C=C2C1	REAL300020219194	1	33	-1.0	-39.41	295.32	5.61	-33.80
CCS(=O)(=O)NC1=CC=CC2=C1CCN(C(=O)CCC1=N[N-]N=N1)C2	REAL300020219195	0	44	-1.0	-45.99	365.81	2.70	-43.29
CCS(=O)(=O)NC1=CC=CC2=C1CCN(C(=O)CCC1=NN=N[N-]1)C2	REAL300020219195	1	44	-1.0	-45.97	365.87	2.72	-43.25
CN(C(=O)C1CCCN(C(=O)CCC2=NN=N[N-]2)C1)C1=CC=CC=N1	REAL300020219196	0	45	-1.0	-45.22	354.12	5.68	-39.54
CN(C(=O)C1CCCN(C(=O)CCC2=N[N-]N=N2)C1)C1=CC=CC=N1	REAL300020219196	1	45	-1.0	-45.29	354.06	5.67	-39.62
O=C(CCC1=NN=N[N-]1)NC1=CC=CC2=CC=C(Br)N=C21	REAL300020219197	0	31	-1.0	-43.36	293.56	3.64	-39.72
O=C(CCC1=N[N-]N=N1)NC1=CC=CC2=CC=C(Br)N=C21	REAL300020219197	1	31	-1.0	-43.33	293.51	3.62	-39.71
C[C@@H]1C[N@H+](C2CCN(C(=O)CCC3=N[N-]N=N3)CC2)C[C@H](C)O1	REAL300020219198	0	49	0.0	-63.56	363.77	4.78	-58.78
C[C@@H]1C[N@@H+](C2CCN(C(=O)CCC3=N[N-]N=N3)CC2)C[C@H](C)O1	REAL300020219198	1	49	0.0	-63.98	356.89	4.79	-59.19
C[C@@H]1C[N@H+](C2CCN(C(=O)CCC3=NN=N[N-]3)CC2)C[C@H](C)O1	REAL300020219198	1	49	0.0	-63.53	363.82	4.79	-58.74
C[C@@H]1C[N@@H+](C2CCN(C(=O)CCC3=NN=N[N-]3)CC2)C[C@H](C)O1	REAL300020219198	1	49	0.0	-64.00	356.94	4.81	-59.19
CC(C)(C)OC(=O)N1CCCC1C1(NC(=O)CCC2=N[N-]N=N2)CC1	REAL300020219199	0	50	-1.0	-43.91	387.01	4.26	-39.65
CC(C)(C)OC(=O)N1CCCC1C1(NC(=O)CCC2=NN=N[N-]2)CC1	REAL300020219199	1	50	-1.0	-43.91	387.07	4.28	-39.63
O=C(CCC1=N[N-]N=N1)N1CCN(C2=NSC(C3CC3)=N2)CC1	REAL300020219200	0	40	-1.0	-42.16	340.47	4.65	-37.51
O=C(CCC1=NN=N[N-]1)N1CCN(C2=NSC(C3CC3)=N2)CC1	REAL300020219200	1	40	-1.0	-42.13	340.53	4.67	-37.46
O=C(CCC1=N[N-]N=N1)N1CCC2=CC(Br)=C(F)C=C2C1	REAL300020219201	0	33	-1.0	-39.55	300.97	5.64	-33.91
O=C(CCC1=NN=N[N-]1)N1CCC2=CC(Br)=C(F)C=C2C1	REAL300020219201	1	33	-1.0	-39.56	301.03	5.66	-33.90
CC(C)(C)OC(=O)N1CC(NC(=O)CCC2=N[N-]N=N2)CCC1(C)C	REAL300020219202	0	52	-1.0	-43.54	392.57	4.03	-39.51
CC(C)(C)OC(=O)N1CC(NC(=O)CCC2=NN=N[N-]2)CCC1(C)C	REAL300020219202	1	52	-1.0	-43.52	392.62	4.04	-39.48
COC(=O)C1=CC(F)=CC2=C1CCN(C(=O)CCC1=N[N-]N=N1)C2	REAL300020219203	0	39	-1.0	-41.40	329.34	5.55	-35.85
COC(=O)C1=CC(F)=CC2=C1CCN(C(=O)CCC1=NN=N[N-]1)C2	REAL300020219203	1	39	-1.0	-41.38	329.40	5.57	-35.81
COC(=O)COCC1CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300020219204	0	42	-1.0	-45.56	345.48	4.22	-41.34
COC(=O)COCC1CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020219204	1	42	-1.0	-45.53	345.54	4.23	-41.30
COC(=O)[C@H]1C[C@H](C(F)(F)F)CN(C(=O)CCC2=N[N-]N=N2)C1	REAL300020219205	0	38	-1.0	-43.21	322.09	4.39	-38.82
COC(=O)[C@H]1C[C@H](C(F)(F)F)CN(C(=O)CCC2=NN=N[N-]2)C1	REAL300020219205	1	38	-1.0	-43.22	322.14	4.41	-38.81
CCOC(=O)C1=CSC(CC2CCCN(C(=O)CCC3=N[N-]N=N3)C2)=N1	REAL300020219206	0	47	-1.0	-47.50	396.76	5.61	-41.89
CCOC(=O)C1=CSC(CC2CCCN(C(=O)CCC3=NN=N[N-]3)C2)=N1	REAL300020219206	1	47	-1.0	-47.50	396.82	5.62	-41.88
O=C(CCC1=N[N-]N=N1)N1CCC(C2=CC=CC=C2Br)C1	REAL300020219207	0	36	-1.0	-40.70	315.97	6.03	-34.67
O=C(CCC1=NN=N[N-]1)N1CCC(C2=CC=CC=C2Br)C1	REAL300020219207	1	36	-1.0	-40.70	316.02	6.04	-34.66
COC(=O)[C@@H]1CN(C(=O)CCC2=N[N-]N=N2)C[C@H]1C1=CC=C(F)C=C1	REAL300020219208	0	42	-1.0	-41.92	358.90	6.18	-35.74
COC(=O)[C@@H]1CN(C(=O)CCC2=NN=N[N-]2)C[C@H]1C1=CC=C(F)C=C1	REAL300020219208	1	42	-1.0	-41.92	358.96	6.19	-35.73
COC(=O)C1=CC=CC=C1C1CCN(C(=O)CCC2=N[N-]N=N2)C1	REAL300020219209	0	42	-1.0	-43.63	346.35	5.97	-37.66
COC(=O)C1=CC=CC=C1C1CCN(C(=O)CCC2=NN=N[N-]2)C1	REAL300020219209	1	42	-1.0	-43.65	346.40	5.98	-37.67
CCS(=O)(=O)N1CCCC2=CC=C(NC(=O)CCC3=N[N-]N=N3)C=C21	REAL300020219210	0	44	-1.0	-47.99	363.17	2.82	-45.17
CCS(=O)(=O)N1CCCC2=CC=C(NC(=O)CCC3=NN=N[N-]3)C=C21	REAL300020219210	1	44	-1.0	-48.00	363.23	2.83	-45.17
CC1=CC=CC(C2=CC=C(NC(=O)CCC3=N[N-]N=N3)C=C2)=C1	REAL300020219211	0	39	-1.0	-41.24	327.34	6.65	-34.59
CC1=CC=CC(C2=CC=C(NC(=O)CCC3=NN=N[N-]3)C=C2)=C1	REAL300020219211	1	39	-1.0	-41.22	327.40	6.66	-34.56
CCN(CC)S(=O)(=O)C1=CC=C(SCCC2=N[N-]N=N2)C([N+](=O)[O-])=C1	REAL300020219212	0	42	-1.0	-40.30	377.11	4.99	-35.31
CCN(CC)S(=O)(=O)C1=CC=C(SCCC2=NN=N[N-]2)C([N+](=O)[O-])=C1	REAL300020219212	1	42	-1.0	-40.32	377.17	5.01	-35.31
FC(F)(F)C1=CN=C(SCCC2=NN=N[N-]2)C(Cl)=C1	REAL300020219213	0	25	-1.0	-36.50	269.11	4.62	-31.88
FC(F)(F)C1=CN=C(SCCC2=N[N-]N=N2)C(Cl)=C1	REAL300020219213	1	25	-1.0	-36.53	269.05	4.60	-31.93
CS(=O)(=O)C1=CC=C(SCCC2=N[N-]N=N2)C([N+](=O)[O-])=C1	REAL300020219214	0	31	-1.0	-44.83	301.07	2.80	-42.03
CS(=O)(=O)C1=CC=C(SCCC2=NN=N[N-]2)C([N+](=O)[O-])=C1	REAL300020219214	1	31	-1.0	-44.85	301.12	2.81	-42.04
NS(=O)(=O)C1=CC=C(SCCC2=N[N-]N=N2)C([N+](=O)[O-])=C1	REAL300020219215	0	30	-1.0	-42.63	294.55	0.24	-42.39
NS(=O)(=O)C1=CC=C(SCCC2=NN=N[N-]2)C([N+](=O)[O-])=C1	REAL300020219215	1	30	-1.0	-42.64	294.61	0.25	-42.39
O=[N+]([O-])C1=CC(C(F)(F)F)=CC=C1SCCC1=N[N-]N=N1	REAL300020219216	0	28	-1.0	-35.75	279.12	6.28	-29.47
O=[N+]([O-])C1=CC(C(F)(F)F)=CC=C1SCCC1=NN=N[N-]1	REAL300020219216	1	28	-1.0	-35.72	279.18	6.30	-29.42
O=[N+]([O-])C1=CC(S(=O)(=O)N2CCCCC2)=CC=C1SCCC1=N[N-]N=N1	REAL300020219217	0	43	-1.0	-40.22	377.49	5.27	-34.95
O=[N+]([O-])C1=CC(S(=O)(=O)N2CCCCC2)=CC=C1SCCC1=NN=N[N-]1	REAL300020219217	1	43	-1.0	-40.22	377.55	5.28	-34.94
O=C(C1=CC=CC=C1)C1=CC=C(SCCC2=N[N-]N=N2)C([N+](=O)[O-])=C1	REAL300020219218	0	37	-1.0	-39.27	336.76	8.51	-30.76
O=C(C1=CC=CC=C1)C1=CC=C(SCCC2=NN=N[N-]2)C([N+](=O)[O-])=C1	REAL300020219218	1	37	-1.0	-39.27	336.82	8.53	-30.74
CC1=C(C)C2=C(SCCC3=NN=N[N-]3)N=C(C3=CC=CN=C3)N=C2S1	REAL300020219219	0	39	-1.0	-47.62	353.60	6.76	-40.86
CC1=C(C)C2=C(SCCC3=N[N-]N=N3)N=C(C3=CC=CN=C3)N=C2S1	REAL300020219219	1	39	-1.0	-47.63	353.55	6.75	-40.88
CNS(=O)(=O)C1=CC=C(SCCC2=N[N-]N=N2)C([N+](=O)[O-])=C1	REAL300020219220	0	33	-1.0	-41.53	316.98	1.45	-40.08
CNS(=O)(=O)C1=CC=C(SCCC2=NN=N[N-]2)C([N+](=O)[O-])=C1	REAL300020219220	1	33	-1.0	-41.58	317.04	1.46	-40.12
COC(=O)C1=C(C)C2=C(SCCC3=N[N-]N=N3)N=C(C)N=C2S1	REAL300020219221	0	36	-1.0	-40.03	332.89	5.13	-34.90
COC(=O)C1=C(C)C2=C(SCCC3=NN=N[N-]3)N=C(C)N=C2S1	REAL300020219221	1	36	-1.0	-40.03	332.95	5.14	-34.89
C1=CN=CC(C2=NC(SCCC3=NN=N[N-]3)=C3C4=C(CCC4)SC3=N2)=C1	REAL300020219222	0	40	-1.0	-47.10	363.94	7.68	-39.42
C1=CN=CC(C2=NC(SCCC3=N[N-]N=N3)=C3C4=C(CCC4)SC3=N2)=C1	REAL300020219222	1	40	-1.0	-47.07	363.88	7.67	-39.40
CC1=NC(SCCC2=NN=N[N-]2)=C2C(C3=CC=CC=C3)=CSC2=N1	REAL300020219223	0	37	-1.0	-43.10	338.28	7.42	-35.68
CC1=NC(SCCC2=N[N-]N=N2)=C2C(C3=CC=CC=C3)=CSC2=N1	REAL300020219223	1	37	-1.0	-43.08	338.23	7.41	-35.67
CC1=NC(SCCC2=NN=N[N-]2)=C2C(C3=CC=CS3)=CSC2=N1	REAL300020219224	0	34	-1.0	-43.66	328.21	7.01	-36.65
CC1=NC(SCCC2=N[N-]N=N2)=C2C(C3=CC=CS3)=CSC2=N1	REAL300020219224	1	34	-1.0	-43.67	328.15	7.00	-36.67
O=[N+]([O-])C1=CC=C(SCCC2=N[N-]N=N2)C(S(=O)(=O)N2CCCC2)=C1	REAL300020219225	0	40	-1.0	-38.55	355.58	4.25	-34.30
O=[N+]([O-])C1=CC=C(SCCC2=NN=N[N-]2)C(S(=O)(=O)N2CCCC2)=C1	REAL300020219225	1	40	-1.0	-38.57	355.63	4.27	-34.30
CC1=NC(SCCC2=N[N-]N=N2)=C2C3=C(CCC3)SC2=N1	REAL300020219226	0	34	-1.0	-41.71	311.34	6.13	-35.58
CC1=NC(SCCC2=NN=N[N-]2)=C2C3=C(CCC3)SC2=N1	REAL300020219226	1	34	-1.0	-41.76	311.39	6.14	-35.62
C1=NC(SCCC2=N[N-]N=N2)=C2C3=C(CCCC3)SC2=N1	REAL300020219227	0	34	-1.0	-41.12	303.57	6.56	-34.56
C1=NC(SCCC2=NN=N[N-]2)=C2C3=C(CCCC3)SC2=N1	REAL300020219227	1	34	-1.0	-41.15	303.63	6.57	-34.58
C1=C(C2=CC=CC=C2)C2=C(SCCC3=NN=N[N-]3)N=CN=C2S1	REAL300020219228	0	34	-1.0	-42.62	316.45	7.48	-35.14
C1=C(C2=CC=CC=C2)C2=C(SCCC3=N[N-]N=N3)N=CN=C2S1	REAL300020219228	1	34	-1.0	-42.60	316.39	7.46	-35.14
C1=NC(SCCC2=N[N-]N=N2)=C2C3=C(CCC3)SC2=N1	REAL300020219229	0	31	-1.0	-41.21	289.51	6.18	-35.03
C1=NC(SCCC2=NN=N[N-]2)=C2C3=C(CCC3)SC2=N1	REAL300020219229	1	31	-1.0	-41.24	289.57	6.20	-35.04
CC1CCC2=C(C1)SC1=NC=NC(SCCC3=N[N-]N=N3)=C21	REAL300020219230	0	37	-1.0	-40.82	324.21	7.28	-33.54
CC1CCC2=C(C1)SC1=NC=NC(SCCC3=NN=N[N-]3)=C21	REAL300020219230	1	37	-1.0	-40.82	324.27	7.30	-33.52
C1=C(C2=CC=CC=C2)SC2=NC=NC(SCCC3=NN=N[N-]3)=C12	REAL300020219231	0	34	-1.0	-40.51	323.09	7.95	-32.56
C1=C(C2=CC=CC=C2)SC2=NC=NC(SCCC3=N[N-]N=N3)=C12	REAL300020219231	1	34	-1.0	-40.51	323.04	7.94	-32.57
CC1=CC=C(C2=CSC3=NC=NC(SCCC4=NN=N[N-]4)=C23)C=C1	REAL300020219232	0	37	-1.0	-42.49	337.82	8.14	-34.35
CC1=CC=C(C2=CSC3=NC=NC(SCCC4=N[N-]N=N4)=C23)C=C1	REAL300020219232	1	37	-1.0	-42.51	337.76	8.12	-34.39
COC1=CC=C(C2=CSC3=NC=NC(SCCC4=NN=N[N-]4)=C23)C=C1	REAL300020219233	0	38	-1.0	-42.91	345.89	6.77	-36.14
COC1=CC=C(C2=CSC3=NC=NC(SCCC4=N[N-]N=N4)=C23)C=C1	REAL300020219233	1	38	-1.0	-42.89	345.84	6.76	-36.13
O=[N+]([O-])C1=CC(S(=O)(=O)C(F)(F)F)=CC=C1SCCC1=N[N-]N=N1	REAL300020219234	0	31	-1.0	-38.52	320.84	3.40	-35.12
O=[N+]([O-])C1=CC(S(=O)(=O)C(F)(F)F)=CC=C1SCCC1=NN=N[N-]1	REAL300020219234	1	31	-1.0	-38.54	320.89	3.42	-35.12
CC1=NC(SCCC2=N[N-]N=N2)=C2C=C(C3=CC=CC=C3)SC2=N1	REAL300020219235	0	37	-1.0	-40.96	344.87	7.88	-33.08
CC1=NC(SCCC2=NN=N[N-]2)=C2C=C(C3=CC=CC=C3)SC2=N1	REAL300020219235	1	37	-1.0	-40.97	344.92	7.90	-33.07
C1=CSC(C2=NC3=CC=CC=C3C(SCCC3=NN=N[N-]3)=N2)=C1	REAL300020219236	0	34	-1.0	-45.33	325.17	7.29	-38.04
C1=CSC(C2=NC3=CC=CC=C3C(SCCC3=N[N-]N=N3)=N2)=C1	REAL300020219236	1	34	-1.0	-45.35	325.11	7.27	-38.08
C1=CN=CC(C2=NC(SCCC3=NN=N[N-]3)=C3C4=C(CCCC4)SC3=N2)=C1	REAL300020219237	0	43	-1.0	-47.21	377.86	8.16	-39.05
C1=CN=CC(C2=NC(SCCC3=N[N-]N=N3)=C3C4=C(CCCC4)SC3=N2)=C1	REAL300020219237	1	43	-1.0	-47.18	377.80	8.15	-39.03
C1=CC=C(C2=NC3=CC=CC=C3C(SCCC3=NN=N[N-]3)=N2)C=C1	REAL300020219238	0	37	-1.0	-46.04	332.84	8.37	-37.67
C1=CC=C(C2=NC3=CC=CC=C3C(SCCC3=N[N-]N=N3)=N2)C=C1	REAL300020219238	1	37	-1.0	-46.07	332.78	8.35	-37.72
O=[N+]([O-])C1=CC=C(SCCC2=NN=N[N-]2)C2=CC=NC=C21	REAL300020219239	0	30	-1.0	-36.08	280.81	5.71	-30.37
O=[N+]([O-])C1=CC=C(SCCC2=N[N-]N=N2)C2=CC=NC=C21	REAL300020219239	1	30	-1.0	-36.07	280.76	5.70	-30.37
C1=CC=C2C(=C1)N=C(C1=CC=CN=C1)N=C2SCCC1=NN=N[N-]1	REAL300020219240	0	36	-1.0	-43.81	327.81	6.59	-37.22
C1=CC=C2C(=C1)N=C(C1=CC=CN=C1)N=C2SCCC1=N[N-]N=N1	REAL300020219240	1	36	-1.0	-43.83	327.76	6.57	-37.26
CCOC(=O)C1=C(C)C2=C(SCCC3=N[N-]N=N3)N=CN=C2S1	REAL300020219241	0	36	-1.0	-39.37	332.93	6.11	-33.26
CCOC(=O)C1=C(C)C2=C(SCCC3=NN=N[N-]3)N=CN=C2S1	REAL300020219241	1	36	-1.0	-39.43	332.98	6.12	-33.31
O=[N+]([O-])C1=CC(C(F)(F)F)=C(Cl)C=C1SCCC1=N[N-]N=N1	REAL300020219242	0	28	-1.0	-34.06	292.24	6.70	-27.36
O=[N+]([O-])C1=CC(C(F)(F)F)=C(Cl)C=C1SCCC1=NN=N[N-]1	REAL300020219242	1	28	-1.0	-34.08	292.30	6.71	-27.37
ClC1=CC=C(C2=CC3=NC=NC(SCCC4=NN=N[N-]4)=C3S2)C=C1	REAL300020219243	0	34	-1.0	-39.85	339.69	8.42	-31.43
ClC1=CC=C(C2=CC3=NC=NC(SCCC4=N[N-]N=N4)=C3S2)C=C1	REAL300020219243	1	34	-1.0	-39.85	339.63	8.41	-31.44
C1=NN2C(=N1)N=C(C1=CC=CC=C1)C=C2SCCC1=NN=N[N-]1	REAL300020219244	0	34	-1.0	-39.28	309.65	9.26	-30.02
C1=NN2C(=N1)N=C(C1=CC=CC=C1)C=C2SCCC1=N[N-]N=N1	REAL300020219244	1	34	-1.0	-39.29	309.59	9.25	-30.04
FC(F)(F)C1=NC2=CC=CC=C2C(SCCC2=NN=N[N-]2)=N1	REAL300020219245	0	30	-1.0	-45.21	294.20	5.46	-39.75
FC(F)(F)C1=NC2=CC=CC=C2C(SCCC2=N[N-]N=N2)=N1	REAL300020219245	1	30	-1.0	-45.19	294.14	5.45	-39.74
CC1=C(C#N)C2=NC3=CC=CC=C3N2C(SCCC2=NN=N[N-]2)=C1	REAL300020219246	0	36	-1.0	-40.45	325.59	8.01	-32.44
CC1=C(C#N)C2=NC3=CC=CC=C3N2C(SCCC2=N[N-]N=N2)=C1	REAL300020219246	1	36	-1.0	-40.46	325.53	7.99	-32.47
FC(F)(F)C1=CC=C(SCCC2=NN=N[N-]2)N=C1Cl	REAL300020219247	0	25	-1.0	-40.53	267.09	4.49	-36.04
FC(F)(F)C1=CC=C(SCCC2=N[N-]N=N2)N=C1Cl	REAL300020219247	1	25	-1.0	-40.49	267.03	4.48	-36.01
C1=CC=C(C2=NC(SCCC3=NN=N[N-]3)=NC3=CC=CC=C32)C=C1	REAL300020219248	0	37	-1.0	-47.21	330.44	7.83	-39.38
C1=CC=C(C2=NC(SCCC3=N[N-]N=N3)=NC3=CC=CC=C32)C=C1	REAL300020219248	1	37	-1.0	-47.23	330.38	7.81	-39.42
CC1=NN2C(=C1)N=C(SCCC1=NN=N[N-]1)C1=CC=CC=C12	REAL300020219249	0	34	-1.0	-47.42	308.50	6.60	-40.82
CC1=NN2C(=C1)N=C(SCCC1=N[N-]N=N1)C1=CC=CC=C12	REAL300020219249	1	34	-1.0	-47.45	308.44	6.59	-40.86
COC1=CC=C(C2=CC3=NC=NC(SCCC4=NN=N[N-]4)=C3S2)C=C1	REAL300020219250	0	38	-1.0	-41.53	352.40	7.20	-34.33
COC1=CC=C(C2=CC3=NC=NC(SCCC4=N[N-]N=N4)=C3S2)C=C1	REAL300020219250	1	38	-1.0	-41.49	352.34	7.18	-34.31
CCOC(=O)C1=C(C)C2=C(SCCC3=N[N-]N=N3)N=C(C)N=C2S1	REAL300020219251	0	39	-1.0	-39.67	354.75	6.05	-33.62
CCOC(=O)C1=C(C)C2=C(SCCC3=NN=N[N-]3)N=C(C)N=C2S1	REAL300020219251	1	39	-1.0	-39.68	354.81	6.07	-33.61
CN(C)C1=CC(C(F)(F)F)=NC(SCCC2=NN=N[N-]2)=N1	REAL300020219252	0	32	-1.0	-42.78	305.02	5.07	-37.71
CN(C)C1=CC(C(F)(F)F)=NC(SCCC2=N[N-]N=N2)=N1	REAL300020219252	1	32	-1.0	-42.75	304.97	5.05	-37.70
C1=NN(C2=CC=CC=C2)C2=NC=NC(SCCC3=NN=N[N-]3)=C12	REAL300020219253	0	34	-1.0	-42.10	315.77	7.40	-34.70
C1=NN(C2=CC=CC=C2)C2=NC=NC(SCCC3=N[N-]N=N3)=C12	REAL300020219253	1	34	-1.0	-42.10	315.71	7.39	-34.71
FC(F)(F)C1=NN=C2C=CC(SCCC3=NN=N[N-]3)=NN21	REAL300020219254	0	27	-1.0	-45.40	278.30	4.53	-40.87
FC(F)(F)C1=NN=C2C=CC(SCCC3=N[N-]N=N3)=NN21	REAL300020219254	1	27	-1.0	-45.39	278.24	4.52	-40.87
C1=CC2=NC(C3=CC=NC=C3)=NC(SCCC3=NN=N[N-]3)=C2C=C1	REAL300020219255	0	36	-1.0	-44.75	327.98	6.58	-38.17
C1=CC2=NC(C3=CC=NC=C3)=NC(SCCC3=N[N-]N=N3)=C2C=C1	REAL300020219255	1	36	-1.0	-44.76	327.92	6.56	-38.20
O=[N+]([O-])C1=CC=C(SCCC2=NN=N[N-]2)C2=NC=CC=C12	REAL300020219256	0	30	-1.0	-39.02	282.40	5.84	-33.18
O=[N+]([O-])C1=CC=C(SCCC2=N[N-]N=N2)C2=NC=CC=C12	REAL300020219256	1	30	-1.0	-38.99	282.34	5.82	-33.17
C1=C(C2=CC=CC=C2)N=C2SC(SCCC3=NN=N[N-]3)=NN12	REAL300020219257	0	32	-1.0	-41.13	312.24	6.54	-34.59
C1=C(C2=CC=CC=C2)N=C2SC(SCCC3=N[N-]N=N3)=NN12	REAL300020219257	1	32	-1.0	-41.08	312.18	6.53	-34.55
O=S(=O)(C1=CC=C(SCCC2=N[N-]N=N2)C=C1)C(F)(F)F	REAL300020219258	0	29	-1.0	-37.63	297.22	2.89	-34.74
O=S(=O)(C1=CC=C(SCCC2=NN=N[N-]2)C=C1)C(F)(F)F	REAL300020219258	1	29	-1.0	-37.61	297.28	2.90	-34.71
O=S(=O)(C1=CC=CC=C1SCCC1=N[N-]N=N1)C(F)(F)F	REAL300020219259	0	29	-1.0	-39.07	285.35	2.64	-36.43
O=S(=O)(C1=CC=CC=C1SCCC1=NN=N[N-]1)C(F)(F)F	REAL300020219259	1	29	-1.0	-39.06	285.41	2.65	-36.41
CC1=NC2=NC(C(F)(F)F)=NN2C(SCCC2=N[N-]N=N2)=C1	REAL300020219260	0	30	-1.0	-37.48	295.88	6.38	-31.10
CC1=NC2=NC(C(F)(F)F)=NN2C(SCCC2=NN=N[N-]2)=C1	REAL300020219260	1	30	-1.0	-37.52	295.94	6.40	-31.12
CS(=O)(=O)C1=CC=C(SCCC2=N[N-]N=N2)C([N+](=O)[O-])=C1	REAL300020219261	0	31	-1.0	-44.83	301.07	2.80	-42.03
CS(=O)(=O)C1=CC=C(SCCC2=NN=N[N-]2)C([N+](=O)[O-])=C1	REAL300020219261	1	31	-1.0	-44.85	301.12	2.81	-42.04
O=[N+]([O-])C1=CC(C(F)(F)F)=CC=C1SCCC1=N[N-]N=N1	REAL300020219262	0	28	-1.0	-35.75	279.12	6.28	-29.47
O=[N+]([O-])C1=CC(C(F)(F)F)=CC=C1SCCC1=NN=N[N-]1	REAL300020219262	1	28	-1.0	-35.72	279.18	6.30	-29.42
O=[N+]([O-])C1=C(SCCC2=NN=N[N-]2)C=CC2=NC=CC=C21	REAL300020219263	0	30	-1.0	-39.72	286.46	6.02	-33.70
O=[N+]([O-])C1=C(SCCC2=N[N-]N=N2)C=CC2=NC=CC=C21	REAL300020219263	1	30	-1.0	-39.71	286.40	6.00	-33.71
CC1=NC(SCCC2=N[N-]N=N2)=C2C(CC(C)C)=CSC2=N1	REAL300020219264	0	39	-1.0	-41.74	341.08	6.56	-35.18
CC1=NC(SCCC2=NN=N[N-]2)=C2C(CC(C)C)=CSC2=N1	REAL300020219264	1	39	-1.0	-41.79	341.13	6.58	-35.21
CN1C(=O)C([N+](=O)[O-])=C(SCCC2=NN=N[N-]2)C2=CC=CC=C21	REAL300020219265	0	34	-1.0	-48.18	304.20	6.89	-41.29
CN1C(=O)C([N+](=O)[O-])=C(SCCC2=N[N-]N=N2)C2=CC=CC=C21	REAL300020219265	1	34	-1.0	-48.15	304.14	6.87	-41.28
O=C1CCC2=CC([N+](=O)[O-])=C(SCCC3=N[N-]N=N3)C=C2N1	REAL300020219266	0	33	-1.0	-43.21	300.19	4.46	-38.75
O=C1CCC2=CC([N+](=O)[O-])=C(SCCC3=NN=N[N-]3)C=C2N1	REAL300020219266	1	33	-1.0	-43.17	300.25	4.48	-38.69
O=S(=O)(C1=CC=C(SCCC2=N[N-]N=N2)C=C1)C(F)F	REAL300020219267	0	29	-1.0	-41.29	290.64	2.69	-38.60
O=S(=O)(C1=CC=C(SCCC2=NN=N[N-]2)C=C1)C(F)F	REAL300020219267	1	29	-1.0	-41.30	290.70	2.70	-38.60
CC1=NC(SCCC2=NN=N[N-]2)=C2C=NN(C3=CC=CC=C3)C2=N1	REAL300020219268	0	37	-1.0	-42.46	337.59	7.36	-35.10
CC1=NC(SCCC2=N[N-]N=N2)=C2C=NN(C3=CC=CC=C3)C2=N1	REAL300020219268	1	37	-1.0	-42.47	337.53	7.34	-35.13
FC(F)(F)C1=NC2=NC=NN2C(SCCC2=NN=N[N-]2)=C1	REAL300020219269	0	27	-1.0	-37.12	273.41	6.73	-30.39
FC(F)(F)C1=NC2=NC=NN2C(SCCC2=N[N-]N=N2)=C1	REAL300020219269	1	27	-1.0	-37.10	273.35	6.71	-30.39
COC(=O)C1=C(Cl)N=C(SCCC2=NN=N[N-]2)S1	REAL300020219270	0	25	-1.0	-40.56	274.05	3.19	-37.37
COC(=O)C1=C(Cl)N=C(SCCC2=N[N-]N=N2)S1	REAL300020219270	1	25	-1.0	-40.57	273.99	3.17	-37.40
CS(=O)(=O)C1=CC=C(SCCC2=N[N-]N=N2)C(S(C)(=O)=O)=C1	REAL300020219271	0	35	-1.0	-47.44	330.57	-0.29	-47.73
CS(=O)(=O)C1=CC=C(SCCC2=NN=N[N-]2)C(S(C)(=O)=O)=C1	REAL300020219271	1	35	-1.0	-47.46	330.62	-0.27	-47.73
CCC1=CC(SCCC2=NN=N[N-]2)=NC(C2=CC=C([N+](=O)[O-])C=C2)=N1	REAL300020219272	0	39	-1.0	-41.88	359.45	8.37	-33.51
CCC1=CC(SCCC2=N[N-]N=N2)=NC(C2=CC=C([N+](=O)[O-])C=C2)=N1	REAL300020219272	1	39	-1.0	-41.86	359.39	8.36	-33.50
C1=CC=C(C2=NN=C3C=CC(SCCC4=N[N-]N=N4)=NN32)C=C1	REAL300020219273	0	34	-1.0	-45.49	315.03	7.29	-38.20
C1=CC=C(C2=NN=C3C=CC(SCCC4=NN=N[N-]4)=NN32)C=C1	REAL300020219273	1	34	-1.0	-45.49	315.09	7.31	-38.18
CNC(=O)C1=CC=C(SCCC2=N[N-]N=N2)C([N+](=O)[O-])=C1	REAL300020219274	0	32	-1.0	-42.16	296.60	3.55	-38.61
CNC(=O)C1=CC=C(SCCC2=NN=N[N-]2)C([N+](=O)[O-])=C1	REAL300020219274	1	32	-1.0	-42.13	296.66	3.56	-38.57
FC1=CC=CC=C1C1=NN=C2C=CC(SCCC3=N[N-]N=N3)=NN21	REAL300020219275	0	34	-1.0	-45.51	318.87	7.46	-38.05
FC1=CC=CC=C1C1=NN=C2C=CC(SCCC3=NN=N[N-]3)=NN21	REAL300020219275	1	34	-1.0	-45.51	318.93	7.47	-38.04
CSC1=NC2=NC=NC(SCCC3=NN=N[N-]3)=C2S1	REAL300020219276	0	27	-1.0	-40.34	284.31	4.60	-35.74
CSC1=NC2=NC=NC(SCCC3=N[N-]N=N3)=C2S1	REAL300020219276	1	27	-1.0	-40.36	284.26	4.58	-35.78
CN1C=CN=C1C(=O)C1=CC=C(SCCC2=N[N-]N=N2)C([N+](=O)[O-])=C1	REAL300020219277	0	37	-1.0	-41.74	336.30	7.85	-33.89
CN1C=CN=C1C(=O)C1=CC=C(SCCC2=NN=N[N-]2)C([N+](=O)[O-])=C1	REAL300020219277	1	37	-1.0	-41.77	336.35	7.86	-33.91
COCC1=NC(SCCC2=NN=N[N-]2)=C2C(C3=CC=CC=C3)=CSC2=N1	REAL300020219278	0	41	-1.0	-45.50	371.96	6.40	-39.10
COCC1=NC(SCCC2=N[N-]N=N2)=C2C(C3=CC=CC=C3)=CSC2=N1	REAL300020219278	1	41	-1.0	-45.48	371.90	6.39	-39.09
CN(C)CC1=NC(SCCC2=N[N-]N=N2)=C2C(C3=CC=CC=C3)=CSC2=N1	REAL300020219279	0	45	-1.0	-43.33	393.61	6.23	-37.10
CN(C)CC1=NC(SCCC2=NN=N[N-]2)=C2C(C3=CC=CC=C3)=CSC2=N1	REAL300020219279	1	45	-1.0	-43.32	393.66	6.25	-37.07
C1=CN=C(C2=NC(SCCC3=N[N-]N=N3)=C3C4=C(CCCC4)SC3=N2)C=N1	REAL300020219280	0	42	-1.0	-47.56	373.47	6.19	-41.37
C1=CN=C(C2=NC(SCCC3=NN=N[N-]3)=C3C4=C(CCCC4)SC3=N2)C=N1	REAL300020219280	1	42	-1.0	-47.55	373.52	6.20	-41.35
C(CC1=N[N-]N=N1)SC1=C2C3=C(CCCC3)SC2=NC(C2CC2)=N1	REAL300020219281	0	41	-1.0	-42.67	355.75	8.32	-34.35
C(CC1=NN=N[N-]1)SC1=C2C3=C(CCCC3)SC2=NC(C2CC2)=N1	REAL300020219281	1	41	-1.0	-42.63	355.81	8.33	-34.30
C1=C(C2=CC=CC=C2)C2=C(SCCC3=NN=N[N-]3)N=C(C3CC3)N=C2S1	REAL300020219282	0	41	-1.0	-44.03	368.78	9.13	-34.90
C1=C(C2=CC=CC=C2)C2=C(SCCC3=N[N-]N=N3)N=C(C3CC3)N=C2S1	REAL300020219282	1	41	-1.0	-44.02	368.73	9.11	-34.91
O=S(=O)(C1=CC(F)=CC=C1SCCC1=N[N-]N=N1)C(F)(F)F	REAL300020219283	0	29	-1.0	-35.94	291.77	2.72	-33.22
O=S(=O)(C1=CC(F)=CC=C1SCCC1=NN=N[N-]1)C(F)(F)F	REAL300020219283	1	29	-1.0	-35.96	291.83	2.73	-33.23
CN1N=C(Br)C2=C(SCCC3=NN=N[N-]3)N=CN=C21	REAL300020219284	0	27	-1.0	-39.11	276.35	4.27	-34.84
CN1N=C(Br)C2=C(SCCC3=N[N-]N=N3)N=CN=C21	REAL300020219284	1	27	-1.0	-39.11	276.29	4.26	-34.85
FC(F)(F)C1=CC(C2=CC=CO2)=NN=C1SCCC1=N[N-]N=N1	REAL300020219285	0	31	-1.0	-41.54	306.95	4.66	-36.88
FC(F)(F)C1=CC(C2=CC=CO2)=NN=C1SCCC1=NN=N[N-]1	REAL300020219285	1	31	-1.0	-41.55	307.01	4.67	-36.88
FC(F)(F)C1=CC(C2=CC=CC=C2)=NN=C1SCCC1=N[N-]N=N1	REAL300020219286	0	34	-1.0	-42.81	322.24	6.49	-36.32
FC(F)(F)C1=CC(C2=CC=CC=C2)=NN=C1SCCC1=NN=N[N-]1	REAL300020219286	1	34	-1.0	-42.81	322.30	6.50	-36.31
CC(C)C1=CC(C(F)(F)F)=C(SCCC2=N[N-]N=N2)N=N1	REAL300020219287	0	33	-1.0	-41.21	305.51	4.75	-36.46
CC(C)C1=CC(C(F)(F)F)=C(SCCC2=NN=N[N-]2)N=N1	REAL300020219287	1	33	-1.0	-41.23	305.56	4.76	-36.47
O=[N+]([O-])C1=CC(Br)=CC=C1SCCC1=N[N-]N=N1	REAL300020219288	0	25	-1.0	-35.91	261.68	5.90	-30.01
O=[N+]([O-])C1=CC(Br)=CC=C1SCCC1=NN=N[N-]1	REAL300020219288	1	25	-1.0	-35.93	261.74	5.92	-30.01
O=[N+]([O-])C1=CC=C2N=C(SCCC3=NN=N[N-]3)SC2=C1	REAL300020219289	0	27	-1.0	-37.46	280.23	5.11	-32.35
O=[N+]([O-])C1=CC=C2N=C(SCCC3=N[N-]N=N3)SC2=C1	REAL300020219289	1	27	-1.0	-37.49	280.18	5.10	-32.39
CC1=CC=C(NC(=O)C2=CC=C(SCCC3=N[N-]N=N3)C([N+](=O)[O-])=C2)C=C1	REAL300020219290	0	42	-1.0	-42.27	373.61	7.94	-34.33
CC1=CC=C(NC(=O)C2=CC=C(SCCC3=NN=N[N-]3)C([N+](=O)[O-])=C2)C=C1	REAL300020219290	1	42	-1.0	-42.25	373.67	7.95	-34.30
C(CC1=N[N-]N=N1)SC1=C2C3=C(CCC3)SC2=NC(C2CCCCC2)=N1	REAL300020219291	0	47	-1.0	-42.24	394.44	9.25	-32.99
C(CC1=NN=N[N-]1)SC1=C2C3=C(CCC3)SC2=NC(C2CCCCC2)=N1	REAL300020219291	1	47	-1.0	-42.30	394.49	9.27	-33.03
C1=CN=CC(C2=NC3=C(CCC3)C(SCCC3=NN=N[N-]3)=N2)=C1	REAL300020219292	0	37	-1.0	-42.93	328.88	6.32	-36.61
C1=CN=CC(C2=NC3=C(CCC3)C(SCCC3=N[N-]N=N3)=N2)=C1	REAL300020219292	1	37	-1.0	-42.94	328.82	6.31	-36.63
FC(F)C1=NC2=CC=CC=C2C(SCCC2=N[N-]N=N2)=N1	REAL300020219293	0	30	-1.0	-45.21	287.53	5.38	-39.83
FC(F)C1=NC2=CC=CC=C2C(SCCC2=NN=N[N-]2)=N1	REAL300020219293	1	30	-1.0	-45.22	287.59	5.40	-39.82
CCC1=CC(SCCC2=N[N-]N=N2)=NC(C2=CC=NC=C2)=N1	REAL300020219294	0	36	-1.0	-42.07	326.34	5.90	-36.17
CCC1=CC(SCCC2=NN=N[N-]2)=NC(C2=CC=NC=C2)=N1	REAL300020219294	1	36	-1.0	-42.07	326.40	5.91	-36.16
FC(F)(F)C1=CC(SCCC2=NN=N[N-]2)=NC(C2=CC=CN=C2)=N1	REAL300020219295	0	33	-1.0	-37.35	323.68	5.52	-31.83
FC(F)(F)C1=CC(SCCC2=N[N-]N=N2)=NC(C2=CC=CN=C2)=N1	REAL300020219295	1	33	-1.0	-37.38	323.62	5.50	-31.88
O=C(NC1=CC=CC=C1)C1=CC=C(SCCC2=NN=N[N-]2)N=N1	REAL300020219296	0	35	-1.0	-42.85	323.91	4.01	-38.84
O=C(NC1=CC=CC=C1)C1=CC=C(SCCC2=N[N-]N=N2)N=N1	REAL300020219296	1	35	-1.0	-42.83	323.85	4.00	-38.83
C1=CC=C(C2=NC3=C(CCC3)C(SCCC3=N[N-]N=N3)=N2)N=C1	REAL300020219297	0	37	-1.0	-46.40	329.68	6.24	-40.16
C1=CC=C(C2=NC3=C(CCC3)C(SCCC3=NN=N[N-]3)=N2)N=C1	REAL300020219297	1	37	-1.0	-46.42	329.74	6.26	-40.16
CC1=NC(C2=CC=NC=C2)=NC(SCCC2=N[N-]N=N2)=C1C	REAL300020219298	0	36	-1.0	-43.91	320.82	5.57	-38.34
CC1=NC(C2=CC=NC=C2)=NC(SCCC2=NN=N[N-]2)=C1C	REAL300020219298	1	36	-1.0	-43.90	320.88	5.58	-38.32
O=[N+]([O-])C1=CC(S(=O)(=O)C(F)F)=CC=C1SCCC1=N[N-]N=N1	REAL300020219299	0	31	-1.0	-42.23	314.26	3.20	-39.03
O=[N+]([O-])C1=CC(S(=O)(=O)C(F)F)=CC=C1SCCC1=NN=N[N-]1	REAL300020219299	1	31	-1.0	-42.27	314.31	3.22	-39.05
CCNS(=O)(=O)C1=CC=C(SCCC2=NN=N[N-]2)N=C1	REAL300020219300	0	33	-1.0	-43.83	312.74	0.17	-43.66
CCNS(=O)(=O)C1=CC=C(SCCC2=N[N-]N=N2)N=C1	REAL300020219300	1	33	-1.0	-43.81	312.68	0.15	-43.66
N#CC1=CC=C(C(F)(F)F)N=C1SCCC1=NN=N[N-]1	REAL300020219301	0	26	-1.0	-43.16	274.29	4.63	-38.53
N#CC1=CC=C(C(F)(F)F)N=C1SCCC1=N[N-]N=N1	REAL300020219301	1	26	-1.0	-43.16	274.23	4.61	-38.55
O=C1NC(SCCC2=N[N-]N=N2)=NC2=C1C=NN2C1=CC=CC=C1	REAL300020219302	0	35	-1.0	-41.02	325.50	5.44	-35.58
O=C1NC(SCCC2=NN=N[N-]2)=NC2=C1C=NN2C1=CC=CC=C1	REAL300020219302	1	35	-1.0	-41.02	325.56	5.45	-35.57
N#CC1=CC(SCCC2=NN=N[N-]2)=NC2=CC=C([N+](=O)[O-])C=C12	REAL300020219303	0	31	-1.0	-38.24	308.35	6.37	-31.87
N#CC1=CC(SCCC2=N[N-]N=N2)=NC2=CC=C([N+](=O)[O-])C=C12	REAL300020219303	1	31	-1.0	-38.25	308.29	6.36	-31.89
O=[N+]([O-])C1=CC=C(SCCC2=N[N-]N=N2)C=C1OC(F)F	REAL300020219304	0	29	-1.0	-37.99	282.02	5.79	-32.20
O=[N+]([O-])C1=CC=C(SCCC2=NN=N[N-]2)C=C1OC(F)F	REAL300020219304	1	29	-1.0	-38.02	282.07	5.80	-32.22
FC(F)(F)C1=CC(SCCC2=N[N-]N=N2)=NC(C2=CC=NC=C2)=N1	REAL300020219305	0	33	-1.0	-37.99	323.79	5.51	-32.48
FC(F)(F)C1=CC(SCCC2=NN=N[N-]2)=NC(C2=CC=NC=C2)=N1	REAL300020219305	1	33	-1.0	-38.02	323.84	5.53	-32.49
C1=C(C2=CC=CN=C2)N=C2SC(SCCC3=NN=N[N-]3)=NN12	REAL300020219306	0	31	-1.0	-41.45	307.25	4.74	-36.71
C1=C(C2=CC=CN=C2)N=C2SC(SCCC3=N[N-]N=N3)=NN12	REAL300020219306	1	31	-1.0	-41.44	307.19	4.73	-36.71
IC1=CC2=C(SCCC3=NN=N[N-]3)N=CN=C2C=C1	REAL300020219307	0	27	-1.0	-38.53	281.23	6.17	-32.36
IC1=CC2=C(SCCC3=N[N-]N=N3)N=CN=C2C=C1	REAL300020219307	1	27	-1.0	-38.52	281.17	6.15	-32.37
CCOC(=O)C1=CC=NC(SCCC2=NN=N[N-]2)=C1[N+](=O)[O-]	REAL300020219308	0	33	-1.0	-45.47	318.64	6.05	-39.42
CCOC(=O)C1=CC=NC(SCCC2=N[N-]N=N2)=C1[N+](=O)[O-]	REAL300020219308	1	33	-1.0	-45.46	318.59	6.04	-39.42
CC1=NC(C2=CC=CN=C2)=NC(SCCC2=NN=N[N-]2)=C1C	REAL300020219309	0	36	-1.0	-42.85	320.00	5.56	-37.29
CC1=NC(C2=CC=CN=C2)=NC(SCCC2=N[N-]N=N2)=C1C	REAL300020219309	1	36	-1.0	-42.83	319.94	5.54	-37.29
O=[N+]([O-])C1=CC2=C(SCCC3=NN=N[N-]3)N=CN=C2C=C1	REAL300020219310	0	29	-1.0	-38.84	281.54	5.75	-33.09
O=[N+]([O-])C1=CC2=C(SCCC3=N[N-]N=N3)N=CN=C2C=C1	REAL300020219310	1	29	-1.0	-38.83	281.48	5.74	-33.09
ClC1=CC(Cl)=CC(C2=NOC(SCCC3=NN=N[N-]3)=N2)=C1	REAL300020219311	0	28	-1.0	-35.85	304.47	4.42	-31.43
ClC1=CC(Cl)=CC(C2=NOC(SCCC3=N[N-]N=N3)=N2)=C1	REAL300020219311	1	28	-1.0	-35.86	304.41	4.41	-31.45
C1=CC=C(C2=NN=C3C=C(SCCC4=N[N-]N=N4)N=CN32)C=C1	REAL300020219312	0	34	-1.0	-41.22	310.93	8.52	-32.70
C1=CC=C(C2=NN=C3C=C(SCCC4=NN=N[N-]4)N=CN32)C=C1	REAL300020219312	1	34	-1.0	-41.23	310.99	8.53	-32.70
ClC1=CC=CC(C2=NC3=C(CCCC3)C(SCCC3=NN=N[N-]3)=N2)=C1	REAL300020219313	0	41	-1.0	-41.07	365.88	9.16	-31.91
ClC1=CC=CC(C2=NC3=C(CCCC3)C(SCCC3=N[N-]N=N3)=N2)=C1	REAL300020219313	1	41	-1.0	-41.04	365.83	9.14	-31.90
O=[N+]([O-])C1=CN=C(SCCC2=NN=N[N-]2)C(Br)=C1	REAL300020219314	0	24	-1.0	-35.99	262.53	4.39	-31.60
O=[N+]([O-])C1=CN=C(SCCC2=N[N-]N=N2)C(Br)=C1	REAL300020219314	1	24	-1.0	-36.00	262.47	4.37	-31.63
CN(C)S(=O)(=O)C1=CC=C(SCCC2=N[N-]N=N2)C([N+](=O)[O-])=C1	REAL300020219315	0	36	-1.0	-40.88	335.87	3.28	-37.60
CN(C)S(=O)(=O)C1=CC=C(SCCC2=NN=N[N-]2)C([N+](=O)[O-])=C1	REAL300020219315	1	36	-1.0	-40.88	335.93	3.29	-37.59
CC1=C(C)C(SCCC2=N[N-]N=N2)=NN2C1=NN=C2C(F)(F)F	REAL300020219316	0	33	-1.0	-45.56	315.24	5.64	-39.92
CC1=C(C)C(SCCC2=NN=N[N-]2)=NN2C1=NN=C2C(F)(F)F	REAL300020219316	1	33	-1.0	-45.57	315.30	5.65	-39.92
COCC1=CC(SCCC2=N[N-]N=N2)=NC(C(C)(C)C)=N1	REAL300020219317	0	40	-1.0	-40.18	344.41	4.76	-35.42
COCC1=CC(SCCC2=NN=N[N-]2)=NC(C(C)(C)C)=N1	REAL300020219317	1	40	-1.0	-40.17	344.47	4.77	-35.40
O=[N+]([O-])C1=CC(Br)=CN=C1SCCC1=NN=N[N-]1	REAL300020219318	0	24	-1.0	-37.57	260.04	4.32	-33.25
O=[N+]([O-])C1=CC(Br)=CN=C1SCCC1=N[N-]N=N1	REAL300020219318	1	24	-1.0	-37.56	259.99	4.30	-33.26
O=[N+]([O-])C1=CN=C(SCCC2=NN=N[N-]2)C(Br)=C1	REAL300020219319	0	24	-1.0	-35.99	262.53	4.39	-31.60
O=[N+]([O-])C1=CN=C(SCCC2=N[N-]N=N2)C(Br)=C1	REAL300020219319	1	24	-1.0	-36.00	262.47	4.37	-31.63
CC(C)(C)C1=CC(SCCC2=NN=N[N-]2)=NC(C(C)(C)C)=N1	REAL300020219320	0	45	-1.0	-39.97	370.87	7.54	-32.43
CC(C)(C)C1=CC(SCCC2=N[N-]N=N2)=NC(C(C)(C)C)=N1	REAL300020219320	1	45	-1.0	-39.96	370.82	7.52	-32.44
O=[N+]([O-])C1=CC=C(SCCC2=N[N-]N=N2)C=C1C(F)(F)F	REAL300020219321	0	28	-1.0	-35.23	275.07	6.17	-29.06
O=[N+]([O-])C1=CC=C(SCCC2=NN=N[N-]2)C=C1C(F)(F)F	REAL300020219321	1	28	-1.0	-35.27	275.12	6.19	-29.08
CC(C)(C)N1N=CC2=C(SCCC3=NN=N[N-]3)N=CN=C21	REAL300020219322	0	36	-1.0	-40.31	317.08	5.92	-34.39
CC(C)(C)N1N=CC2=C(SCCC3=N[N-]N=N3)N=CN=C21	REAL300020219322	1	36	-1.0	-40.31	317.02	5.90	-34.41
FC1=CC2=NC=NC(SCCC3=NN=N[N-]3)=C2C=C1Br	REAL300020219323	0	27	-1.0	-36.57	280.37	5.73	-30.84
FC1=CC2=NC=NC(SCCC3=N[N-]N=N3)=C2C=C1Br	REAL300020219323	1	27	-1.0	-36.55	280.32	5.71	-30.84
COC(=O)C1=CN=C(SCCC2=NN=N[N-]2)C=C1C(F)(F)F	REAL300020219324	0	31	-1.0	-38.19	299.76	4.67	-33.52
COC(=O)C1=CN=C(SCCC2=N[N-]N=N2)C=C1C(F)(F)F	REAL300020219324	1	31	-1.0	-38.19	299.71	4.65	-33.54
IC1=CC=CC2=NC=NC(SCCC3=NN=N[N-]3)=C12	REAL300020219325	0	27	-1.0	-43.91	271.87	5.83	-38.08
IC1=CC=CC2=NC=NC(SCCC3=N[N-]N=N3)=C12	REAL300020219325	1	27	-1.0	-43.90	271.81	5.81	-38.09
NS(=O)(=O)C1=CC=CC(SCCC2=N[N-]N=N2)=C1[N+](=O)[O-]	REAL300020219326	0	30	-1.0	-42.30	293.73	1.15	-41.15
NS(=O)(=O)C1=CC=CC(SCCC2=NN=N[N-]2)=C1[N+](=O)[O-]	REAL300020219326	1	30	-1.0	-42.32	293.79	1.17	-41.15
O=[N+]([O-])C1=CC(Cl)=C(SCCC2=N[N-]N=N2)C(Cl)=C1	REAL300020219327	0	25	-1.0	-34.59	279.30	6.47	-28.12
O=[N+]([O-])C1=CC(Cl)=C(SCCC2=NN=N[N-]2)C(Cl)=C1	REAL300020219327	1	25	-1.0	-34.60	279.36	6.49	-28.11
CS(=O)(=O)C1=CC([N+](=O)[O-])=C(SCCC2=N[N-]N=N2)S1	REAL300020219328	0	28	-1.0	-43.10	299.93	1.56	-41.54
CS(=O)(=O)C1=CC([N+](=O)[O-])=C(SCCC2=NN=N[N-]2)S1	REAL300020219328	1	28	-1.0	-43.10	299.99	1.58	-41.52
O=[N+]([O-])C1=CC=C(SCCC2=NN=N[N-]2)N=C1C1=CC=CC=C1	REAL300020219329	0	34	-1.0	-41.93	318.75	7.34	-34.59
O=[N+]([O-])C1=CC=C(SCCC2=N[N-]N=N2)N=C1C1=CC=CC=C1	REAL300020219329	1	34	-1.0	-41.92	318.69	7.33	-34.59
COC1=CC(SCCC2=N[N-]N=N2)=C([N+](=O)[O-])C=C1OC	REAL300020219330	0	33	-1.0	-37.79	299.05	4.49	-33.30
COC1=CC(SCCC2=NN=N[N-]2)=C([N+](=O)[O-])C=C1OC	REAL300020219330	1	33	-1.0	-37.76	299.11	4.50	-33.26
O=[N+]([O-])C1=CC(C(F)(F)F)=CC=C1SCCC1=N[N-]N=N1	REAL300020219331	0	28	-1.0	-35.75	279.12	6.28	-29.47
O=[N+]([O-])C1=CC(C(F)(F)F)=CC=C1SCCC1=NN=N[N-]1	REAL300020219331	1	28	-1.0	-35.72	279.18	6.30	-29.42
CC1=C([N+](=O)[O-])C=NC(SCCC2=N[N-]N=N2)=C1Br	REAL300020219332	0	27	-1.0	-36.47	278.16	4.90	-31.57
CC1=C([N+](=O)[O-])C=NC(SCCC2=NN=N[N-]2)=C1Br	REAL300020219332	1	27	-1.0	-36.46	278.22	4.92	-31.54
O=[N+]([O-])C1=CC=CC2=NC=NC(SCCC3=NN=N[N-]3)=C12	REAL300020219333	0	29	-1.0	-46.61	276.27	5.78	-40.83
O=[N+]([O-])C1=CC=CC2=NC=NC(SCCC3=N[N-]N=N3)=C12	REAL300020219333	1	29	-1.0	-46.60	276.22	5.77	-40.83
ClC1=CC2=NC=C(SCCC3=NN=N[N-]3)N=C2C=C1Cl	REAL300020219334	0	27	-1.0	-38.16	287.44	4.43	-33.73
ClC1=CC2=NC=C(SCCC3=N[N-]N=N3)N=C2C=C1Cl	REAL300020219334	1	27	-1.0	-38.19	287.38	4.41	-33.78
COC(=O)C1=CC([N+](=O)[O-])=C(C)C=C1SCCC1=N[N-]N=N1	REAL300020219335	0	34	-1.0	-36.84	312.82	6.54	-30.30
COC(=O)C1=CC([N+](=O)[O-])=C(C)C=C1SCCC1=NN=N[N-]1	REAL300020219335	1	34	-1.0	-36.84	312.88	6.55	-30.29
CC(C)C1=NC(SCCC2=N[N-]N=N2)=CC(C(C)(C)C)=N1	REAL300020219336	0	42	-1.0	-39.69	352.18	6.75	-32.94
CC(C)C1=NC(SCCC2=NN=N[N-]2)=CC(C(C)(C)C)=N1	REAL300020219336	1	42	-1.0	-39.66	352.23	6.76	-32.90
CS(=O)(=O)C1=CC2=C(SCCC3=NN=N[N-]3)N=CN=C2C=C1	REAL300020219337	0	33	-1.0	-47.17	313.99	2.61	-44.56
CS(=O)(=O)C1=CC2=C(SCCC3=N[N-]N=N3)N=CN=C2C=C1	REAL300020219337	1	33	-1.0	-47.19	313.93	2.59	-44.60
CS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1SCCC1=N[N-]N=N1	REAL300020219338	0	31	-1.0	-40.77	298.09	2.86	-37.91
CS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1SCCC1=NN=N[N-]1	REAL300020219338	1	31	-1.0	-40.83	298.15	2.88	-37.95
ClC1=CC=C(C2=CN3N=C(SCCC4=NN=N[N-]4)SC3=N2)C=C1	REAL300020219339	0	32	-1.0	-39.26	328.96	7.05	-32.21
ClC1=CC=C(C2=CN3N=C(SCCC4=N[N-]N=N4)SC3=N2)C=C1	REAL300020219339	1	32	-1.0	-39.26	328.90	7.04	-32.22
C1=CC(C2=NN=C3C=CC(SCCC4=N[N-]N=N4)=NN32)=CS1	REAL300020219340	0	31	-1.0	-44.57	306.21	6.22	-38.35
C1=CC(C2=NN=C3C=CC(SCCC4=NN=N[N-]4)=NN32)=CS1	REAL300020219340	1	31	-1.0	-44.57	306.27	6.23	-38.34
O=[N+]([O-])C1=CC=C(SCCC2=NN=N[N-]2)N=C1OCC1=CC=CC=C1	REAL300020219341	0	38	-1.0	-42.93	355.05	7.19	-35.74
O=[N+]([O-])C1=CC=C(SCCC2=N[N-]N=N2)N=C1OCC1=CC=CC=C1	REAL300020219341	1	38	-1.0	-42.90	355.00	7.17	-35.73
N#CC1=C2CCCCCCC2=NC(SCCC2=N[N-]N=N2)=C1C#N	REAL300020219342	0	40	-1.0	-38.33	341.66	6.95	-31.38
N#CC1=C2CCCCCCC2=NC(SCCC2=NN=N[N-]2)=C1C#N	REAL300020219342	1	40	-1.0	-38.31	341.72	6.96	-31.35
N#CC1=C2CCCCCCC2=NC(SCCC2=N[N-]N=N2)=C1C#N	REAL300020219343	0	40	-1.0	-38.33	341.66	6.95	-31.38
N#CC1=C2CCCCCCC2=NC(SCCC2=NN=N[N-]2)=C1C#N	REAL300020219343	1	40	-1.0	-38.31	341.72	6.96	-31.35
N#CC1=C(SCCC2=NN=N[N-]2)C2=CC(F)=C(F)C(F)=C2N=C1	REAL300020219344	0	29	-1.0	-37.21	298.15	5.70	-31.51
N#CC1=C(SCCC2=N[N-]N=N2)C2=CC(F)=C(F)C(F)=C2N=C1	REAL300020219344	1	29	-1.0	-37.21	298.10	5.69	-31.52
COC1=CC2=C(SCCC3=NN=N[N-]3)C(C#N)=CN=C2C(OC)=C1	REAL300020219345	0	37	-1.0	-43.22	338.05	4.16	-39.06
COC1=CC2=C(SCCC3=N[N-]N=N3)C(C#N)=CN=C2C(OC)=C1	REAL300020219345	1	37	-1.0	-43.19	337.99	4.15	-39.04
COC(=O)C1=CC=C([N+](=O)[O-])C(SCCC2=NN=N[N-]2)=N1	REAL300020219346	0	30	-1.0	-41.63	294.43	4.32	-37.31
COC(=O)C1=CC=C([N+](=O)[O-])C(SCCC2=N[N-]N=N2)=N1	REAL300020219346	1	30	-1.0	-41.60	294.38	4.30	-37.30
ClC1=CC(Cl)=C2OC(SCCC3=NN=N[N-]3)=NC2=C1	REAL300020219347	0	25	-1.0	-37.25	275.78	2.76	-34.49
ClC1=CC(Cl)=C2OC(SCCC3=N[N-]N=N3)=NC2=C1	REAL300020219347	1	25	-1.0	-37.25	275.72	2.74	-34.51
O=[N+]([O-])C1=CC=C(SCCC2=N[N-]N=N2)C(Br)=C1	REAL300020219348	0	25	-1.0	-34.10	264.17	5.99	-28.11
O=[N+]([O-])C1=CC=C(SCCC2=NN=N[N-]2)C(Br)=C1	REAL300020219348	1	25	-1.0	-34.12	264.23	6.00	-28.12
O=[N+]([O-])C1=CC(Cl)=C(SCCC2=N[N-]N=N2)C(Cl)=C1	REAL300020219349	0	25	-1.0	-34.59	279.30	6.47	-28.12
O=[N+]([O-])C1=CC(Cl)=C(SCCC2=NN=N[N-]2)C(Cl)=C1	REAL300020219349	1	25	-1.0	-34.60	279.36	6.49	-28.11
O=[N+]([O-])C1=CN=C(C(F)(F)F)C=C1SCCC1=NN=N[N-]1	REAL300020219350	0	27	-1.0	-34.93	276.41	4.64	-30.29
O=[N+]([O-])C1=CN=C(C(F)(F)F)C=C1SCCC1=N[N-]N=N1	REAL300020219350	1	27	-1.0	-34.93	276.35	4.62	-30.31
O=[N+]([O-])C1=CC=C(SCCC2=NN=N[N-]2)N=C1C1=CC=C(F)C=C1	REAL300020219351	0	34	-1.0	-40.09	325.17	7.41	-32.68
O=[N+]([O-])C1=CC=C(SCCC2=N[N-]N=N2)N=C1C1=CC=C(F)C=C1	REAL300020219351	1	34	-1.0	-40.08	325.11	7.40	-32.68
C1=CC=C(OC2=CC=NC(SCCC3=NN=N[N-]3)=N2)C=C1	REAL300020219352	0	32	-1.0	-41.10	301.08	4.42	-36.68
C1=CC=C(OC2=CC=NC(SCCC3=N[N-]N=N3)=N2)C=C1	REAL300020219352	1	32	-1.0	-41.07	301.02	4.41	-36.66
OC[C@H]1O[C@@H](N2C=NC3=C(SCCC4=NN=N[N-]4)N=CN=C32)[C@H](O)[C@@H]1O	REAL300020219353	0	41	-1.0	-51.05	368.33	-2.70	-53.75
OC[C@H]1O[C@@H](N2C=NC3=C(SCCC4=N[N-]N=N4)N=CN=C32)[C@H](O)[C@@H]1O	REAL300020219353	1	41	-1.0	-51.05	368.27	-2.72	-53.77
CC(C)CC1=NC=NC(SCCC2=N[N-]N=N2)=C1I	REAL300020219354	0	33	-1.0	-37.59	313.63	6.72	-30.87
CC(C)CC1=NC=NC(SCCC2=NN=N[N-]2)=C1I	REAL300020219354	1	33	-1.0	-37.61	313.69	6.73	-30.88
O=[N+]([O-])C1=CN=C(C(F)(F)C(F)(F)F)C=C1SCCC1=NN=N[N-]1	REAL300020219355	0	30	-1.0	-34.80	307.10	5.92	-28.88
O=[N+]([O-])C1=CN=C(C(F)(F)C(F)(F)F)C=C1SCCC1=N[N-]N=N1	REAL300020219355	1	30	-1.0	-34.81	307.05	5.90	-28.91
COC(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1SCCC1=N[N-]N=N1	REAL300020219356	0	31	-1.0	-38.08	314.56	6.53	-31.55
COC(=O)C1=CC([N+](=O)[O-])=CC(Cl)=C1SCCC1=NN=N[N-]1	REAL300020219356	1	31	-1.0	-38.09	314.61	6.54	-31.55
CC1=CC=C(C2=C3C4=C(CCC4)SC3=NC(SCCC3=NN=N[N-]3)=N2)C=C1	REAL300020219357	0	44	-1.0	-46.84	384.70	9.44	-37.40
CC1=CC=C(C2=C3C4=C(CCC4)SC3=NC(SCCC3=N[N-]N=N3)=N2)C=C1	REAL300020219357	1	44	-1.0	-46.85	384.64	9.42	-37.43
COC(=O)C1=CN=C(SCCC2=NN=N[N-]2)C([N+](=O)[O-])=C1	REAL300020219358	0	30	-1.0	-38.79	292.84	4.39	-34.40
COC(=O)C1=CN=C(SCCC2=N[N-]N=N2)C([N+](=O)[O-])=C1	REAL300020219358	1	30	-1.0	-38.78	292.78	4.38	-34.40
O=[N+]([O-])C1=CC2=CC=CC=C2N=C1SCCC1=NN=N[N-]1	REAL300020219359	0	30	-1.0	-45.71	284.17	5.91	-39.80
O=[N+]([O-])C1=CC2=CC=CC=C2N=C1SCCC1=N[N-]N=N1	REAL300020219359	1	30	-1.0	-45.72	284.12	5.89	-39.83
O=S1(=O)N=C(Cl)C2=CC=C(SCCC3=N[N-]N=N3)C=C21	REAL300020219360	0	27	-1.0	-39.00	284.05	1.47	-37.53
O=S1(=O)N=C(Cl)C2=CC=C(SCCC3=NN=N[N-]3)C=C21	REAL300020219360	1	27	-1.0	-39.01	284.11	1.48	-37.53
O=[N+]([O-])C1=CC2=C(SCCC3=NN=N[N-]3)N=CN=C2S1	REAL300020219361	0	26	-1.0	-36.75	275.68	5.10	-31.65
O=[N+]([O-])C1=CC2=C(SCCC3=N[N-]N=N3)N=CN=C2S1	REAL300020219361	1	26	-1.0	-36.70	275.62	5.09	-31.61
N#CC1=CC(F)=C(SCCC2=N[N-]N=N2)C=C1Br	REAL300020219362	0	24	-1.0	-34.87	263.04	5.69	-29.18
N#CC1=CC(F)=C(SCCC2=NN=N[N-]2)C=C1Br	REAL300020219362	1	24	-1.0	-34.92	263.10	5.70	-29.22
FC(F)(F)C1=CN=C(SCCC2=NN=N[N-]2)C(Cl)=C1	REAL300020219363	0	25	-1.0	-36.50	269.11	4.62	-31.88
FC(F)(F)C1=CN=C(SCCC2=N[N-]N=N2)C(Cl)=C1	REAL300020219363	1	25	-1.0	-36.53	269.05	4.60	-31.93
C1=CC2=C(C=C1)C1=C(N=CN=C1SCCC1=NN=N[N-]1)S2	REAL300020219364	0	30	-1.0	-42.22	287.08	6.41	-35.81
C1=CC2=C(C=C1)C1=C(N=CN=C1SCCC1=N[N-]N=N1)S2	REAL300020219364	1	30	-1.0	-42.22	287.02	6.40	-35.82
CCOC(=O)C1=NC(SCCC2=NN=N[N-]2)=CC(C(C)(C)C)=N1	REAL300020219365	0	42	-1.0	-43.35	367.39	6.56	-36.79
CCOC(=O)C1=NC(SCCC2=N[N-]N=N2)=CC(C(C)(C)C)=N1	REAL300020219365	1	42	-1.0	-43.38	367.34	6.54	-36.84
COC(=O)C1=CC(C)=NC(SCCC2=N[N-]N=N2)=C1[N+](=O)[O-]	REAL300020219366	0	33	-1.0	-45.20	318.31	5.72	-39.48
COC(=O)C1=CC(C)=NC(SCCC2=NN=N[N-]2)=C1[N+](=O)[O-]	REAL300020219366	1	33	-1.0	-45.22	318.37	5.74	-39.48
CC1=NC(C)=C(Br)C(SCCC2=N[N-]N=N2)=N1	REAL300020219367	0	27	-1.0	-38.36	269.19	4.06	-34.30
CC1=NC(C)=C(Br)C(SCCC2=NN=N[N-]2)=N1	REAL300020219367	1	27	-1.0	-38.36	269.25	4.07	-34.29
O=[N+]([O-])C1=CC=CC2=C(SCCC3=NN=N[N-]3)N=CC=C12	REAL300020219368	0	30	-1.0	-42.96	283.51	5.98	-36.98
O=[N+]([O-])C1=CC=CC2=C(SCCC3=N[N-]N=N3)N=CC=C12	REAL300020219368	1	30	-1.0	-42.95	283.45	5.96	-36.99
N#CC1=CC(Br)=CN=C1SCCC1=NN=N[N-]1	REAL300020219369	0	23	-1.0	-37.41	255.13	4.13	-33.28
N#CC1=CC(Br)=CN=C1SCCC1=N[N-]N=N1	REAL300020219369	1	23	-1.0	-37.38	255.07	4.12	-33.26
O=[N+]([O-])C1=C(SCCC2=NN=N[N-]2)N=CN=C1N1CCOCC1	REAL300020219370	0	36	-1.0	-38.03	329.44	3.66	-34.37
O=[N+]([O-])C1=C(SCCC2=N[N-]N=N2)N=CN=C1N1CCOCC1	REAL300020219370	1	36	-1.0	-38.04	329.38	3.65	-34.39
COC(=O)CC1=CC=C(SCCC2=N[N-]N=N2)C([N+](=O)[O-])=C1	REAL300020219371	0	34	-1.0	-44.32	317.35	6.71	-37.61
COC(=O)CC1=CC=C(SCCC2=NN=N[N-]2)C([N+](=O)[O-])=C1	REAL300020219371	1	34	-1.0	-44.33	317.40	6.73	-37.60
FC(F)(F)C1=CC(Cl)=C(SCCC2=NN=N[N-]2)N=C1Cl	REAL300020219372	0	25	-1.0	-37.03	282.13	4.94	-32.09
FC(F)(F)C1=CC(Cl)=C(SCCC2=N[N-]N=N2)N=C1Cl	REAL300020219372	1	25	-1.0	-37.03	282.07	4.93	-32.10
O=[N+]([O-])C1=C(Br)C=CC=C1SCCC1=N[N-]N=N1	REAL300020219373	0	25	-1.0	-38.25	266.82	6.23	-32.02
O=[N+]([O-])C1=C(Br)C=CC=C1SCCC1=NN=N[N-]1	REAL300020219373	1	25	-1.0	-38.28	266.87	6.25	-32.03
CS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1SCCC1=N[N-]N=N1	REAL300020219374	0	31	-1.0	-40.77	298.09	2.86	-37.91
CS(=O)(=O)C1=CC([N+](=O)[O-])=CC=C1SCCC1=NN=N[N-]1	REAL300020219374	1	31	-1.0	-40.83	298.15	2.88	-37.95
COC(=O)C1=CC=NC(SCCC2=NN=N[N-]2)=C1[N+](=O)[O-]	REAL300020219375	0	30	-1.0	-45.99	296.80	5.12	-40.87
COC(=O)C1=CC=NC(SCCC2=N[N-]N=N2)=C1[N+](=O)[O-]	REAL300020219375	1	30	-1.0	-45.98	296.74	5.11	-40.87
CC(=O)C1=CC=C(C(F)(F)F)N=C1SCCC1=N[N-]N=N1	REAL300020219376	0	30	-1.0	-50.90	291.75	4.75	-46.15
CC(=O)C1=CC=C(C(F)(F)F)N=C1SCCC1=NN=N[N-]1	REAL300020219376	1	30	-1.0	-50.91	291.80	4.77	-46.14
CC1=CC(SCCC2=N[N-]N=N2)=C(C(F)(F)F)C=C1[N+](=O)[O-]	REAL300020219377	0	31	-1.0	-33.56	295.68	6.82	-26.74
CC1=CC(SCCC2=NN=N[N-]2)=C(C(F)(F)F)C=C1[N+](=O)[O-]	REAL300020219377	1	31	-1.0	-33.56	295.73	6.83	-26.73
ClC1=NC2=C(SCCC3=NN=N[N-]3)N=C(Cl)N=C2C=C1	REAL300020219378	0	26	-1.0	-41.50	284.04	3.63	-37.87
ClC1=NC2=C(SCCC3=N[N-]N=N3)N=C(Cl)N=C2C=C1	REAL300020219378	1	26	-1.0	-41.51	283.98	3.62	-37.89
COC(=O)C1=CN=C(SCCC2=NN=N[N-]2)C([N+](=O)[O-])=C1	REAL300020219379	0	30	-1.0	-38.79	292.84	4.39	-34.40
COC(=O)C1=CN=C(SCCC2=N[N-]N=N2)C([N+](=O)[O-])=C1	REAL300020219379	1	30	-1.0	-38.78	292.78	4.38	-34.40
FC1=CC=C(CC2=NC=CC(SCCC3=N[N-]N=N3)=N2)C=C1	REAL300020219380	0	34	-1.0	-41.11	318.84	6.65	-34.46
FC1=CC=C(CC2=NC=CC(SCCC3=NN=N[N-]3)=N2)C=C1	REAL300020219380	1	34	-1.0	-41.11	318.90	6.67	-34.44
CC1=CC(SCCC2=N[N-]N=N2)=C([N+](=O)[O-])C=C1C(F)(F)F	REAL300020219381	0	31	-1.0	-35.15	294.77	6.79	-28.36
CC1=CC(SCCC2=NN=N[N-]2)=C([N+](=O)[O-])C=C1C(F)(F)F	REAL300020219381	1	31	-1.0	-35.17	294.83	6.81	-28.36
O=[N+]([O-])C1=CC(Br)=CN=C1SCCC1=NN=N[N-]1	REAL300020219382	0	24	-1.0	-37.57	260.04	4.32	-33.25
O=[N+]([O-])C1=CC(Br)=CN=C1SCCC1=N[N-]N=N1	REAL300020219382	1	24	-1.0	-37.56	259.99	4.30	-33.26
CSC1=NC(SCCC2=N[N-]N=N2)=CC(C(F)F)=N1	REAL300020219383	0	28	-1.0	-38.45	285.58	4.42	-34.03
CSC1=NC(SCCC2=NN=N[N-]2)=CC(C(F)F)=N1	REAL300020219383	1	28	-1.0	-38.46	285.64	4.44	-34.02
CC(C)C1=CC2=C(SCCC3=NN=N[N-]3)N=CN=C2C=C1	REAL300020219384	0	36	-1.0	-41.08	313.45	6.98	-34.10
CC(C)C1=CC2=C(SCCC3=N[N-]N=N3)N=CN=C2C=C1	REAL300020219384	1	36	-1.0	-41.09	313.39	6.97	-34.12
O=[N+]([O-])C1=CC2=C(SCCC3=NN=N[N-]3)N=CN=C2C(Cl)=C1	REAL300020219385	0	29	-1.0	-36.71	297.66	6.35	-30.36
O=[N+]([O-])C1=CC2=C(SCCC3=N[N-]N=N3)N=CN=C2C(Cl)=C1	REAL300020219385	1	29	-1.0	-36.71	297.60	6.34	-30.37
FC1=CC2=C(SCCC3=N[N-]N=N3)N=C(C(F)F)N=C2C=C1	REAL300020219386	0	30	-1.0	-39.69	294.73	5.25	-34.44
FC1=CC2=C(SCCC3=NN=N[N-]3)N=C(C(F)F)N=C2C=C1	REAL300020219386	1	30	-1.0	-39.68	294.79	5.27	-34.41
N#CC1=C(SCCC2=NN=N[N-]2)C2=CC=CC(Cl)=C2N=C1	REAL300020219387	0	29	-1.0	-39.56	295.39	6.10	-33.46
N#CC1=C(SCCC2=N[N-]N=N2)C2=CC=CC(Cl)=C2N=C1	REAL300020219387	1	29	-1.0	-39.50	295.33	6.08	-33.42
O=[N+]([O-])C1=CN=C(SCCC2=NN=N[N-]2)C(C(F)(F)F)=C1	REAL300020219388	0	27	-1.0	-35.48	278.21	4.71	-30.77
O=[N+]([O-])C1=CN=C(SCCC2=N[N-]N=N2)C(C(F)(F)F)=C1	REAL300020219388	1	27	-1.0	-35.44	278.15	4.69	-30.75
CC1=CC(SCCC2=NN=N[N-]2)=NC(C2=CC=CS2)=N1	REAL300020219389	0	31	-1.0	-43.03	302.11	5.77	-37.26
CC1=CC(SCCC2=N[N-]N=N2)=NC(C2=CC=CS2)=N1	REAL300020219389	1	31	-1.0	-43.00	302.06	5.76	-37.24
O=[N+]([O-])C1=CC2=C(SCCC3=NN=N[N-]3)N=CC=C2C=C1	REAL300020219390	0	30	-1.0	-43.29	286.25	6.08	-37.21
O=[N+]([O-])C1=CC2=C(SCCC3=N[N-]N=N3)N=CC=C2C=C1	REAL300020219390	1	30	-1.0	-43.25	286.19	6.06	-37.19
CC1=CC=C(C2=NC3=CC=CC=C3C(SCCC3=NN=N[N-]3)=N2)S1	REAL300020219391	0	37	-1.0	-45.91	347.05	8.09	-37.82
CC1=CC=C(C2=NC3=CC=CC=C3C(SCCC3=N[N-]N=N3)=N2)S1	REAL300020219391	1	37	-1.0	-45.90	346.99	8.08	-37.82
C1=NN2C(=C1)N=C(C1=CC=CC=C1)C=C2SCCC1=NN=N[N-]1	REAL300020219392	0	35	-1.0	-39.50	315.04	7.19	-32.31
C1=NN2C(=C1)N=C(C1=CC=CC=C1)C=C2SCCC1=N[N-]N=N1	REAL300020219392	1	35	-1.0	-39.51	314.98	7.18	-32.33
CSC1=CC(SCCC2=NN=N[N-]2)=NC(SC)=N1	REAL300020219393	0	29	-1.0	-41.39	295.33	4.77	-36.62
CSC1=CC(SCCC2=N[N-]N=N2)=NC(SC)=N1	REAL300020219393	1	29	-1.0	-41.40	295.27	4.76	-36.64
CCN1C(=O)C(SCCC2=NN=N[N-]2)=NC2=CC=CC=C21	REAL300020219394	0	34	-1.0	-45.81	304.04	4.89	-40.92
CCN1C(=O)C(SCCC2=N[N-]N=N2)=NC2=CC=CC=C21	REAL300020219394	1	34	-1.0	-45.80	303.98	4.88	-40.92
FC(F)(F)C1=C(Br)SC(SCCC2=NN=N[N-]2)=N1	REAL300020219395	0	22	-1.0	-32.80	263.56	3.62	-29.18
FC(F)(F)C1=C(Br)SC(SCCC2=N[N-]N=N2)=N1	REAL300020219395	1	22	-1.0	-32.78	263.50	3.61	-29.17
IC1=CC2=C(SCCC3=NN=N[N-]3)N=CN=C2S1	REAL300020219396	0	24	-1.0	-37.36	274.03	5.48	-31.88
IC1=CC2=C(SCCC3=N[N-]N=N3)N=CN=C2S1	REAL300020219396	1	24	-1.0	-37.30	273.97	5.47	-31.83
COC1=NC=C(Br)C(SCCC2=NN=N[N-]2)=N1	REAL300020219397	0	25	-1.0	-40.91	260.89	0.37	-40.54
COC1=NC=C(Br)C(SCCC2=N[N-]N=N2)=N1	REAL300020219397	1	25	-1.0	-40.94	260.84	0.36	-40.58
FC1=CC=CC2=CC(Br)=C(SCCC3=NN=N[N-]3)N=C12	REAL300020219398	0	28	-1.0	-48.92	285.99	6.02	-42.90
FC1=CC=CC2=CC(Br)=C(SCCC3=N[N-]N=N3)N=C12	REAL300020219398	1	28	-1.0	-48.89	285.93	6.01	-42.88
COC1=CC=CC(C2=NC3=CC=CC=C3C(SCCC3=NN=N[N-]3)=N2)=C1	REAL300020219399	0	41	-1.0	-50.95	362.32	7.67	-43.28
COC1=CC=CC(C2=NC3=CC=CC=C3C(SCCC3=N[N-]N=N3)=N2)=C1	REAL300020219399	1	41	-1.0	-50.95	362.26	7.65	-43.30
CCOC(=O)CCC1=CC(SCCC2=N[N-]N=N2)=NC(C)=N1	REAL300020219400	0	39	-1.0	-41.11	350.86	6.10	-35.01
CCOC(=O)CCC1=CC(SCCC2=NN=N[N-]2)=NC(C)=N1	REAL300020219400	1	39	-1.0	-41.12	350.92	6.12	-35.00
O=[N+]([O-])C1=CC2=C(CCCC2)N=C1SCCC1=N[N-]N=N1	REAL300020219401	0	34	-1.0	-41.77	301.70	6.14	-35.63
O=[N+]([O-])C1=CC2=C(CCCC2)N=C1SCCC1=NN=N[N-]1	REAL300020219401	1	34	-1.0	-41.76	301.76	6.15	-35.61
CC(C)OC1=NC(SCCC2=NN=N[N-]2)=CC=C1[N+](=O)[O-]	REAL300020219402	0	34	-1.0	-39.69	315.28	5.05	-34.64
CC(C)OC1=NC(SCCC2=N[N-]N=N2)=CC=C1[N+](=O)[O-]	REAL300020219402	1	34	-1.0	-39.69	315.22	5.03	-34.66
IC1=CC2=NC=NC(SCCC3=NN=N[N-]3)=C2S1	REAL300020219403	0	24	-1.0	-37.31	273.83	5.45	-31.86
IC1=CC2=NC=NC(SCCC3=N[N-]N=N3)=C2S1	REAL300020219403	1	24	-1.0	-37.35	273.77	5.44	-31.91
BrC1=CC2=NC=NC(SCCC3=NN=N[N-]3)=C2S1	REAL300020219404	0	24	-1.0	-37.30	267.29	4.97	-32.33
BrC1=CC2=NC=NC(SCCC3=N[N-]N=N3)=C2S1	REAL300020219404	1	24	-1.0	-37.27	267.23	4.96	-32.31
BrC1=NN=C2C=CC(SCCC3=NN=N[N-]3)=NN12	REAL300020219405	0	24	-1.0	-43.80	258.55	4.21	-39.59
BrC1=NN=C2C=CC(SCCC3=N[N-]N=N3)=NN12	REAL300020219405	1	24	-1.0	-43.75	258.49	4.19	-39.56
C1=CC=C(CSC2=CC(SCCC3=NN=N[N-]3)=NC=N2)C=C1	REAL300020219406	0	35	-1.0	-38.90	333.70	8.14	-30.76
C1=CC=C(CSC2=CC(SCCC3=N[N-]N=N3)=NC=N2)C=C1	REAL300020219406	1	35	-1.0	-38.87	333.64	8.12	-30.75
O=[N+]([O-])C1=C(SCCC2=NN=N[N-]2)C2=CC=C(F)C(F)=C2N=C1	REAL300020219407	0	30	-1.0	-38.84	296.06	5.85	-32.99
O=[N+]([O-])C1=C(SCCC2=N[N-]N=N2)C2=CC=C(F)C(F)=C2N=C1	REAL300020219407	1	30	-1.0	-38.84	296.01	5.84	-33.00
FC1=CC(F)=CC(C2=NSC(SCCC3=NN=N[N-]3)=N2)=C1	REAL300020219408	0	28	-1.0	-34.64	291.48	5.37	-29.27
FC1=CC(F)=CC(C2=NSC(SCCC3=N[N-]N=N3)=N2)=C1	REAL300020219408	1	28	-1.0	-34.66	291.43	5.36	-29.30
COC1=CC=C(C2=NC=CC(SCCC3=NN=N[N-]3)=N2)C=C1	REAL300020219409	0	35	-1.0	-42.62	318.22	5.59	-37.03
COC1=CC=C(C2=NC=CC(SCCC3=N[N-]N=N3)=N2)C=C1	REAL300020219409	1	35	-1.0	-42.63	318.16	5.57	-37.06
FC(F)OC1=C2SC(SCCC3=NN=N[N-]3)=NC2=CC=C1	REAL300020219410	0	29	-1.0	-42.21	291.27	4.01	-38.20
FC(F)OC1=C2SC(SCCC3=N[N-]N=N3)=NC2=CC=C1	REAL300020219410	1	29	-1.0	-42.21	291.21	4.00	-38.21
FC1=NC=NC(SCCC2=NN=N[N-]2)=C1Br	REAL300020219411	0	21	-1.0	-35.40	234.58	3.52	-31.88
FC1=NC=NC(SCCC2=N[N-]N=N2)=C1Br	REAL300020219411	1	21	-1.0	-35.41	234.52	3.50	-31.91
O=[N+]([O-])C1=CC=CC(Br)=C1SCCC1=N[N-]N=N1	REAL300020219412	0	25	-1.0	-44.15	263.90	5.96	-38.19
O=[N+]([O-])C1=CC=CC(Br)=C1SCCC1=NN=N[N-]1	REAL300020219412	1	25	-1.0	-44.15	263.96	5.98	-38.17
C1=CC=C(C2=NSC3=C(SCCC4=NN=N[N-]4)N=CN=C23)C=C1	REAL300020219413	0	33	-1.0	-38.71	319.82	6.87	-31.84
C1=CC=C(C2=NSC3=C(SCCC4=N[N-]N=N4)N=CN=C23)C=C1	REAL300020219413	1	33	-1.0	-38.74	319.76	6.85	-31.89
IC1=NC=C(SCCC2=NN=N[N-]2)C=N1	REAL300020219414	0	21	-1.0	-35.47	234.89	3.01	-32.46
IC1=NC=C(SCCC2=N[N-]N=N2)C=N1	REAL300020219414	1	21	-1.0	-35.46	234.84	3.00	-32.46
COC1=CC(C(F)(F)F)=NC(SCCC2=NN=N[N-]2)=N1	REAL300020219415	0	28	-1.0	-35.66	282.14	2.02	-33.64
COC1=CC(C(F)(F)F)=NC(SCCC2=N[N-]N=N2)=N1	REAL300020219415	1	28	-1.0	-35.67	282.08	2.01	-33.66
COC1=CC(SCCC2=N[N-]N=N2)=C(Cl)C=C1[N+](=O)[O-]	REAL300020219416	0	29	-1.0	-34.96	287.27	5.97	-28.99
COC1=CC(SCCC2=NN=N[N-]2)=C(Cl)C=C1[N+](=O)[O-]	REAL300020219416	1	29	-1.0	-34.98	287.32	5.98	-29.00
CCOC(=O)C1=NC(SCCC2=NN=N[N-]2)=CC=C1Br	REAL300020219417	0	31	-1.0	-42.58	308.80	5.20	-37.38
CCOC(=O)C1=NC(SCCC2=N[N-]N=N2)=CC=C1Br	REAL300020219417	1	31	-1.0	-42.58	308.75	5.18	-37.40
CC1=CC=CC=C1C1=NSC(SCCC2=N[N-]N=N2)=N1	REAL300020219418	0	31	-1.0	-38.33	298.06	5.47	-32.86
CC1=CC=CC=C1C1=NSC(SCCC2=NN=N[N-]2)=N1	REAL300020219418	1	31	-1.0	-38.29	298.12	5.48	-32.81
FC1=CC=C(C2=NN=C3C=CC(SCCC4=N[N-]N=N4)=NN32)C=C1	REAL300020219419	0	34	-1.0	-44.34	321.40	7.36	-36.98
FC1=CC=C(C2=NN=C3C=CC(SCCC4=NN=N[N-]4)=NN32)C=C1	REAL300020219419	1	34	-1.0	-44.36	321.45	7.38	-36.98
FC1=CC=CC(C2=NN=C3C=CC(SCCC4=N[N-]N=N4)=NN32)=C1	REAL300020219420	0	34	-1.0	-49.57	321.45	7.36	-42.21
FC1=CC=CC(C2=NN=C3C=CC(SCCC4=NN=N[N-]4)=NN32)=C1	REAL300020219420	1	34	-1.0	-49.58	321.51	7.38	-42.20
O=[N+]([O-])C1=C(SCCC2=NN=N[N-]2)C=CC2=CN=CC=C21	REAL300020219421	0	30	-1.0	-40.32	286.44	6.13	-34.19
O=[N+]([O-])C1=C(SCCC2=N[N-]N=N2)C=CC2=CN=CC=C21	REAL300020219421	1	30	-1.0	-40.31	286.38	6.12	-34.19
O=[N+]([O-])C1=C(SCCC2=NN=N[N-]2)C=CC2=CN=CC=C21	REAL300020219422	0	30	-1.0	-40.32	286.44	6.13	-34.19
O=[N+]([O-])C1=C(SCCC2=N[N-]N=N2)C=CC2=CN=CC=C21	REAL300020219422	1	30	-1.0	-40.31	286.38	6.12	-34.19
CC(C)(C)OC(=O)N1CC(C2=CC(SCCC3=N[N-]N=N3)=NC=N2)C1	REAL300020219423	0	45	-1.0	-42.79	382.56	5.82	-36.97
CC(C)(C)OC(=O)N1CC(C2=CC(SCCC3=NN=N[N-]3)=NC=N2)C1	REAL300020219423	1	45	-1.0	-42.76	382.61	5.83	-36.93
BrC1=C2N=C(SCCC3=NN=N[N-]3)SC2=CC=C1	REAL300020219424	0	25	-1.0	-39.19	271.58	4.85	-34.34
BrC1=C2N=C(SCCC3=N[N-]N=N3)SC2=CC=C1	REAL300020219424	1	25	-1.0	-39.13	271.52	4.84	-34.29
FC(F)(F)C1=NC=NC(SCCC2=NN=N[N-]2)=C1Br	REAL300020219425	0	24	-1.0	-35.30	263.67	4.47	-30.83
FC(F)(F)C1=NC=NC(SCCC2=N[N-]N=N2)=C1Br	REAL300020219425	1	24	-1.0	-35.28	263.61	4.45	-30.83
BrC1=CN=CC(C2=NC=CC(SCCC3=NN=N[N-]3)=N2)=C1	REAL300020219426	0	30	-1.0	-42.36	305.09	5.09	-37.27
BrC1=CN=CC(C2=NC=CC(SCCC3=N[N-]N=N3)=N2)=C1	REAL300020219426	1	30	-1.0	-42.34	305.03	5.08	-37.26
C1=CC2=C(SCCC3=NN=N[N-]3)N=C(C3=CC=CC=N3)N=C2S1	REAL300020219427	0	33	-1.0	-49.82	321.16	5.67	-44.15
C1=CC2=C(SCCC3=N[N-]N=N3)N=C(C3=CC=CC=N3)N=C2S1	REAL300020219427	1	33	-1.0	-49.79	321.10	5.66	-44.13
O=C(C1=CC=CC=C1)C1=CC([N+](=O)[O-])=CC=C1SCCC1=N[N-]N=N1	REAL300020219428	0	37	-1.0	-37.56	345.23	8.76	-28.80
O=C(C1=CC=CC=C1)C1=CC([N+](=O)[O-])=CC=C1SCCC1=NN=N[N-]1	REAL300020219428	1	37	-1.0	-37.56	345.29	8.78	-28.78
FC(F)(F)C1=C(SCCC2=NN=N[N-]2)OC(C2=CC=CC=C2)=N1	REAL300020219429	0	32	-1.0	-37.41	317.72	4.54	-32.87
FC(F)(F)C1=C(SCCC2=N[N-]N=N2)OC(C2=CC=CC=C2)=N1	REAL300020219429	1	32	-1.0	-37.35	317.66	4.53	-32.82
O=[N+]([O-])C1=CC=C(SCCC2=N[N-]N=N2)C(CS(=O)(=O)F)=C1	REAL300020219430	0	31	-1.0	-42.75	310.80	3.24	-39.51
O=[N+]([O-])C1=CC=C(SCCC2=NN=N[N-]2)C(CS(=O)(=O)F)=C1	REAL300020219430	1	31	-1.0	-42.79	310.85	3.25	-39.54
CCOC(=O)C1=NC=C(Br)C(SCCC2=NN=N[N-]2)=N1	REAL300020219431	0	30	-1.0	-44.44	307.24	4.53	-39.91
CCOC(=O)C1=NC=C(Br)C(SCCC2=N[N-]N=N2)=N1	REAL300020219431	1	30	-1.0	-44.43	307.19	4.52	-39.91
C1=CC=C(SCC2=NC=CC(SCCC3=N[N-]N=N3)=N2)C=C1	REAL300020219432	0	35	-1.0	-43.48	331.23	7.03	-36.45
C1=CC=C(SCC2=NC=CC(SCCC3=NN=N[N-]3)=N2)C=C1	REAL300020219432	1	35	-1.0	-43.48	331.29	7.05	-36.43
CC(C)(C)OC(=O)N1CC(C2=CC=NC(SCCC3=N[N-]N=N3)=N2)C1	REAL300020219433	0	45	-1.0	-44.84	382.38	5.04	-39.80
CC(C)(C)OC(=O)N1CC(C2=CC=NC(SCCC3=NN=N[N-]3)=N2)C1	REAL300020219433	1	45	-1.0	-44.82	382.44	5.06	-39.76
C1=CSC(C2=CSC3=NC=NC(SCCC4=NN=N[N-]4)=C23)=C1	REAL300020219434	0	31	-1.0	-43.10	306.41	7.08	-36.02
C1=CSC(C2=CSC3=NC=NC(SCCC4=N[N-]N=N4)=C23)=C1	REAL300020219434	1	31	-1.0	-43.09	306.35	7.07	-36.02
CC1=CC(SCCC2=NN=N[N-]2)=NC(C2=CC=C(Br)C=C2)=N1	REAL300020219435	0	34	-1.0	-41.23	331.74	7.53	-33.70
CC1=CC(SCCC2=N[N-]N=N2)=NC(C2=CC=C(Br)C=C2)=N1	REAL300020219435	1	34	-1.0	-41.21	331.68	7.52	-33.69
FC(F)(F)C1=CC=C(SCCC2=NN=N[N-]2)N=C1C(F)(F)F	REAL300020219436	0	28	-1.0	-42.26	282.53	4.95	-37.31
FC(F)(F)C1=CC=C(SCCC2=N[N-]N=N2)N=C1C(F)(F)F	REAL300020219436	1	28	-1.0	-42.26	282.47	4.94	-37.32
CC(C)(C)N1N=C(Br)C2=C(SCCC3=NN=N[N-]3)N=CN=C21	REAL300020219437	0	36	-1.0	-39.39	334.99	6.27	-33.12
CC(C)(C)N1N=C(Br)C2=C(SCCC3=N[N-]N=N3)N=CN=C21	REAL300020219437	1	36	-1.0	-39.36	334.94	6.26	-33.10
CC1=CC=CC(C2=NSC(SCCC3=NN=N[N-]3)=N2)=C1	REAL300020219438	0	31	-1.0	-38.09	300.07	5.90	-32.19
CC1=CC=CC(C2=NSC(SCCC3=N[N-]N=N3)=N2)=C1	REAL300020219438	1	31	-1.0	-38.12	300.01	5.89	-32.23
ClC1=CC=C2N=C(SCCC3=NN=N[N-]3)C3=CN=CN3C2=C1	REAL300020219439	0	31	-1.0	-41.19	303.39	7.04	-34.15
ClC1=CC=C2N=C(SCCC3=N[N-]N=N3)C3=CN=CN3C2=C1	REAL300020219439	1	31	-1.0	-41.20	303.34	7.02	-34.18
FC(F)(F)C1=CC(Br)=CN=C1SCCC1=NN=N[N-]1	REAL300020219440	0	25	-1.0	-36.50	271.17	4.66	-31.84
FC(F)(F)C1=CC(Br)=CN=C1SCCC1=N[N-]N=N1	REAL300020219440	1	25	-1.0	-36.51	271.12	4.65	-31.86
FC1=CC=CC=C1N1N=CC2=C(SCCC3=NN=N[N-]3)N=CN=C21	REAL300020219441	0	34	-1.0	-43.50	316.99	7.84	-35.66
FC1=CC=CC=C1N1N=CC2=C(SCCC3=N[N-]N=N3)N=CN=C21	REAL300020219441	1	34	-1.0	-43.53	316.94	7.83	-35.70
CN1N=C(C(F)(F)F)C([N+](=O)[O-])=C1SCCC1=NN=N[N-]1	REAL300020219442	0	28	-1.0	-36.01	290.60	4.13	-31.88
CN1N=C(C(F)(F)F)C([N+](=O)[O-])=C1SCCC1=N[N-]N=N1	REAL300020219442	1	28	-1.0	-36.00	290.54	4.11	-31.89
CCN1C=NC2=C(SCCC3=NN=N[N-]3)N=C(Cl)N=C21	REAL300020219443	0	30	-1.0	-46.60	296.59	6.02	-40.58
CCN1C=NC2=C(SCCC3=N[N-]N=N3)N=C(Cl)N=C21	REAL300020219443	1	30	-1.0	-46.57	296.53	6.01	-40.56
COC(=O)C1=CN=C(SCCC2=NN=N[N-]2)C(C(F)(F)F)=C1	REAL300020219444	0	31	-1.0	-37.70	303.95	4.74	-32.96
COC(=O)C1=CN=C(SCCC2=N[N-]N=N2)C(C(F)(F)F)=C1	REAL300020219444	1	31	-1.0	-37.76	303.89	4.72	-33.04
O=[N+]([O-])C1=CC=C(SCCC2=N[N-]N=N2)C(C(F)F)=C1	REAL300020219445	0	28	-1.0	-37.78	274.81	6.22	-31.56
O=[N+]([O-])C1=CC=C(SCCC2=NN=N[N-]2)C(C(F)F)=C1	REAL300020219445	1	28	-1.0	-37.77	274.87	6.23	-31.54
N#CC1=CC(C(F)(F)F)=CC(SCCC2=NN=N[N-]2)=N1	REAL300020219446	0	26	-1.0	-40.18	275.19	4.49	-35.69
N#CC1=CC(C(F)(F)F)=CC(SCCC2=N[N-]N=N2)=N1	REAL300020219446	1	26	-1.0	-40.15	275.14	4.48	-35.67
O=[N+]([O-])C1=CC=C(Cl)C(Cl)=C1SCCC1=N[N-]N=N1	REAL300020219447	0	25	-1.0	-41.05	274.88	6.33	-34.72
O=[N+]([O-])C1=CC=C(Cl)C(Cl)=C1SCCC1=NN=N[N-]1	REAL300020219447	1	25	-1.0	-41.03	274.94	6.35	-34.68
CO[C@H]1C[C@@H](C[NH+](C)C)N(C2=CC(SCCC3=NN=N[N-]3)=NC=N2)C1	REAL300020219448	0	49	0.0	-59.20	387.86	4.89	-54.31
CO[C@H]1C[C@@H](C[NH+](C)C)N(C2=CC(SCCC3=N[N-]N=N3)=NC=N2)C1	REAL300020219448	1	49	0.0	-59.17	387.80	4.87	-54.30
N#CC1=CC=CC(Br)=C1SCCC1=N[N-]N=N1	REAL300020219449	0	24	-1.0	-42.90	259.72	5.73	-37.17
N#CC1=CC=CC(Br)=C1SCCC1=NN=N[N-]1	REAL300020219449	1	24	-1.0	-42.92	259.78	5.74	-37.18
N#CC1=CC=CC(OC2=CC=NC(SCCC3=NN=N[N-]3)=N2)=C1	REAL300020219450	0	33	-1.0	-42.04	321.86	4.82	-37.22
N#CC1=CC=CC(OC2=CC=NC(SCCC3=N[N-]N=N3)=N2)=C1	REAL300020219450	1	33	-1.0	-42.02	321.80	4.80	-37.22
IC1=CN=C(SCCC2=NN=N[N-]2)N=C1	REAL300020219451	0	21	-1.0	-37.28	237.04	3.42	-33.86
IC1=CN=C(SCCC2=N[N-]N=N2)N=C1	REAL300020219451	1	21	-1.0	-37.28	236.98	3.41	-33.87
CCOC(=O)C1=CN=C(C(F)(F)F)N=C1SCCC1=NN=N[N-]1	REAL300020219452	0	33	-1.0	-41.16	322.70	4.86	-36.30
CCOC(=O)C1=CN=C(C(F)(F)F)N=C1SCCC1=N[N-]N=N1	REAL300020219452	1	33	-1.0	-41.10	322.65	4.85	-36.25
CCOC(=O)C1=CN=C(CC)N=C1SCCC1=N[N-]N=N1	REAL300020219453	0	36	-1.0	-40.98	325.21	5.05	-35.93
CCOC(=O)C1=CN=C(CC)N=C1SCCC1=NN=N[N-]1	REAL300020219453	1	36	-1.0	-40.99	325.27	5.06	-35.93
ClC1=CC=CC(C2=CC(SCCC3=NN=N[N-]3)=NC=N2)=C1	REAL300020219454	0	31	-1.0	-39.37	303.17	7.18	-32.19
ClC1=CC=CC(C2=CC(SCCC3=N[N-]N=N3)=NC=N2)=C1	REAL300020219454	1	31	-1.0	-39.36	303.11	7.17	-32.19
CCC1=CC2=C(SCCC3=N[N-]N=N3)N=C(C)N=C2S1	REAL300020219455	0	33	-1.0	-40.53	310.94	5.80	-34.73
CCC1=CC2=C(SCCC3=NN=N[N-]3)N=C(C)N=C2S1	REAL300020219455	1	33	-1.0	-40.52	311.00	5.81	-34.71
O=C(NC1CC1)C1=CC([N+](=O)[O-])=CC=C1SCCC1=N[N-]N=N1	REAL300020219456	0	36	-1.0	-39.64	328.51	5.41	-34.23
O=C(NC1CC1)C1=CC([N+](=O)[O-])=CC=C1SCCC1=NN=N[N-]1	REAL300020219456	1	36	-1.0	-39.59	328.57	5.43	-34.16
N#CC1=CN=C(SCCC2=NN=N[N-]2)C(Br)=C1	REAL300020219457	0	23	-1.0	-37.73	254.32	4.19	-33.54
N#CC1=CN=C(SCCC2=N[N-]N=N2)C(Br)=C1	REAL300020219457	1	23	-1.0	-37.68	254.26	4.17	-33.51
BrC1=CC=C2OC(SCCC3=NN=N[N-]3)=NC2=C1	REAL300020219458	0	25	-1.0	-37.62	263.60	2.36	-35.26
BrC1=CC=C2OC(SCCC3=N[N-]N=N3)=NC2=C1	REAL300020219458	1	25	-1.0	-37.58	263.54	2.35	-35.23
ClC1=CC(SCCC2=N[N-]N=N2)=NC(C2CCCO2)=N1	REAL300020219459	0	32	-1.0	-38.90	304.78	3.52	-35.38
ClC1=CC(SCCC2=NN=N[N-]2)=NC(C2CCCO2)=N1	REAL300020219459	1	32	-1.0	-38.88	304.83	3.53	-35.35
CCOC(=O)C1=CC(Cl)=NN=C1SCCC1=NN=N[N-]1	REAL300020219460	0	30	-1.0	-42.19	298.95	3.95	-38.24
CCOC(=O)C1=CC(Cl)=NN=C1SCCC1=N[N-]N=N1	REAL300020219460	1	30	-1.0	-42.18	298.89	3.94	-38.24
O=[N+]([O-])C1=C(SCCC2=N[N-]N=N2)C=CC=C1C(F)(F)F	REAL300020219461	0	28	-1.0	-39.20	281.61	6.57	-32.63
O=[N+]([O-])C1=C(SCCC2=NN=N[N-]2)C=CC=C1C(F)(F)F	REAL300020219461	1	28	-1.0	-39.20	281.67	6.58	-32.62
ClC1=CC=CC(C2=NC=CC(SCCC3=NN=N[N-]3)=N2)=C1	REAL300020219462	0	31	-1.0	-45.33	305.51	6.82	-38.51
ClC1=CC=CC(C2=NC=CC(SCCC3=N[N-]N=N3)=N2)=C1	REAL300020219462	1	31	-1.0	-45.32	305.45	6.80	-38.52
COC1=CC2=C(SCCC3=NN=N[N-]3)C([N+](=O)[O-])=CN=C2C=C1	REAL300020219463	0	34	-1.0	-42.98	312.97	5.01	-37.97
COC1=CC2=C(SCCC3=N[N-]N=N3)C([N+](=O)[O-])=CN=C2C=C1	REAL300020219463	1	34	-1.0	-42.95	312.92	5.00	-37.95
BrC1=CC=C(C2=CN=CN=C2SCCC2=NN=N[N-]2)C=C1	REAL300020219464	0	31	-1.0	-39.37	306.96	7.12	-32.25
BrC1=CC=C(C2=CN=CN=C2SCCC2=N[N-]N=N2)C=C1	REAL300020219464	1	31	-1.0	-39.39	306.90	7.10	-32.29
O=[N+]([O-])C1=CN=C(SCCC2=NN=N[N-]2)C2=CC=CC=C21	REAL300020219465	0	30	-1.0	-41.28	281.17	5.88	-35.40
O=[N+]([O-])C1=CN=C(SCCC2=N[N-]N=N2)C2=CC=CC=C21	REAL300020219465	1	30	-1.0	-41.31	281.11	5.87	-35.44
O=[N+]([O-])C1=C(SCCC2=NN=N[N-]2)C2=CC=CC(Cl)=C2N=C1	REAL300020219466	0	30	-1.0	-40.50	299.66	6.32	-34.18
O=[N+]([O-])C1=C(SCCC2=N[N-]N=N2)C2=CC=CC(Cl)=C2N=C1	REAL300020219466	1	30	-1.0	-40.49	299.60	6.30	-34.19
O=[N+]([O-])C1=C(SCCC2=NN=N[N-]2)C2=CC=C(Br)C=C2N=C1	REAL300020219467	0	30	-1.0	-37.87	304.85	6.33	-31.54
O=[N+]([O-])C1=C(SCCC2=N[N-]N=N2)C2=CC=C(Br)C=C2N=C1	REAL300020219467	1	30	-1.0	-37.92	304.80	6.31	-31.61
O=[N+]([O-])C1=C(SCCC2=NN=N[N-]2)C2=CC(Cl)=CC=C2N=C1	REAL300020219468	0	30	-1.0	-39.47	300.31	6.21	-33.26
O=[N+]([O-])C1=C(SCCC2=N[N-]N=N2)C2=CC(Cl)=CC=C2N=C1	REAL300020219468	1	30	-1.0	-39.44	300.25	6.20	-33.24
O=[N+]([O-])C1=C(SCCC2=NN=N[N-]2)C2=CC(F)=CC=C2N=C1	REAL300020219469	0	30	-1.0	-40.16	290.01	5.78	-34.38
O=[N+]([O-])C1=C(SCCC2=N[N-]N=N2)C2=CC(F)=CC=C2N=C1	REAL300020219469	1	30	-1.0	-40.16	289.95	5.77	-34.39
O=[N+]([O-])C1=CC2=C(SCCC3=NN=N[N-]3)C([N+](=O)[O-])=CN=C2C=C1	REAL300020219470	0	32	-1.0	-41.23	311.66	6.38	-34.85
O=[N+]([O-])C1=CC2=C(SCCC3=N[N-]N=N3)C([N+](=O)[O-])=CN=C2C=C1	REAL300020219470	1	32	-1.0	-41.23	311.60	6.37	-34.86
FC1=CC(Cl)=CC2=NC=NC(SCCC3=NN=N[N-]3)=C12	REAL300020219471	0	27	-1.0	-38.30	273.81	5.58	-32.72
FC1=CC(Cl)=CC2=NC=NC(SCCC3=N[N-]N=N3)=C12	REAL300020219471	1	27	-1.0	-38.29	273.76	5.56	-32.73
NC1=NC(SCCC2=NN=N[N-]2)=NC(C(F)(F)C(F)(F)F)=N1	REAL300020219472	0	28	-1.0	-36.06	291.03	4.69	-31.37
NC1=NC(SCCC2=N[N-]N=N2)=NC(C(F)(F)C(F)(F)F)=N1	REAL300020219472	1	28	-1.0	-36.08	290.97	4.67	-31.41
CCOCC1=NC(Cl)=CC(SCCC2=N[N-]N=N2)=N1	REAL300020219473	0	31	-1.0	-39.06	303.47	3.33	-35.73
CCOCC1=NC(Cl)=CC(SCCC2=NN=N[N-]2)=N1	REAL300020219473	1	31	-1.0	-39.11	303.53	3.35	-35.76
C1=NC(OC2CCOCC2)=CC(SCCC2=NN=N[N-]2)=N1	REAL300020219474	0	36	-1.0	-38.47	316.12	2.86	-35.61
C1=NC(OC2CCOCC2)=CC(SCCC2=N[N-]N=N2)=N1	REAL300020219474	1	36	-1.0	-38.49	316.07	2.85	-35.64
N#CC1=CC(F)=C(C(F)(F)F)C=C1SCCC1=N[N-]N=N1	REAL300020219475	0	27	-1.0	-35.91	280.41	6.11	-29.80
N#CC1=CC(F)=C(C(F)(F)F)C=C1SCCC1=NN=N[N-]1	REAL300020219475	1	27	-1.0	-35.94	280.47	6.12	-29.82
C1=CC=C(CN2N=NC3=C(SCCC4=NN=N[N-]4)N=CN=C32)C=C1	REAL300020219476	0	36	-1.0	-39.87	335.08	6.36	-33.51
C1=CC=C(CN2N=NC3=C(SCCC4=N[N-]N=N4)N=CN=C32)C=C1	REAL300020219476	1	36	-1.0	-39.86	335.02	6.35	-33.51
CCOC(=O)C1=CC([N+](=O)[O-])=C(SCCC2=N[N-]N=N2)C=C1C	REAL300020219477	0	37	-1.0	-36.59	332.77	7.38	-29.21
CCOC(=O)C1=CC([N+](=O)[O-])=C(SCCC2=NN=N[N-]2)C=C1C	REAL300020219477	1	37	-1.0	-36.61	332.83	7.40	-29.21
CCOC(=O)C1=C(C(F)(F)F)N=C(SCCC2=NN=N[N-]2)O1	REAL300020219478	0	31	-1.0	-35.63	307.60	2.08	-33.55
CCOC(=O)C1=C(C(F)(F)F)N=C(SCCC2=N[N-]N=N2)O1	REAL300020219478	1	31	-1.0	-35.67	307.54	2.07	-33.60
BrC1=CC=C(C2=NC=CC(SCCC3=NN=N[N-]3)=N2)C=C1	REAL300020219479	0	31	-1.0	-41.36	310.06	6.92	-34.44
BrC1=CC=C(C2=NC=CC(SCCC3=N[N-]N=N3)=N2)C=C1	REAL300020219479	1	31	-1.0	-41.36	310.01	6.91	-34.45
N#CC1=CC=C(SCCC2=N[N-]N=N2)C=C1Br	REAL300020219480	0	24	-1.0	-34.45	257.29	5.65	-28.80
N#CC1=CC=C(SCCC2=NN=N[N-]2)C=C1Br	REAL300020219480	1	24	-1.0	-34.49	257.35	5.66	-28.83
N#CC1=CC=C(C(F)(F)F)N=C1SCCC1=NN=N[N-]1	REAL300020219481	0	26	-1.0	-43.16	274.29	4.63	-38.53
N#CC1=CC=C(C(F)(F)F)N=C1SCCC1=N[N-]N=N1	REAL300020219481	1	26	-1.0	-43.16	274.23	4.61	-38.55
N#CC1=CC(Br)=CN=C1SCCC1=NN=N[N-]1	REAL300020219482	0	23	-1.0	-37.41	255.13	4.13	-33.28
N#CC1=CC(Br)=CN=C1SCCC1=N[N-]N=N1	REAL300020219482	1	23	-1.0	-37.38	255.07	4.12	-33.26
ClC1=CN=C(SCCC2=NN=N[N-]2)C(I)=C1	REAL300020219483	0	22	-1.0	-36.65	256.95	4.68	-31.97
ClC1=CN=C(SCCC2=N[N-]N=N2)C(I)=C1	REAL300020219483	1	22	-1.0	-36.64	256.90	4.67	-31.97
CC1=CC=NC(SCCC2=N[N-]N=N2)=C1Br	REAL300020219484	0	25	-1.0	-40.64	252.61	4.31	-36.33
CC1=CC=NC(SCCC2=NN=N[N-]2)=C1Br	REAL300020219484	1	25	-1.0	-40.61	252.67	4.32	-36.29
NC1=NC(Cl)=C(Br)C(SCCC2=NN=N[N-]2)=N1	REAL300020219485	0	23	-1.0	-36.02	259.18	3.32	-32.70
NC1=NC(Cl)=C(Br)C(SCCC2=N[N-]N=N2)=N1	REAL300020219485	1	23	-1.0	-36.03	259.13	3.30	-32.73
C=CCN1N=CC2=C1N=C(SCCC1=N[N-]N=N1)NC2=O	REAL300020219486	0	32	-1.0	-39.94	302.88	3.36	-36.58
C=CCN1N=CC2=C1N=C(SCCC1=NN=N[N-]1)NC2=O	REAL300020219486	1	32	-1.0	-39.94	302.94	3.37	-36.57
CC1=CC(OC2=CC=CC=C2)=NC(SCCC2=N[N-]N=N2)=N1	REAL300020219487	0	35	-1.0	-39.36	322.67	5.17	-34.19
CC1=CC(OC2=CC=CC=C2)=NC(SCCC2=NN=N[N-]2)=N1	REAL300020219487	1	35	-1.0	-39.34	322.73	5.18	-34.16
O=[N+]([O-])C1=CC(Cl)=C(SCCC2=N[N-]N=N2)C(Cl)=C1	REAL300020219488	0	25	-1.0	-34.59	279.30	6.47	-28.12
O=[N+]([O-])C1=CC(Cl)=C(SCCC2=NN=N[N-]2)C(Cl)=C1	REAL300020219488	1	25	-1.0	-34.60	279.36	6.49	-28.11
BrC1=CC=CC=C1OC1=CC(SCCC2=NN=N[N-]2)=NC=N1	REAL300020219489	0	32	-1.0	-40.58	321.32	5.64	-34.94
BrC1=CC=CC=C1OC1=CC(SCCC2=N[N-]N=N2)=NC=N1	REAL300020219489	1	32	-1.0	-40.57	321.26	5.63	-34.94
C1=CC=C(CC2=NSC(SCCC3=N[N-]N=N3)=N2)C=C1	REAL300020219490	0	31	-1.0	-36.65	301.91	5.64	-31.01
C1=CC=C(CC2=NSC(SCCC3=NN=N[N-]3)=N2)C=C1	REAL300020219490	1	31	-1.0	-36.66	301.96	5.65	-31.01
C1=NC(SCCC2=NN=N[N-]2)=C2N=NN(CC3CC3)C2=N1	REAL300020219491	0	33	-1.0	-39.27	306.85	4.91	-34.36
C1=NC(SCCC2=N[N-]N=N2)=C2N=NN(CC3CC3)C2=N1	REAL300020219491	1	33	-1.0	-39.29	306.79	4.89	-34.40
COC(=O)C1=CC=NC(SCCC2=NN=N[N-]2)=C1[N+](=O)[O-]	REAL300020219492	0	30	-1.0	-45.99	296.80	5.12	-40.87
COC(=O)C1=CC=NC(SCCC2=N[N-]N=N2)=C1[N+](=O)[O-]	REAL300020219492	1	30	-1.0	-45.98	296.74	5.11	-40.87
CC1=NN2C(=C1Br)N=C(C)C=C2SCCC1=N[N-]N=N1	REAL300020219493	0	31	-1.0	-37.88	302.50	5.33	-32.55
CC1=NN2C(=C1Br)N=C(C)C=C2SCCC1=NN=N[N-]1	REAL300020219493	1	31	-1.0	-37.88	302.56	5.34	-32.54
ClC1=CC2=C(C3=CC=CC=C3)N=C(SCCC3=NN=N[N-]3)N=C2C=C1	REAL300020219494	0	37	-1.0	-42.55	347.19	8.33	-34.22
ClC1=CC2=C(C3=CC=CC=C3)N=C(SCCC3=N[N-]N=N3)N=C2C=C1	REAL300020219494	1	37	-1.0	-42.55	347.13	8.31	-34.24
CC1=NC=NC(SCCC2=N[N-]N=N2)=C1Br	REAL300020219495	0	24	-1.0	-37.91	247.35	4.10	-33.81
CC1=NC=NC(SCCC2=NN=N[N-]2)=C1Br	REAL300020219495	1	24	-1.0	-37.93	247.41	4.11	-33.82
CSC1=NC2=C(Br)C=NN2C(SCCC2=NN=N[N-]2)=N1	REAL300020219496	0	28	-1.0	-39.35	301.41	5.81	-33.54
CSC1=NC2=C(Br)C=NN2C(SCCC2=N[N-]N=N2)=N1	REAL300020219496	1	28	-1.0	-39.37	301.36	5.79	-33.58
N#CC1=C(SCCC2=NN=N[N-]2)C2=CC(Br)=CC=C2N=C1Cl	REAL300020219497	0	29	-1.0	-37.46	316.08	6.41	-31.05
N#CC1=C(SCCC2=N[N-]N=N2)C2=CC(Br)=CC=C2N=C1Cl	REAL300020219497	1	29	-1.0	-37.44	316.03	6.39	-31.05
O=[N+]([O-])C1=CC=C(C(F)(F)F)C=C1SCCC1=N[N-]N=N1	REAL300020219498	0	28	-1.0	-38.49	279.45	6.29	-32.20
O=[N+]([O-])C1=CC=C(C(F)(F)F)C=C1SCCC1=NN=N[N-]1	REAL300020219498	1	28	-1.0	-38.45	279.51	6.30	-32.15
COC(=O)C1=CC(SCCC2=NN=N[N-]2)=NC(C(F)(F)F)=C1	REAL300020219499	0	31	-1.0	-40.99	309.78	4.87	-36.12
COC(=O)C1=CC(SCCC2=N[N-]N=N2)=NC(C(F)(F)F)=C1	REAL300020219499	1	31	-1.0	-40.95	309.73	4.85	-36.10
CC1=NN(C2=CC(SCCC3=NN=N[N-]3)=NC=N2)C(C)=C1Br	REAL300020219500	0	34	-1.0	-39.09	330.74	7.23	-31.86
CC1=NN(C2=CC(SCCC3=N[N-]N=N3)=NC=N2)C(C)=C1Br	REAL300020219500	1	34	-1.0	-39.04	330.68	7.22	-31.82
CC1CCC(OC2=NC=CC(SCCC3=NN=N[N-]3)=N2)CC1	REAL300020219501	0	41	-1.0	-46.00	343.82	4.26	-41.74
CC1CCC(OC2=NC=CC(SCCC3=N[N-]N=N3)=N2)CC1	REAL300020219501	1	41	-1.0	-45.99	343.76	4.25	-41.74
O=[N+]([O-])C1=CC(C(F)(F)F)=C(Cl)C=C1SCCC1=N[N-]N=N1	REAL300020219502	0	28	-1.0	-34.06	292.24	6.70	-27.36
O=[N+]([O-])C1=CC(C(F)(F)F)=C(Cl)C=C1SCCC1=NN=N[N-]1	REAL300020219502	1	28	-1.0	-34.08	292.30	6.71	-27.37
NC1=NC(NC2=CC=CC=C2)=NC(SCCC2=NN=N[N-]2)=N1	REAL300020219503	0	34	-1.0	-40.36	311.76	7.61	-32.75
NC1=NC(NC2=CC=CC=C2)=NC(SCCC2=N[N-]N=N2)=N1	REAL300020219503	1	34	-1.0	-40.40	311.70	7.59	-32.81
CC1=NC(SCCC2=N[N-]N=N2)=NC=C1Br	REAL300020219504	0	24	-1.0	-38.04	249.16	3.46	-34.58
CC1=NC(SCCC2=NN=N[N-]2)=NC=C1Br	REAL300020219504	1	24	-1.0	-38.05	249.21	3.47	-34.58
COC1=CC=C(C2=CC(SCCC3=NN=N[N-]3)=NC=N2)C=C1	REAL300020219505	0	35	-1.0	-41.23	315.87	5.98	-35.25
COC1=CC=C(C2=CC(SCCC3=N[N-]N=N3)=NC=N2)C=C1	REAL300020219505	1	35	-1.0	-41.26	315.82	5.96	-35.30
CS(=O)(=O)C1=NC(SCCC2=NN=N[N-]2)=CC(C(F)(F)F)=N1	REAL300020219506	0	30	-1.0	-46.68	312.09	0.69	-45.99
CS(=O)(=O)C1=NC(SCCC2=N[N-]N=N2)=CC(C(F)(F)F)=N1	REAL300020219506	1	30	-1.0	-46.67	312.03	0.67	-46.00
COC(=O)C1=CC=C2N=C(SCCC3=NN=N[N-]3)OC2=C1	REAL300020219507	0	31	-1.0	-40.58	296.80	2.61	-37.97
COC(=O)C1=CC=C2N=C(SCCC3=N[N-]N=N3)OC2=C1	REAL300020219507	1	31	-1.0	-40.56	296.74	2.60	-37.96
CN1N=C(SCCC2=NN=N[N-]2)C([N+](=O)[O-])=C1C(F)(F)F	REAL300020219508	0	28	-1.0	-37.97	288.09	4.12	-33.85
CN1N=C(SCCC2=N[N-]N=N2)C([N+](=O)[O-])=C1C(F)(F)F	REAL300020219508	1	28	-1.0	-37.96	288.03	4.10	-33.86
FC(F)(F)C1=NC2=C(SCCC3=NN=N[N-]3)N=CN=C2S1	REAL300020219509	0	26	-1.0	-37.28	281.91	3.50	-33.78
FC(F)(F)C1=NC2=C(SCCC3=N[N-]N=N3)N=CN=C2S1	REAL300020219509	1	26	-1.0	-37.30	281.86	3.49	-33.81
CC1=NC(SCCC2=N[N-]N=N2)=NC=C1Br	REAL300020219510	0	24	-1.0	-38.04	249.16	3.46	-34.58
CC1=NC(SCCC2=NN=N[N-]2)=NC=C1Br	REAL300020219510	1	24	-1.0	-38.05	249.21	3.47	-34.58
COC(=O)C1=CC2=NC(SCCC3=NN=N[N-]3)=CN=C2C=C1	REAL300020219511	0	33	-1.0	-46.19	310.45	4.10	-42.09
COC(=O)C1=CC2=NC(SCCC3=N[N-]N=N3)=CN=C2C=C1	REAL300020219511	1	33	-1.0	-46.19	310.39	4.09	-42.10
COC(=O)C1=CN=C(SCCC2=NN=N[N-]2)C([N+](=O)[O-])=C1	REAL300020219512	0	30	-1.0	-38.79	292.84	4.39	-34.40
COC(=O)C1=CN=C(SCCC2=N[N-]N=N2)C([N+](=O)[O-])=C1	REAL300020219512	1	30	-1.0	-38.78	292.78	4.38	-34.40
FC(F)(F)SC1=NN=C(SCCC2=NN=N[N-]2)S1	REAL300020219513	0	22	-1.0	-40.16	264.15	2.68	-37.48
FC(F)(F)SC1=NN=C(SCCC2=N[N-]N=N2)S1	REAL300020219513	1	22	-1.0	-40.13	264.09	2.66	-37.47
CC1(C)CCC2=CC(C#N)=C(SCCC3=NN=N[N-]3)N=C21	REAL300020219514	0	36	-1.0	-42.81	320.16	6.43	-36.38
CC1(C)CCC2=CC(C#N)=C(SCCC3=N[N-]N=N3)N=C21	REAL300020219514	1	36	-1.0	-42.81	320.11	6.41	-36.40
CC1=NC(SCCC2=N[N-]N=N2)=C2C=NN(C3=CC=CC(F)=C3)C2=N1	REAL300020219515	0	37	-1.0	-42.64	343.97	7.41	-35.23
CC1=NC(SCCC2=NN=N[N-]2)=C2C=NN(C3=CC=CC(F)=C3)C2=N1	REAL300020219515	1	37	-1.0	-42.67	344.03	7.42	-35.25
CC1=NC(SCCC2=N[N-]N=N2)=C(Br)C=C1[N+](=O)[O-]	REAL300020219516	0	27	-1.0	-35.76	281.32	4.96	-30.80
CC1=NC(SCCC2=NN=N[N-]2)=C(Br)C=C1[N+](=O)[O-]	REAL300020219516	1	27	-1.0	-35.76	281.38	4.98	-30.78
O=[N+]([O-])C1=CC2=NC=C(SCCC3=NN=N[N-]3)N=C2C=C1	REAL300020219517	0	29	-1.0	-38.45	283.71	4.11	-34.34
O=[N+]([O-])C1=CC2=NC=C(SCCC3=N[N-]N=N3)N=C2C=C1	REAL300020219517	1	29	-1.0	-38.46	283.65	4.10	-34.36
CC1=CC(SCCC2=N[N-]N=N2)=NC(S(C)(=O)=O)=N1	REAL300020219518	0	30	-1.0	-50.91	293.76	0.27	-50.64
CC1=CC(SCCC2=NN=N[N-]2)=NC(S(C)(=O)=O)=N1	REAL300020219518	1	30	-1.0	-50.87	293.82	0.29	-50.58
COC1=CC(SCCC2=NN=N[N-]2)=NC(C(F)(F)F)=N1	REAL300020219519	0	28	-1.0	-39.17	282.35	1.86	-37.31
COC1=CC(SCCC2=N[N-]N=N2)=NC(C(F)(F)F)=N1	REAL300020219519	1	28	-1.0	-39.15	282.30	1.85	-37.30
CC1=NC(SCCC2=N[N-]N=N2)=C(Br)C=C1[N+](=O)[O-]	REAL300020219520	0	27	-1.0	-35.76	281.32	4.96	-30.80
CC1=NC(SCCC2=NN=N[N-]2)=C(Br)C=C1[N+](=O)[O-]	REAL300020219520	1	27	-1.0	-35.76	281.38	4.98	-30.78
CC1=NC(SCCC2=N[N-]N=N2)=C(Cl)C=C1[N+](=O)[O-]	REAL300020219521	0	27	-1.0	-35.72	277.13	4.86	-30.86
CC1=NC(SCCC2=NN=N[N-]2)=C(Cl)C=C1[N+](=O)[O-]	REAL300020219521	1	27	-1.0	-35.72	277.19	4.88	-30.84
CS(=O)(=O)C1=CN=C(SCCC2=NN=N[N-]2)C(Cl)=C1	REAL300020219522	0	28	-1.0	-45.69	290.84	1.12	-44.57
CS(=O)(=O)C1=CN=C(SCCC2=N[N-]N=N2)C(Cl)=C1	REAL300020219522	1	28	-1.0	-45.71	290.78	1.10	-44.61
CSC1=NC(SCCC2=NN=N[N-]2)=CC(C(F)(F)F)=N1	REAL300020219523	0	28	-1.0	-35.51	292.90	4.63	-30.88
CSC1=NC(SCCC2=N[N-]N=N2)=CC(C(F)(F)F)=N1	REAL300020219523	1	28	-1.0	-35.49	292.84	4.62	-30.87
O=[N+]([O-])C1=CC=C(OC(F)F)C=C1SCCC1=N[N-]N=N1	REAL300020219524	0	29	-1.0	-39.58	279.62	4.86	-34.72
O=[N+]([O-])C1=CC=C(OC(F)F)C=C1SCCC1=NN=N[N-]1	REAL300020219524	1	29	-1.0	-39.59	279.67	4.87	-34.72
COC(=O)C1=CC(C)=C(SCCC2=N[N-]N=N2)C([N+](=O)[O-])=C1	REAL300020219525	0	34	-1.0	-41.07	317.69	6.60	-34.47
COC(=O)C1=CC(C)=C(SCCC2=NN=N[N-]2)C([N+](=O)[O-])=C1	REAL300020219525	1	34	-1.0	-41.07	317.75	6.62	-34.45
C1=C(N2CCOCC2)C=C2C(=C1)N=CN=C2SCCC1=NN=N[N-]1	REAL300020219526	0	40	-1.0	-42.20	337.43	3.88	-38.32
C1=C(N2CCOCC2)C=C2C(=C1)N=CN=C2SCCC1=N[N-]N=N1	REAL300020219526	1	40	-1.0	-42.19	337.37	3.86	-38.33
CC(C)(C)OC(=O)C1=CC2=C(SCCC3=N[N-]N=N3)N=CNC2=N1	REAL300020219527	0	40	-1.0	-47.15	352.08	6.75	-40.40
CC(C)(C)OC(=O)C1=CC2=C(SCCC3=NN=N[N-]3)N=CNC2=N1	REAL300020219527	1	40	-1.0	-47.15	352.13	6.77	-40.38
COC(=O)CN1N=NC2=C(SCCC3=NN=N[N-]3)N=CN=C21	REAL300020219528	0	32	-1.0	-44.70	309.60	3.56	-41.14
COC(=O)CN1N=NC2=C(SCCC3=N[N-]N=N3)N=CN=C21	REAL300020219528	1	32	-1.0	-44.66	309.55	3.54	-41.12
O=C(NC1=CN(C2=NC=CC=C2F)N=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020232021	0	41	-1.0	-49.05	363.63	5.37	-43.68
O=C(NC1=CN(C2=NC=CC=C2F)N=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020232021	1	41	-1.0	-49.07	363.58	5.34	-43.73
O=C(NC1=CN(C2=NC=CC=C2F)N=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020232022	0	41	-1.0	-50.95	344.48	4.90	-46.05
O=C(NC1=CN(C2=NC=CC=C2F)N=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020232022	1	41	-1.0	-50.97	344.42	4.88	-46.09
O=C(NC1=CN(C2=NC=CC=C2F)N=C1)N1CCCC1C1=NN=N[N-]1	REAL300020232023	0	38	-1.0	-61.79	329.00	4.00	-57.79
O=C(NC1=CN(C2=NC=CC=C2F)N=C1)N1CCCC1C1=N[N-]N=N1	REAL300020232023	1	38	-1.0	-61.78	328.94	3.97	-57.81
CSCC[C@H](NC(=O)NC1=CN(C2=NC=CC=C2F)N=C1)C1=NN=N[N-]1	REAL300020232024	0	41	-1.0	-54.40	372.62	3.94	-50.46
CSCC[C@H](NC(=O)NC1=CN(C2=NC=CC=C2F)N=C1)C1=N[N-]N=N1	REAL300020232024	1	41	-1.0	-54.35	372.56	3.93	-50.42
O=C(NC1=CN(C2=NC=CC=C2F)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020232025	0	38	-1.0	-51.00	330.49	4.02	-46.98
O=C(NC1=CN(C2=NC=CC=C2F)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020232025	1	38	-1.0	-50.98	330.41	4.01	-46.97
O=C(NC1=CN(C2=NC=CC=C2F)N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020232026	0	44	-1.0	-58.89	352.43	5.78	-53.11
O=C(NC1=CN(C2=NC=CC=C2F)N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020232026	1	44	-1.0	-58.86	352.40	5.78	-53.08
O=C(NC1=CC=C(C(F)(F)F)N=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020232027	0	37	-1.0	-41.36	337.89	4.03	-37.33
O=C(NC1=CC=C(C(F)(F)F)N=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020232027	1	37	-1.0	-41.32	337.83	4.00	-37.32
O=C(NC1=CC=C(C(F)(F)F)N=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020232028	0	37	-1.0	-46.28	319.55	3.58	-42.70
O=C(NC1=CC=C(C(F)(F)F)N=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020232028	1	37	-1.0	-46.29	319.49	3.56	-42.73
O=C(NC1=CC=C(C(F)(F)F)N=C1)N1CCCC1C1=NN=N[N-]1	REAL300020232029	0	34	-1.0	-49.63	303.39	2.65	-46.98
O=C(NC1=CC=C(C(F)(F)F)N=C1)N1CCCC1C1=N[N-]N=N1	REAL300020232029	1	34	-1.0	-49.58	303.33	2.63	-46.95
CSCC[C@H](NC(=O)NC1=CC=C(C(F)(F)F)N=C1)C1=NN=N[N-]1	REAL300020232030	0	37	-1.0	-44.41	346.92	2.61	-41.80
CSCC[C@H](NC(=O)NC1=CC=C(C(F)(F)F)N=C1)C1=N[N-]N=N1	REAL300020232030	1	37	-1.0	-44.40	346.87	2.60	-41.80
O=C(NC1=CC=C(C(F)(F)F)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020232031	0	34	-1.0	-42.44	304.56	2.72	-39.72
O=C(NC1=CC=C(C(F)(F)F)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020232031	1	34	-1.0	-42.43	304.49	2.72	-39.71
O=C(NC1=CC=C(C(F)(F)F)N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020232032	0	40	-1.0	-37.41	333.59	3.71	-33.70
O=C(NC1=CC=C(C(F)(F)F)N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020232032	1	40	-1.0	-37.44	333.54	3.69	-33.75
CCC(C)N1N=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1C1CC1	REAL300020232033	0	51	-1.0	-44.45	413.85	6.81	-37.64
CCC(C)N1N=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1C1CC1	REAL300020232033	1	51	-1.0	-44.44	413.79	6.79	-37.65
CCC(C)N1N=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1C1CC1	REAL300020232034	0	51	-1.0	-46.42	394.79	6.32	-40.10
CCC(C)N1N=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1C1CC1	REAL300020232034	1	51	-1.0	-46.44	394.84	6.34	-40.10
CCC(C)N1N=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1C1CC1	REAL300020232035	0	48	-1.0	-59.14	379.86	5.44	-53.70
CCC(C)N1N=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1C1CC1	REAL300020232035	1	48	-1.0	-59.15	379.92	5.46	-53.69
CCC(C)N1N=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1C1CC1	REAL300020232036	0	51	-1.0	-51.11	423.50	5.40	-45.71
CCC(C)N1N=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1C1CC1	REAL300020232036	1	51	-1.0	-51.09	423.55	5.42	-45.67
CCC(C)N1N=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1C1CC1	REAL300020232037	0	48	-1.0	-47.23	381.18	5.48	-41.75
CCC(C)N1N=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1C1CC1	REAL300020232037	1	48	-1.0	-47.26	381.25	5.49	-41.77
CCC(C)N1N=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1C1CC1	REAL300020232038	0	54	-1.0	-55.95	403.35	7.30	-48.65
CCC(C)N1N=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1C1CC1	REAL300020232038	1	54	-1.0	-55.93	403.41	7.33	-48.60
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC(C2=NC=CO2)=C1	REAL300020232039	0	41	-1.0	-47.56	358.99	3.35	-44.21
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC(C2=NC=CO2)=C1	REAL300020232039	1	41	-1.0	-47.56	358.94	3.32	-44.24
O=C(NC1=CC=CC(C2=NC=CO2)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020232040	0	41	-1.0	-50.60	340.39	2.81	-47.79
O=C(NC1=CC=CC(C2=NC=CO2)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020232040	1	41	-1.0	-50.52	340.33	2.79	-47.73
O=C(NC1=CC=CC(C2=NC=CO2)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020232041	0	38	-1.0	-62.51	324.67	1.91	-60.60
O=C(NC1=CC=CC(C2=NC=CO2)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020232041	1	38	-1.0	-62.56	324.61	1.90	-60.66
CSCC[C@H](NC(=O)NC1=CC=CC(C2=NC=CO2)=C1)C1=NN=N[N-]1	REAL300020232042	0	41	-1.0	-54.69	368.20	1.87	-52.82
CSCC[C@H](NC(=O)NC1=CC=CC(C2=NC=CO2)=C1)C1=N[N-]N=N1	REAL300020232042	1	41	-1.0	-54.72	368.14	1.86	-52.86
O=C(NC1=CC=CC(C2=NC=CO2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020232043	0	38	-1.0	-50.05	326.36	1.93	-48.12
O=C(NC1=CC=CC(C2=NC=CO2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020232043	1	38	-1.0	-50.04	326.28	1.92	-48.12
O=C(NC1=CC=CC(C2=NC=CO2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020232044	0	44	-1.0	-44.57	352.65	2.95	-41.62
O=C(NC1=CC=CC(C2=NC=CO2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020232044	1	44	-1.0	-44.57	352.63	2.93	-41.64
CS(=O)(=O)CCN1C=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C1=O	REAL300020232045	0	47	-1.0	-56.60	391.38	1.44	-55.16
CS(=O)(=O)CCN1C=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C1=O	REAL300020232045	1	47	-1.0	-56.59	391.43	1.45	-55.14
CS(=O)(=O)CCN1C=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C1=O	REAL300020232046	0	44	-1.0	-88.50	379.96	1.71	-86.79
CS(=O)(=O)CCN1C=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C1=O	REAL300020232046	1	44	-1.0	-88.49	380.02	1.72	-86.77
CS(=O)(=O)CCN1C=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C1=O	REAL300020232047	0	44	-1.0	-71.11	381.37	1.76	-69.35
CS(=O)(=O)CCN1C=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C1=O	REAL300020232047	1	44	-1.0	-71.09	381.44	1.78	-69.31
CC(C)CN1N=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1C(F)F	REAL300020232048	0	47	-1.0	-43.00	395.66	5.64	-37.36
CC(C)CN1N=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1C(F)F	REAL300020232048	1	47	-1.0	-43.04	395.72	5.66	-37.38
CC(C)CN1N=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1C(F)F	REAL300020232049	0	47	-1.0	-44.62	376.49	5.15	-39.47
CC(C)CN1N=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1C(F)F	REAL300020232049	1	47	-1.0	-44.65	376.54	5.17	-39.48
CC(C)CN1N=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1C(F)F	REAL300020232050	0	44	-1.0	-55.53	358.00	4.32	-51.21
CC(C)CN1N=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1C(F)F	REAL300020232050	1	44	-1.0	-55.57	358.06	4.33	-51.24
CSCC[C@H](NC(=O)NC1=C(C(F)F)N(CC(C)C)N=C1)C1=N[N-]N=N1	REAL300020232051	0	47	-1.0	-47.28	400.11	4.18	-43.10
CSCC[C@H](NC(=O)NC1=C(C(F)F)N(CC(C)C)N=C1)C1=NN=N[N-]1	REAL300020232051	1	47	-1.0	-47.25	400.17	4.20	-43.05
CC(C)CN1N=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1C(F)F	REAL300020232052	0	44	-1.0	-44.63	359.45	4.37	-40.26
CC(C)CN1N=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1C(F)F	REAL300020232052	1	44	-1.0	-44.61	359.53	4.38	-40.23
CC(C)CN1N=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1C(F)F	REAL300020232053	0	50	-1.0	-51.17	384.17	6.17	-45.00
CC(C)CN1N=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1C(F)F	REAL300020232053	1	50	-1.0	-51.17	384.22	6.17	-45.00
COC1=CC(Br)=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020232054	0	39	-1.0	-43.70	334.84	4.20	-39.50
COC1=CC(Br)=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020232054	1	39	-1.0	-43.73	334.89	4.22	-39.51
COC1=CC(Br)=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020232055	0	36	-1.0	-52.52	319.55	3.29	-49.23
COC1=CC(Br)=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020232055	1	36	-1.0	-52.54	319.61	3.30	-49.24
COC1=CC(Br)=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020232056	0	36	-1.0	-44.36	320.68	3.37	-40.99
COC1=CC(Br)=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020232056	1	36	-1.0	-44.36	320.76	3.38	-40.98
COC1=CC(Br)=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020232057	0	42	-1.0	-41.11	349.32	4.39	-36.72
COC1=CC(Br)=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020232057	1	42	-1.0	-41.14	349.37	4.41	-36.73
CN1N=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1C(F)F	REAL300020232058	0	38	-1.0	-45.38	337.14	3.27	-42.11
CN1N=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1C(F)F	REAL300020232058	1	38	-1.0	-45.39	337.08	3.25	-42.14
CN1N=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1C(F)F	REAL300020232059	0	38	-1.0	-44.82	313.06	2.84	-41.98
CN1N=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1C(F)F	REAL300020232059	1	38	-1.0	-44.84	313.11	2.86	-41.98
CN1N=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1C(F)F	REAL300020232060	0	35	-1.0	-56.17	296.34	1.91	-54.26
CN1N=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1C(F)F	REAL300020232060	1	35	-1.0	-56.19	296.40	1.94	-54.25
CSCC[C@H](NC(=O)NC1=C(C(F)F)N(C)N=C1)C1=N[N-]N=N1	REAL300020232061	0	38	-1.0	-49.26	339.95	1.87	-47.39
CSCC[C@H](NC(=O)NC1=C(C(F)F)N(C)N=C1)C1=NN=N[N-]1	REAL300020232061	1	38	-1.0	-49.28	340.01	1.88	-47.40
CN1N=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1C(F)F	REAL300020232062	0	35	-1.0	-46.75	303.94	1.90	-44.85
CN1N=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1C(F)F	REAL300020232062	1	35	-1.0	-46.76	304.02	1.91	-44.85
CN1N=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1C(F)F	REAL300020232063	0	41	-1.0	-54.06	326.46	3.79	-50.27
CN1N=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1C(F)F	REAL300020232063	1	41	-1.0	-54.06	326.51	3.79	-50.27
CC1=CC=C(Cl)C2=CC=C(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)N=C12	REAL300020232064	0	43	-1.0	-46.12	380.16	7.91	-38.21
CC1=CC=C(Cl)C2=CC=C(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)N=C12	REAL300020232064	1	43	-1.0	-46.13	380.10	7.88	-38.25
CC1=CC=C(Cl)C2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)N=C12	REAL300020232065	0	43	-1.0	-42.46	358.12	6.75	-35.71
CC1=CC=C(Cl)C2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)N=C12	REAL300020232065	1	43	-1.0	-42.44	358.07	6.73	-35.71
CC1=CC=C(Cl)C2=CC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)N=C12	REAL300020232066	0	40	-1.0	-59.83	345.63	6.52	-53.31
CC1=CC=C(Cl)C2=CC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)N=C12	REAL300020232066	1	40	-1.0	-59.83	345.57	6.50	-53.33
CSCC[C@H](NC(=O)NC1=NC2=C(C)C=CC(Cl)=C2C=C1)C1=NN=N[N-]1	REAL300020232067	0	43	-1.0	-52.28	389.16	6.47	-45.81
CSCC[C@H](NC(=O)NC1=NC2=C(C)C=CC(Cl)=C2C=C1)C1=N[N-]N=N1	REAL300020232067	1	43	-1.0	-52.33	389.10	6.46	-45.87
CC1=CC=C(Cl)C2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)N=C12	REAL300020232068	0	40	-1.0	-48.98	347.01	6.57	-42.41
CC1=CC=C(Cl)C2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)N=C12	REAL300020232068	1	40	-1.0	-49.00	346.93	6.55	-42.45
CC1=CC=C(Cl)C2=CC=C(NC(=O)N3CCCCC3CC3=NN=N[N-]3)N=C12	REAL300020232069	0	46	-1.0	-45.56	373.74	7.47	-38.09
CC1=CC=C(Cl)C2=CC=C(NC(=O)N3CCCCC3CC3=N[N-]N=N3)N=C12	REAL300020232069	1	46	-1.0	-45.54	373.70	7.47	-38.07
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC=C1CN1CCNC1=O	REAL300020232070	0	48	-1.0	-46.35	396.22	4.66	-41.69
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC=C1CN1CCNC1=O	REAL300020232070	1	48	-1.0	-46.32	396.17	4.64	-41.68
O=C(NC1=CC=CC=C1CN1CCNC1=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020232071	0	48	-1.0	-49.31	368.66	4.18	-45.13
O=C(NC1=CC=CC=C1CN1CCNC1=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020232071	1	48	-1.0	-49.33	368.72	4.19	-45.14
O=C(NC1=CC=CC=C1CN1CCNC1=O)N1CCCC1C1=N[N-]N=N1	REAL300020232072	0	45	-1.0	-62.71	355.43	3.33	-59.38
O=C(NC1=CC=CC=C1CN1CCNC1=O)N1CCCC1C1=NN=N[N-]1	REAL300020232072	1	45	-1.0	-62.69	355.48	3.35	-59.34
CSCC[C@H](NC(=O)NC1=CC=CC=C1CN1CCNC1=O)C1=N[N-]N=N1	REAL300020232073	0	48	-1.0	-48.26	405.18	3.20	-45.06
CSCC[C@H](NC(=O)NC1=CC=CC=C1CN1CCNC1=O)C1=NN=N[N-]1	REAL300020232073	1	48	-1.0	-48.25	405.23	3.21	-45.04
O=C(NC1=CC=CC=C1CN1CCNC1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020232074	0	45	-1.0	-51.53	357.73	3.34	-48.19
O=C(NC1=CC=CC=C1CN1CCNC1=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020232074	1	45	-1.0	-51.57	357.80	3.35	-48.22
O=C(NC1=CC=CC=C1CN1CCNC1=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020232075	0	51	-1.0	-54.28	387.80	4.45	-49.83
O=C(NC1=CC=CC=C1CN1CCNC1=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020232075	1	51	-1.0	-54.33	387.83	4.46	-49.87
CCCC1=CSC([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020232076	0	39	-2.0	-86.79	348.74	3.90	-82.89
CCCC1=CSC([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020232076	1	39	-2.0	-86.82	348.68	3.88	-82.94
CCCC1=CSC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020232076	1	40	-1.0	-40.01	352.02	5.11	-34.90
CCCC1=CSC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020232076	1	40	-1.0	-40.01	351.96	5.08	-34.93
CCCC1=CSC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020232077	0	40	-1.0	-41.53	332.75	4.63	-36.90
CCCC1=CSC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020232077	1	40	-1.0	-41.59	332.81	4.65	-36.94
CCCC1=CSC([N-]C(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020232077	1	39	-2.0	-88.91	331.73	3.79	-85.12
CCCC1=CSC([N-]C(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020232077	1	39	-2.0	-88.93	331.79	3.80	-85.13
CCCC1=CSC(NC(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300020232078	0	37	-1.0	-48.81	317.31	3.70	-45.11
CCCC1=CSC(NC(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL300020232078	1	37	-1.0	-48.77	317.37	3.72	-45.05
CCCC1=CSC([N-]C(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300020232078	1	36	-2.0	-109.08	315.90	2.65	-106.43
CCCC1=CSC([N-]C(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL300020232078	1	36	-2.0	-109.07	315.95	2.68	-106.39
CCCC1=CSC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=N1	REAL300020232079	0	40	-1.0	-43.04	360.93	3.68	-39.36
CCCC1=CSC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=N1	REAL300020232079	1	40	-1.0	-43.10	360.98	3.69	-39.41
CCCC1=CSC([N-]C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=N1	REAL300020232079	1	39	-2.0	-99.86	357.67	2.47	-97.39
CCCC1=CSC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020232080	0	37	-1.0	-40.32	318.78	3.75	-36.57
CCCC1=CSC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020232080	1	37	-1.0	-40.31	318.85	3.77	-36.54
CCCC1=CSC([N-]C(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020232080	1	36	-2.0	-89.13	316.69	2.72	-86.41
CCCC1=CSC([N-]C(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020232080	1	36	-2.0	-89.09	316.76	2.73	-86.36
CCCC1=CSC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020232081	0	43	-1.0	-45.21	341.01	5.48	-39.73
CCCC1=CSC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020232081	1	43	-1.0	-45.22	341.06	5.50	-39.72
CCCC1=CSC([N-]C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020232081	1	42	-2.0	-105.56	340.32	4.76	-100.80
CCCC1=CSC([N-]C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020232081	1	42	-2.0	-105.56	340.36	4.78	-100.78
COC1=CC=NC2=C(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=CC=C12	REAL300020232082	0	44	-1.0	-44.22	371.37	4.76	-39.46
COC1=CC=NC2=C(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=CC=C12	REAL300020232082	1	44	-1.0	-44.21	371.31	4.73	-39.48
COC1=CC=NC2=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=CC=C12	REAL300020232083	0	44	-1.0	-46.06	353.65	4.23	-41.83
COC1=CC=NC2=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=CC=C12	REAL300020232083	1	44	-1.0	-46.05	353.59	4.22	-41.83
COC1=CC=NC2=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=CC=C12	REAL300020232084	0	41	-1.0	-56.76	337.93	3.34	-53.42
COC1=CC=NC2=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=CC=C12	REAL300020232084	1	41	-1.0	-56.75	337.87	3.32	-53.43
COC1=CC=NC2=C(NC(=O)N[C@@H](CCSC)C3=NN=N[N-]3)C=CC=C12	REAL300020232085	0	44	-1.0	-49.62	381.46	3.30	-46.32
COC1=CC=NC2=C(NC(=O)N[C@@H](CCSC)C3=N[N-]N=N3)C=CC=C12	REAL300020232085	1	44	-1.0	-49.62	381.40	3.29	-46.33
COC1=CC=NC2=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=CC=C12	REAL300020232086	0	41	-1.0	-45.96	339.30	3.38	-42.58
COC1=CC=NC2=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=CC=C12	REAL300020232086	1	41	-1.0	-45.96	339.23	3.37	-42.59
COC1=CC=NC2=C(NC(=O)N3CCCCC3CC3=NN=N[N-]3)C=CC=C12	REAL300020232087	0	47	-1.0	-53.15	361.27	5.13	-48.02
COC1=CC=NC2=C(NC(=O)N3CCCCC3CC3=N[N-]N=N3)C=CC=C12	REAL300020232087	1	47	-1.0	-53.17	361.21	5.12	-48.05
CNC(=O)CN1N=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1C	REAL300020232088	0	45	-1.0	-58.94	385.01	2.58	-56.36
CNC(=O)CN1N=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1C	REAL300020232088	1	45	-1.0	-58.95	384.96	2.55	-56.40
CNC(=O)CN1N=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1C	REAL300020232089	0	45	-1.0	-56.37	366.58	2.09	-54.28
CNC(=O)CN1N=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1C	REAL300020232089	1	45	-1.0	-56.38	366.64	2.11	-54.27
CNC(=O)CN1N=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1C	REAL300020232090	0	42	-1.0	-64.23	351.14	1.19	-63.04
CNC(=O)CN1N=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1C	REAL300020232090	1	42	-1.0	-64.26	351.20	1.20	-63.06
CNC(=O)CN1N=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1C	REAL300020232091	0	45	-1.0	-57.58	393.92	1.14	-56.44
CNC(=O)CN1N=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1C	REAL300020232091	1	45	-1.0	-57.55	393.97	1.15	-56.40
CNC(=O)CN1N=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1C	REAL300020232092	0	42	-1.0	-54.66	351.76	1.23	-53.43
CNC(=O)CN1N=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1C	REAL300020232092	1	42	-1.0	-54.68	351.84	1.24	-53.44
CNC(=O)CN1N=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1C	REAL300020232093	0	48	-1.0	-63.52	373.70	2.98	-60.54
CNC(=O)CN1N=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1C	REAL300020232093	1	48	-1.0	-63.51	373.73	2.98	-60.53
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CN=CC(Br)=C1	REAL300020232094	0	34	-1.0	-41.29	319.51	3.60	-37.69
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CN=CC(Br)=C1	REAL300020232094	1	34	-1.0	-41.36	319.45	3.57	-37.79
O=C(NC1=CN=CC(Br)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020232095	0	34	-1.0	-42.25	300.16	3.16	-39.09
O=C(NC1=CN=CC(Br)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020232095	1	34	-1.0	-42.22	300.10	3.15	-39.07
O=C(NC1=CN=CC(Br)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020232096	0	31	-1.0	-51.12	284.65	2.26	-48.86
O=C(NC1=CN=CC(Br)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020232096	1	31	-1.0	-51.05	284.59	2.24	-48.81
CSCC[C@H](NC(=O)NC1=CN=CC(Br)=C1)C1=NN=N[N-]1	REAL300020232097	0	34	-1.0	-45.80	328.32	2.21	-43.59
CSCC[C@H](NC(=O)NC1=CN=CC(Br)=C1)C1=N[N-]N=N1	REAL300020232097	1	34	-1.0	-45.80	328.26	2.19	-43.61
O=C(NC1=CN=CC(Br)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020232098	0	31	-1.0	-42.89	286.43	2.28	-40.61
O=C(NC1=CN=CC(Br)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020232098	1	31	-1.0	-42.89	286.36	2.28	-40.61
O=C(NC1=CN=CC(Br)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020232099	0	37	-1.0	-38.24	313.04	3.30	-34.94
O=C(NC1=CN=CC(Br)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020232099	1	37	-1.0	-38.27	313.03	3.29	-34.98
CCOC(=O)CN1C=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C1=O	REAL300020232100	0	47	-1.0	-61.51	406.96	6.76	-54.75
CCOC(=O)CN1C=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C1=O	REAL300020232100	1	47	-1.0	-61.56	407.02	6.79	-54.77
CCOC(=O)CN1C=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C1=O	REAL300020232101	0	47	-1.0	-53.02	384.14	5.24	-47.78
CCOC(=O)CN1C=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C1=O	REAL300020232101	1	47	-1.0	-53.03	384.19	5.25	-47.78
CCOC(=O)CN1C=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C1=O	REAL300020232102	0	44	-1.0	-83.07	372.61	5.43	-77.64
CCOC(=O)CN1C=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C1=O	REAL300020232102	1	44	-1.0	-83.07	372.67	5.44	-77.63
CCOC(=O)CN1C=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C1=O	REAL300020232103	0	47	-1.0	-61.36	416.63	5.03	-56.33
CCOC(=O)CN1C=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C1=O	REAL300020232103	1	47	-1.0	-61.33	416.69	5.05	-56.28
CCOC(=O)CN1C=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C1=O	REAL300020232104	0	44	-1.0	-61.17	374.03	5.49	-55.68
CCOC(=O)CN1C=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C1=O	REAL300020232104	1	44	-1.0	-61.18	374.11	5.50	-55.68
CCOC(=O)CN1C=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C1=O	REAL300020232105	0	50	-1.0	-61.92	398.13	5.56	-56.36
CCOC(=O)CN1C=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C1=O	REAL300020232105	1	50	-1.0	-61.94	398.17	5.57	-56.37
COC(=O)C1=CC=C(N2C=C(C)C=N2)C(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020232106	0	48	-1.0	-70.06	398.57	6.62	-63.44
COC(=O)C1=CC=C(N2C=C(C)C=N2)C(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020232106	1	48	-1.0	-70.06	398.51	6.61	-63.45
COC(=O)C1=CC=C(N2C=C(C)C=N2)C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020232107	0	48	-1.0	-54.05	400.15	6.68	-47.37
COC(=O)C1=CC=C(N2C=C(C)C=N2)C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020232107	1	48	-1.0	-54.06	400.07	6.67	-47.39
CC1=CC(Cl)=CC(C)=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020232108	0	41	-1.0	-42.85	356.84	6.79	-36.06
CC1=CC(Cl)=CC(C)=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020232108	1	41	-1.0	-42.85	356.78	6.76	-36.09
CC1=CC(Cl)=CC(C)=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020232109	0	41	-1.0	-41.66	340.72	6.42	-35.24
CC1=CC(Cl)=CC(C)=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020232109	1	41	-1.0	-41.65	340.78	6.44	-35.21
CC1=CC(Cl)=CC(C)=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020232110	0	38	-1.0	-50.62	322.49	5.34	-45.28
CC1=CC(Cl)=CC(C)=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020232110	1	38	-1.0	-50.61	322.54	5.36	-45.25
CSCC[C@H](NC(=O)NC1=C(C)C=C(Cl)C=C1C)C1=N[N-]N=N1	REAL300020232111	0	41	-1.0	-44.34	365.26	5.16	-39.18
CSCC[C@H](NC(=O)NC1=C(C)C=C(Cl)C=C1C)C1=NN=N[N-]1	REAL300020232111	1	41	-1.0	-44.37	365.32	5.18	-39.19
CC1=CC(Cl)=CC(C)=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020232112	0	38	-1.0	-42.84	330.28	5.75	-37.09
CC1=CC(Cl)=CC(C)=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020232112	1	38	-1.0	-42.83	330.35	5.75	-37.08
CC1=CC(Cl)=CC(C)=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020232113	0	44	-1.0	-46.44	346.49	7.13	-39.31
CC1=CC(Cl)=CC(C)=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020232113	1	44	-1.0	-46.43	346.55	7.14	-39.29
CC(C)C1=CC(Br)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020232114	0	44	-1.0	-42.06	361.16	7.01	-35.05
CC(C)C1=CC(Br)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020232114	1	44	-1.0	-42.08	361.22	7.03	-35.05
CC(C)C1=CC(Br)=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020232115	0	41	-1.0	-52.35	346.80	6.16	-46.19
CC(C)C1=CC(Br)=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020232115	1	41	-1.0	-52.37	346.86	6.18	-46.19
CC(C)C1=CC(Br)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020232116	0	41	-1.0	-41.76	347.10	6.17	-35.59
CC(C)C1=CC(Br)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020232116	1	41	-1.0	-41.79	347.17	6.18	-35.61
CC1=CC=NC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020232117	0	37	-1.0	-53.16	315.84	3.86	-49.30
CC1=CC=NC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020232117	1	37	-1.0	-53.15	315.78	3.83	-49.32
CSCC[C@H](NC(=O)NC1=CN=CC=C1C)C1=N[N-]N=N1	REAL300020232118	0	37	-1.0	-51.35	325.02	2.38	-48.97
CSCC[C@H](NC(=O)NC1=CN=CC=C1C)C1=NN=N[N-]1	REAL300020232118	1	37	-1.0	-51.35	325.08	2.39	-48.96
CC1=CC=NC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020232119	0	40	-1.0	-54.19	303.11	4.15	-50.04
CC1=CC=NC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020232119	1	40	-1.0	-54.23	303.16	4.16	-50.07
O=C(NC1=CC=NC=C1I)N1CCC(C2=NN=N[N-]2)CC1	REAL300020232120	0	34	-1.0	-39.69	302.38	3.74	-35.95
O=C(NC1=CC=NC=C1I)N1CCC(C2=N[N-]N=N2)CC1	REAL300020232120	1	34	-1.0	-39.63	302.32	3.72	-35.91
O=C(NC1=CC=NC=C1I)N1CCCC1C1=NN=N[N-]1	REAL300020232121	0	31	-1.0	-48.30	288.65	2.90	-45.40
O=C(NC1=CC=NC=C1I)N1CCCC1C1=N[N-]N=N1	REAL300020232121	1	31	-1.0	-48.33	288.59	2.87	-45.46
O=C(NC1=CC=NC=C1I)N1CCC(C2=NN=N[N-]2)C1	REAL300020232122	0	31	-1.0	-39.48	289.27	2.90	-36.58
O=C(NC1=CC=NC=C1I)N1CCC(C2=N[N-]N=N2)C1	REAL300020232122	1	31	-1.0	-39.51	289.19	2.88	-36.63
O=C(NC1=CC=C2NC(C(F)F)=NC2=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020232123	0	41	-1.0	-52.06	363.80	4.48	-47.58
O=C(NC1=CC=C2NC(C(F)F)=NC2=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020232123	1	41	-1.0	-52.09	363.74	4.45	-47.64
O=C(NC1=CC=C2NC(C(F)F)=NC2=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020232124	0	41	-1.0	-46.24	344.51	4.04	-42.20
O=C(NC1=CC=C2NC(C(F)F)=NC2=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020232124	1	41	-1.0	-46.29	344.57	4.05	-42.24
O=C(NC1=CC=C2NC(C(F)F)=NC2=C1)N1CCCC1C1=N[N-]N=N1	REAL300020232125	0	38	-1.0	-54.78	329.18	3.11	-51.67
O=C(NC1=CC=C2NC(C(F)F)=NC2=C1)N1CCCC1C1=NN=N[N-]1	REAL300020232125	1	38	-1.0	-54.80	329.24	3.13	-51.67
CSCC[C@H](NC(=O)NC1=CC=C2NC(C(F)F)=NC2=C1)C1=N[N-]N=N1	REAL300020232126	0	41	-1.0	-61.07	373.05	3.05	-58.02
CSCC[C@H](NC(=O)NC1=CC=C2NC(C(F)F)=NC2=C1)C1=NN=N[N-]1	REAL300020232126	1	41	-1.0	-61.06	373.10	3.06	-58.00
O=C(NC1=CC=C2NC(C(F)F)=NC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020232127	0	38	-1.0	-46.10	330.58	3.16	-42.94
O=C(NC1=CC=C2NC(C(F)F)=NC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020232127	1	38	-1.0	-46.15	330.66	3.18	-42.97
O=C(NC1=CC=C2NC(C(F)F)=NC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020232128	0	44	-1.0	-48.89	357.19	4.16	-44.73
O=C(NC1=CC=C2NC(C(F)F)=NC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020232128	1	44	-1.0	-48.82	357.23	4.17	-44.65
CC1=CC=C(Br)C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020232129	0	38	-1.0	-40.24	342.16	6.20	-34.04
CC1=CC=C(Br)C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020232129	1	38	-1.0	-40.23	342.11	6.17	-34.06
CC1=CC=C(Br)C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020232130	0	38	-1.0	-41.73	323.14	5.74	-35.99
CC1=CC=C(Br)C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020232130	1	38	-1.0	-41.81	323.20	5.75	-36.06
CC1=CC=C(Br)C(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020232131	0	35	-1.0	-52.16	309.00	4.84	-47.32
CC1=CC=C(Br)C(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020232131	1	35	-1.0	-52.11	309.05	4.86	-47.25
CSCC[C@H](NC(=O)NC1=CC(C)=CC=C1Br)C1=N[N-]N=N1	REAL300020232132	0	38	-1.0	-45.08	352.55	4.80	-40.28
CSCC[C@H](NC(=O)NC1=CC(C)=CC=C1Br)C1=NN=N[N-]1	REAL300020232132	1	38	-1.0	-45.08	352.61	4.82	-40.26
CC1=CC=C(Br)C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020232133	0	35	-1.0	-41.49	309.47	4.86	-36.63
CC1=CC=C(Br)C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020232133	1	35	-1.0	-41.49	309.55	4.87	-36.62
CC1=CC=C(Br)C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020232134	0	41	-1.0	-47.20	332.29	6.62	-40.58
CC1=CC=C(Br)C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020232134	1	41	-1.0	-47.19	332.36	6.62	-40.57
O=C(NC1=CC=C(Br)C([N+](=O)[O-])=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020232135	0	37	-1.0	-43.16	328.61	5.39	-37.77
O=C(NC1=CC=C(Br)C([N+](=O)[O-])=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020232135	1	37	-1.0	-43.16	328.66	5.41	-37.75
O=C(NC1=CC=C(Br)C([N+](=O)[O-])=C1)N1CCCC1C1=N[N-]N=N1	REAL300020232136	0	34	-1.0	-58.62	313.18	4.49	-54.13
O=C(NC1=CC=C(Br)C([N+](=O)[O-])=C1)N1CCCC1C1=NN=N[N-]1	REAL300020232136	1	34	-1.0	-58.67	313.24	4.51	-54.16
O=C(NC1=CC=C(Br)C([N+](=O)[O-])=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020232137	0	34	-1.0	-51.69	314.25	4.58	-47.11
O=C(NC1=CC=C(Br)C([N+](=O)[O-])=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020232137	1	34	-1.0	-51.74	314.32	4.58	-47.16
O=C(NC1=CC(F)=C(Br)C(F)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020232138	0	35	-1.0	-42.32	316.77	4.99	-37.33
O=C(NC1=CC(F)=C(Br)C(F)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020232138	1	35	-1.0	-42.30	316.83	5.00	-37.30
O=C(NC1=CC(F)=C(Br)C(F)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020232139	0	32	-1.0	-49.74	301.03	4.10	-45.64
O=C(NC1=CC(F)=C(Br)C(F)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020232139	1	32	-1.0	-49.73	301.09	4.12	-45.61
O=C(NC1=CC(F)=C(Br)C(F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020232140	0	32	-1.0	-42.28	302.55	4.15	-38.13
O=C(NC1=CC(F)=C(Br)C(F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020232140	1	32	-1.0	-42.29	302.63	4.16	-38.13
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1C(=O)OC(C)(C)C	REAL300020232141	0	53	-1.0	-44.04	409.84	7.52	-36.52
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1C(=O)OC(C)(C)C	REAL300020232141	1	53	-1.0	-44.02	409.90	7.53	-36.49
CC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1C(=O)OC(C)(C)C	REAL300020232142	0	50	-1.0	-54.62	394.16	6.61	-48.01
CC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1C(=O)OC(C)(C)C	REAL300020232142	1	50	-1.0	-54.67	394.22	6.62	-48.05
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1C(=O)OC(C)(C)C	REAL300020232143	0	50	-1.0	-44.11	395.80	6.67	-37.44
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1C(=O)OC(C)(C)C	REAL300020232143	1	50	-1.0	-44.14	395.88	6.68	-37.46
CCC1=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=NN1CC(C)C	REAL300020232144	0	50	-1.0	-44.78	407.46	6.21	-38.57
CCC1=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=NN1CC(C)C	REAL300020232144	1	50	-1.0	-44.74	407.40	6.18	-38.56
CCC1=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=NN1CC(C)C	REAL300020232145	0	50	-1.0	-46.73	380.61	5.22	-41.51
CCC1=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=NN1CC(C)C	REAL300020232145	1	50	-1.0	-46.78	380.67	5.23	-41.55
CCC1=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=NN1CC(C)C	REAL300020232146	0	47	-1.0	-58.84	372.84	4.80	-54.04
CCC1=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=NN1CC(C)C	REAL300020232146	1	47	-1.0	-58.80	372.90	4.81	-53.99
CCC1=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=NN1CC(C)C	REAL300020232147	0	50	-1.0	-50.85	416.40	4.78	-46.07
CCC1=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=NN1CC(C)C	REAL300020232147	1	50	-1.0	-50.88	416.45	4.79	-46.09
CCC1=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=NN1CC(C)C	REAL300020232148	0	47	-1.0	-47.32	375.26	4.81	-42.51
CCC1=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=NN1CC(C)C	REAL300020232148	1	47	-1.0	-47.35	375.33	4.83	-42.52
CCC1=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=NN1CC(C)C	REAL300020232149	0	53	-1.0	-55.48	396.22	6.62	-48.86
CCC1=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=NN1CC(C)C	REAL300020232149	1	53	-1.0	-55.50	396.28	6.62	-48.88
O=C(NCC1=CC=CC=C1)C1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020232150	0	49	-1.0	-72.89	406.36	5.53	-67.36
O=C(NCC1=CC=CC=C1)C1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020232150	1	49	-1.0	-72.90	406.42	5.54	-67.36
O=C(NCC1=CC=CC=C1)C1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020232151	0	49	-1.0	-55.86	407.72	5.58	-50.28
O=C(NCC1=CC=CC=C1)C1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020232151	1	49	-1.0	-55.82	407.79	5.59	-50.23
CC1(C)CC(C)(C)C2=CC(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=CC=C21	REAL300020232152	0	54	-1.0	-41.68	423.34	8.61	-33.07
CC1(C)CC(C)(C)C2=CC(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=CC=C21	REAL300020232152	1	54	-1.0	-41.69	423.28	8.59	-33.10
CC1(C)CC(C)(C)C2=CC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=CC=C21	REAL300020232153	0	54	-1.0	-42.92	404.17	8.17	-34.75
CC1(C)CC(C)(C)C2=CC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=CC=C21	REAL300020232153	1	54	-1.0	-42.92	404.23	8.18	-34.74
CC1(C)CC(C)(C)C2=CC(NC(=O)N3CCCC3C3=N[N-]N=N3)=CC=C21	REAL300020232154	0	51	-1.0	-56.38	388.69	7.22	-49.16
CC1(C)CC(C)(C)C2=CC(NC(=O)N3CCCC3C3=NN=N[N-]3)=CC=C21	REAL300020232154	1	51	-1.0	-56.43	388.75	7.23	-49.20
CSCC[C@H](NC(=O)NC1=CC=C2C(=C1)C(C)(C)CC2(C)C)C1=N[N-]N=N1	REAL300020232155	0	54	-1.0	-48.11	431.68	7.20	-40.91
CSCC[C@H](NC(=O)NC1=CC=C2C(=C1)C(C)(C)CC2(C)C)C1=NN=N[N-]1	REAL300020232155	1	54	-1.0	-48.10	431.74	7.21	-40.89
CC1(C)CC(C)(C)C2=CC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=CC=C21	REAL300020232156	0	51	-1.0	-43.78	390.27	7.27	-36.51
CC1(C)CC(C)(C)C2=CC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=CC=C21	REAL300020232156	1	51	-1.0	-43.78	390.34	7.27	-36.51
CC1(C)CC(C)(C)C2=CC(NC(=O)N3CCCCC3CC3=N[N-]N=N3)=CC=C21	REAL300020232157	0	57	-1.0	-43.76	413.91	8.24	-35.52
CC1(C)CC(C)(C)C2=CC(NC(=O)N3CCCCC3CC3=NN=N[N-]3)=CC=C21	REAL300020232157	1	57	-1.0	-43.72	413.95	8.24	-35.48
O=C(NC1=C(C2CC2)N=CS1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020232158	0	38	-1.0	-47.28	338.68	4.36	-42.92
O=C([N-]C1=C(C2CC2)N=CS1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020232158	1	37	-2.0	-83.72	337.14	3.23	-80.49
O=C(NC1=C(C2CC2)N=CS1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020232158	1	38	-1.0	-47.26	338.62	4.33	-42.93
O=C([N-]C1=C(C2CC2)N=CS1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020232158	1	37	-2.0	-83.72	337.08	3.20	-80.52
O=C(NC1=C(C2CC2)N=CS1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020232159	0	38	-1.0	-42.80	319.45	3.89	-38.91
O=C(NC1=C(C2CC2)N=CS1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020232159	1	38	-1.0	-42.77	319.50	3.90	-38.87
O=C(NC1=C(C2CC2)N=CS1)N1CCCC1C1=N[N-]N=N1	REAL300020232160	0	35	-1.0	-50.75	303.98	2.96	-47.79
O=C(NC1=C(C2CC2)N=CS1)N1CCCC1C1=NN=N[N-]1	REAL300020232160	1	35	-1.0	-50.75	304.04	2.98	-47.77
CSCC[C@H](NC(=O)NC1=C(C2CC2)N=CS1)C1=N[N-]N=N1	REAL300020232161	0	38	-1.0	-44.47	347.59	2.93	-41.54
CSCC[C@H](NC(=O)NC1=C(C2CC2)N=CS1)C1=NN=N[N-]1	REAL300020232161	1	38	-1.0	-44.45	347.64	2.94	-41.51
O=C(NC1=C(C2CC2)N=CS1)N1CCC(C2=N[N-]N=N2)C1	REAL300020232162	0	35	-1.0	-42.13	305.45	3.00	-39.13
O=C(NC1=C(C2CC2)N=CS1)N1CCC(C2=NN=N[N-]2)C1	REAL300020232162	1	35	-1.0	-42.15	305.52	3.02	-39.13
O=C(NC1=C(C2CC2)N=CS1)N1CCCCC1CC1=N[N-]N=N1	REAL300020232163	0	41	-1.0	-46.54	327.67	4.75	-41.79
O=C(NC1=C(C2CC2)N=CS1)N1CCCCC1CC1=NN=N[N-]1	REAL300020232163	1	41	-1.0	-46.52	327.72	4.77	-41.75
CC1=CC=C(C2=NC=CO2)C=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020232164	0	44	-1.0	-49.76	377.25	4.19	-45.57
CC1=CC=C(C2=NC=CO2)C=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020232164	1	44	-1.0	-49.74	377.19	4.16	-45.58
CC1=CC=C(C2=NC=CO2)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020232165	0	44	-1.0	-52.56	357.47	3.69	-48.87
CC1=CC=C(C2=NC=CO2)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020232165	1	44	-1.0	-52.53	357.41	3.68	-48.85
CC1=CC=C(C2=NC=CO2)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020232166	0	41	-1.0	-67.87	343.40	2.80	-65.07
CC1=CC=C(C2=NC=CO2)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020232166	1	41	-1.0	-67.82	343.34	2.78	-65.04
CSCC[C@H](NC(=O)NC1=CC(C2=NC=CO2)=CC=C1C)C1=NN=N[N-]1	REAL300020232167	0	44	-1.0	-59.49	385.99	2.70	-56.79
CSCC[C@H](NC(=O)NC1=CC(C2=NC=CO2)=CC=C1C)C1=N[N-]N=N1	REAL300020232167	1	44	-1.0	-59.42	385.93	2.69	-56.73
CC1=CC=C(C2=NC=CO2)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020232168	0	41	-1.0	-53.35	343.82	2.80	-50.55
CC1=CC=C(C2=NC=CO2)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020232168	1	41	-1.0	-53.32	343.75	2.79	-50.53
CC1=CC=C(C2=NC=CO2)C=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020232169	0	47	-1.0	-58.00	366.12	4.52	-53.48
CC1=CC=C(C2=NC=CO2)C=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020232169	1	47	-1.0	-58.02	366.07	4.51	-53.51
COCCCS(=O)(=O)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020232170	0	48	-1.0	-62.50	406.06	1.66	-60.84
COCCCS(=O)(=O)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020232170	1	48	-1.0	-62.51	406.12	1.67	-60.84
COCCCS(=O)(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020232171	0	48	-1.0	-52.81	407.19	1.75	-51.06
COCCCS(=O)(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020232171	1	48	-1.0	-52.78	407.26	1.75	-51.03
CC1=CC(C(=O)N2CCOCC2)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020232172	0	53	-1.0	-48.78	404.87	4.57	-44.21
CC1=CC(C(=O)N2CCOCC2)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020232172	1	53	-1.0	-48.79	404.93	4.58	-44.21
CC1=CC(C(=O)N2CCOCC2)=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020232173	0	50	-1.0	-54.00	390.23	3.70	-50.30
CC1=CC(C(=O)N2CCOCC2)=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020232173	1	50	-1.0	-54.03	390.29	3.72	-50.31
CC1=CC(C(=O)N2CCOCC2)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020232174	0	50	-1.0	-46.07	392.30	3.75	-42.32
CC1=CC(C(=O)N2CCOCC2)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020232174	1	50	-1.0	-46.09	392.38	3.77	-42.32
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC2=C1OCCO2	REAL300020232175	0	41	-1.0	-53.15	345.60	4.07	-49.08
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC2=C1OCCO2	REAL300020232175	1	41	-1.0	-53.11	345.54	4.04	-49.07
O=C(NC1=CC=CC2=C1OCCO2)N1CCC(C2=N[N-]N=N2)CC1	REAL300020232176	0	41	-1.0	-44.14	326.72	3.55	-40.59
O=C(NC1=CC=CC2=C1OCCO2)N1CCC(C2=NN=N[N-]2)CC1	REAL300020232176	1	41	-1.0	-44.16	326.78	3.57	-40.59
O=C(NC1=CC=CC2=C1OCCO2)N1CCCC1C1=N[N-]N=N1	REAL300020232177	0	38	-1.0	-54.04	311.41	2.66	-51.38
O=C(NC1=CC=CC2=C1OCCO2)N1CCCC1C1=NN=N[N-]1	REAL300020232177	1	38	-1.0	-54.09	311.47	2.68	-51.41
CSCC[C@H](NC(=O)NC1=CC=CC2=C1OCCO2)C1=N[N-]N=N1	REAL300020232178	0	41	-1.0	-47.89	354.93	2.62	-45.27
CSCC[C@H](NC(=O)NC1=CC=CC2=C1OCCO2)C1=NN=N[N-]1	REAL300020232178	1	41	-1.0	-47.88	354.99	2.64	-45.24
O=C(NC1=CC=CC2=C1OCCO2)N1CCC(C2=N[N-]N=N2)C1	REAL300020232179	0	38	-1.0	-44.20	312.77	2.71	-41.49
O=C(NC1=CC=CC2=C1OCCO2)N1CCC(C2=NN=N[N-]2)C1	REAL300020232179	1	38	-1.0	-44.24	312.84	2.72	-41.52
O=C(NC1=CC=CC2=C1OCCO2)N1CCCCC1CC1=N[N-]N=N1	REAL300020232180	0	44	-1.0	-45.59	341.56	3.75	-41.84
O=C(NC1=CC=CC2=C1OCCO2)N1CCCCC1CC1=NN=N[N-]1	REAL300020232180	1	44	-1.0	-45.61	341.61	3.76	-41.85
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC2=C(C=C1Cl)OCO2	REAL300020232181	0	38	-1.0	-41.63	342.84	4.06	-37.57
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC2=C(C=C1Cl)OCO2	REAL300020232181	1	38	-1.0	-41.64	342.78	4.03	-37.61
O=C(NC1=CC2=C(C=C1Cl)OCO2)N1CCC(C2=N[N-]N=N2)CC1	REAL300020232182	0	38	-1.0	-43.10	324.84	3.60	-39.50
O=C(NC1=CC2=C(C=C1Cl)OCO2)N1CCC(C2=NN=N[N-]2)CC1	REAL300020232182	1	38	-1.0	-43.15	324.90	3.62	-39.53
O=C(NC1=CC2=C(C=C1Cl)OCO2)N1CCCC1C1=N[N-]N=N1	REAL300020232183	0	35	-1.0	-53.00	309.41	2.70	-50.30
O=C(NC1=CC2=C(C=C1Cl)OCO2)N1CCCC1C1=NN=N[N-]1	REAL300020232183	1	35	-1.0	-53.03	309.46	2.73	-50.30
CSCC[C@H](NC(=O)NC1=CC2=C(C=C1Cl)OCO2)C1=N[N-]N=N1	REAL300020232184	0	38	-1.0	-46.90	353.06	2.65	-44.25
CSCC[C@H](NC(=O)NC1=CC2=C(C=C1Cl)OCO2)C1=NN=N[N-]1	REAL300020232184	1	38	-1.0	-46.92	353.11	2.67	-44.25
O=C(NC1=CC2=C(C=C1Cl)OCO2)N1CCC(C2=N[N-]N=N2)C1	REAL300020232185	0	35	-1.0	-43.36	310.03	2.70	-40.66
O=C(NC1=CC2=C(C=C1Cl)OCO2)N1CCC(C2=NN=N[N-]2)C1	REAL300020232185	1	35	-1.0	-43.37	310.11	2.71	-40.66
O=C(NC1=CC2=C(C=C1Cl)OCO2)N1CCCCC1CC1=N[N-]N=N1	REAL300020232186	0	41	-1.0	-48.93	332.46	4.57	-44.36
O=C(NC1=CC2=C(C=C1Cl)OCO2)N1CCCCC1CC1=NN=N[N-]1	REAL300020232186	1	41	-1.0	-48.92	332.51	4.57	-44.35
O=C(NC1=CN(C2=NC3=CC=CC=C3N=C2)N=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020232187	0	46	-1.0	-47.40	380.54	5.01	-42.39
O=C(NC1=CN(C2=NC3=CC=CC=C3N=C2)N=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020232187	1	46	-1.0	-47.34	380.48	5.00	-42.34
O=C(NC1=CN(C2=NC3=CC=CC=C3N=C2)N=C1)N1CCCC1C1=NN=N[N-]1	REAL300020232188	0	43	-1.0	-56.64	365.10	4.12	-52.52
O=C(NC1=CN(C2=NC3=CC=CC=C3N=C2)N=C1)N1CCCC1C1=N[N-]N=N1	REAL300020232188	1	43	-1.0	-56.60	365.05	4.09	-52.51
O=C(NC1=CN(C2=NC3=CC=CC=C3N=C2)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020232189	0	43	-1.0	-47.09	366.58	4.15	-42.94
O=C(NC1=CN(C2=NC3=CC=CC=C3N=C2)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020232189	1	43	-1.0	-47.09	366.51	4.13	-42.96
CC1=NC=C(C2=CC=CC=C2)C=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020232190	0	47	-1.0	-50.96	391.11	7.33	-43.63
CC1=NC=C(C2=CC=CC=C2)C=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020232190	1	47	-1.0	-51.01	391.06	7.31	-43.70
CC1=NC=C(C2=CC=CC=C2)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020232191	0	47	-1.0	-45.19	369.77	6.71	-38.48
CC1=NC=C(C2=CC=CC=C2)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020232191	1	47	-1.0	-45.20	369.82	6.73	-38.47
CC1=NC=C(C2=CC=CC=C2)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020232192	0	44	-1.0	-55.35	355.82	5.84	-49.51
CC1=NC=C(C2=CC=CC=C2)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020232192	1	44	-1.0	-55.42	355.88	5.87	-49.55
CSCC[C@H](NC(=O)NC1=CC(C2=CC=CC=C2)=CN=C1C)C1=N[N-]N=N1	REAL300020232193	0	47	-1.0	-48.41	400.31	5.86	-42.55
CSCC[C@H](NC(=O)NC1=CC(C2=CC=CC=C2)=CN=C1C)C1=NN=N[N-]1	REAL300020232193	1	47	-1.0	-48.42	400.36	5.88	-42.54
CC1=NC=C(C2=CC=CC=C2)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020232194	0	44	-1.0	-45.57	357.20	5.91	-39.66
CC1=NC=C(C2=CC=CC=C2)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020232194	1	44	-1.0	-45.53	357.28	5.92	-39.61
CC1=NC=C(C2=CC=CC=C2)C=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020232195	0	50	-1.0	-51.66	378.88	7.61	-44.05
CC1=NC=C(C2=CC=CC=C2)C=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020232195	1	50	-1.0	-51.60	378.93	7.61	-43.99
CC1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC=C1C1=CC=CC=C1	REAL300020232196	0	48	-1.0	-42.68	399.19	8.87	-33.81
CC1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC=C1C1=CC=CC=C1	REAL300020232196	1	48	-1.0	-42.69	399.13	8.85	-33.84
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1C1=CC=CC=C1	REAL300020232197	0	48	-1.0	-44.47	380.23	8.34	-36.13
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1C1=CC=CC=C1	REAL300020232197	1	48	-1.0	-44.50	380.29	8.36	-36.14
CC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1C1=CC=CC=C1	REAL300020232198	0	45	-1.0	-56.66	366.15	7.54	-49.12
CC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1C1=CC=CC=C1	REAL300020232198	1	45	-1.0	-56.68	366.21	7.54	-49.14
CSCC[C@H](NC(=O)NC1=CC=C(C2=CC=CC=C2)C(C)=C1)C1=N[N-]N=N1	REAL300020232199	0	48	-1.0	-47.44	409.73	7.47	-39.97
CSCC[C@H](NC(=O)NC1=CC=C(C2=CC=CC=C2)C(C)=C1)C1=NN=N[N-]1	REAL300020232199	1	48	-1.0	-47.48	409.79	7.48	-40.00
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1C1=CC=CC=C1	REAL300020232200	0	45	-1.0	-44.92	366.13	7.50	-37.42
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1C1=CC=CC=C1	REAL300020232200	1	45	-1.0	-44.95	366.20	7.51	-37.44
CC1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1C1=CC=CC=C1	REAL300020232201	0	51	-1.0	-42.59	391.24	8.47	-34.12
CC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1C1=CC=CC=C1	REAL300020232201	1	51	-1.0	-42.62	391.26	8.48	-34.14
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=C(Cl)C=C1OC(F)F	REAL300020232202	0	39	-1.0	-47.78	357.16	4.99	-42.79
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=C(Cl)C=C1OC(F)F	REAL300020232202	1	39	-1.0	-47.74	357.21	5.01	-42.73
O=C(NC1=CC=C(Cl)C=C1OC(F)F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020232203	0	39	-1.0	-43.43	338.42	4.50	-38.93
O=C(NC1=CC=C(Cl)C=C1OC(F)F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020232203	1	39	-1.0	-43.49	338.47	4.52	-38.97
O=C(NC1=CC=C(Cl)C=C1OC(F)F)N1CCCC1C1=N[N-]N=N1	REAL300020232204	0	36	-1.0	-51.47	322.99	3.59	-47.88
O=C(NC1=CC=C(Cl)C=C1OC(F)F)N1CCCC1C1=NN=N[N-]1	REAL300020232204	1	36	-1.0	-51.46	323.05	3.62	-47.84
CSCC[C@H](NC(=O)NC1=CC=C(Cl)C=C1OC(F)F)C1=N[N-]N=N1	REAL300020232205	0	39	-1.0	-45.69	366.52	3.55	-42.14
CSCC[C@H](NC(=O)NC1=CC=C(Cl)C=C1OC(F)F)C1=NN=N[N-]1	REAL300020232205	1	39	-1.0	-45.70	366.57	3.57	-42.13
O=C(NC1=CC=C(Cl)C=C1OC(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020232206	0	36	-1.0	-42.79	324.37	3.65	-39.14
O=C(NC1=CC=C(Cl)C=C1OC(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020232206	1	36	-1.0	-42.82	324.45	3.66	-39.16
O=C(NC1=CC=C(Cl)C=C1OC(F)F)N1CCCCC1CC1=N[N-]N=N1	REAL300020232207	0	42	-1.0	-39.76	350.71	4.73	-35.03
O=C(NC1=CC=C(Cl)C=C1OC(F)F)N1CCCCC1CC1=NN=N[N-]1	REAL300020232207	1	42	-1.0	-39.77	350.74	4.74	-35.03
CS(=O)CC1=CC=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020232208	0	43	-1.0	-57.99	372.97	4.38	-53.61
CS(=O)CC1=CC=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020232208	1	43	-1.0	-57.98	372.91	4.36	-53.62
CS(=O)CC1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020232209	0	43	-1.0	-49.80	354.62	3.67	-46.13
CS(=O)CC1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020232209	1	43	-1.0	-49.84	354.67	3.69	-46.15
CS(=O)CC1=CC=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020232210	0	40	-1.0	-59.68	340.53	2.80	-56.88
CS(=O)CC1=CC=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020232210	1	40	-1.0	-59.70	340.59	2.83	-56.87
CSCC[C@H](NC(=O)NC1=CC=CC=C1CS(C)=O)C1=N[N-]N=N1	REAL300020232211	0	43	-1.0	-52.47	385.04	2.82	-49.65
CSCC[C@H](NC(=O)NC1=CC=CC=C1CS(C)=O)C1=NN=N[N-]1	REAL300020232211	1	43	-1.0	-52.49	385.10	2.83	-49.66
CS(=O)CC1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020232212	0	40	-1.0	-51.64	341.88	2.86	-48.78
CS(=O)CC1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020232212	1	40	-1.0	-51.65	341.95	2.87	-48.78
CS(=O)CC1=CC=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020232213	0	46	-1.0	-57.28	364.34	4.70	-52.58
CS(=O)CC1=CC=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020232213	1	46	-1.0	-57.22	364.39	4.70	-52.52
COC1=CC(C#N)=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020232214	0	40	-1.0	-43.91	352.40	4.64	-39.27
COC1=CC(C#N)=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020232214	1	40	-1.0	-43.89	352.34	4.62	-39.27
COC1=CC(C#N)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020232215	0	40	-1.0	-43.32	332.66	4.10	-39.22
COC1=CC(C#N)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020232215	1	40	-1.0	-43.33	332.72	4.12	-39.21
COC1=CC(C#N)=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020232216	0	37	-1.0	-51.01	317.25	3.19	-47.82
COC1=CC(C#N)=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020232216	1	37	-1.0	-50.99	317.30	3.22	-47.77
COC1=CC(C#N)=CC=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020232217	0	40	-1.0	-45.13	360.76	3.16	-41.97
COC1=CC(C#N)=CC=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020232217	1	40	-1.0	-45.12	360.82	3.18	-41.94
COC1=CC(C#N)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020232218	0	37	-1.0	-43.02	319.42	3.23	-39.79
COC1=CC(C#N)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020232218	1	37	-1.0	-43.04	319.50	3.24	-39.80
COC1=CC(C#N)=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020232219	0	43	-1.0	-48.03	341.06	5.11	-42.92
COC1=CC(C#N)=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020232219	1	43	-1.0	-48.05	341.12	5.11	-42.94
COC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1OC(C)C	REAL300020232220	0	49	-1.0	-43.66	401.71	5.52	-38.14
COC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1OC(C)C	REAL300020232220	1	49	-1.0	-43.69	401.66	5.50	-38.19
COC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1OC(C)C	REAL300020232221	0	49	-1.0	-45.32	383.29	5.04	-40.28
COC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1OC(C)C	REAL300020232221	1	49	-1.0	-45.30	383.34	5.06	-40.24
COC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1OC(C)C	REAL300020232222	0	46	-1.0	-55.28	367.20	4.14	-51.14
COC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1OC(C)C	REAL300020232222	1	46	-1.0	-55.24	367.25	4.16	-51.08
COC1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1OC(C)C	REAL300020232223	0	49	-1.0	-48.31	410.73	4.10	-44.21
COC1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1OC(C)C	REAL300020232223	1	49	-1.0	-48.31	410.79	4.12	-44.19
COC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1OC(C)C	REAL300020232224	0	46	-1.0	-45.13	368.62	4.16	-40.97
COC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1OC(C)C	REAL300020232224	1	46	-1.0	-45.15	368.69	4.16	-40.99
COC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1OC(C)C	REAL300020232225	0	52	-1.0	-44.93	395.49	5.18	-39.75
COC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1OC(C)C	REAL300020232225	1	52	-1.0	-44.93	395.52	5.18	-39.75
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC(Br)=N1	REAL300020232226	0	34	-1.0	-48.01	320.80	4.98	-43.03
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC(Br)=N1	REAL300020232226	1	34	-1.0	-48.03	320.74	4.95	-43.08
O=C(NC1=CC=CC(Br)=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020232227	0	34	-1.0	-42.39	298.93	3.89	-38.50
O=C(NC1=CC=CC(Br)=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020232227	1	34	-1.0	-42.38	298.87	3.87	-38.51
O=C(NC1=CC=CC(Br)=N1)N1CCCC1C1=NN=N[N-]1	REAL300020232228	0	31	-1.0	-62.29	286.28	3.60	-58.69
O=C(NC1=CC=CC(Br)=N1)N1CCCC1C1=N[N-]N=N1	REAL300020232228	1	31	-1.0	-62.27	286.22	3.58	-58.69
CSCC[C@H](NC(=O)NC1=CC=CC(Br)=N1)C1=NN=N[N-]1	REAL300020232229	0	34	-1.0	-54.35	329.80	3.56	-50.79
CSCC[C@H](NC(=O)NC1=CC=CC(Br)=N1)C1=N[N-]N=N1	REAL300020232229	1	34	-1.0	-54.35	329.74	3.55	-50.80
O=C(NC1=CC=CC(Br)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020232230	0	31	-1.0	-51.37	287.65	3.65	-47.72
O=C(NC1=CC=CC(Br)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020232230	1	31	-1.0	-51.38	287.58	3.63	-47.75
O=C(NC1=CC=CC(Br)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020232231	0	37	-1.0	-56.21	309.78	5.37	-50.84
O=C(NC1=CC=CC(Br)=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020232231	1	37	-1.0	-56.17	309.72	5.37	-50.80
CC1=NC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC=C1Br	REAL300020232232	0	37	-1.0	-47.75	338.75	5.61	-42.14
CC1=NC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC=C1Br	REAL300020232232	1	37	-1.0	-47.74	338.81	5.63	-42.11
CC1=NC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1Br	REAL300020232233	0	37	-1.0	-41.34	317.08	4.50	-36.84
CC1=NC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1Br	REAL300020232233	1	37	-1.0	-41.37	317.14	4.51	-36.86
CC1=NC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1Br	REAL300020232234	0	34	-1.0	-58.04	304.46	4.20	-53.84
CC1=NC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1Br	REAL300020232234	1	34	-1.0	-58.03	304.52	4.22	-53.81
CSCC[C@H](NC(=O)NC1=CC=C(Br)C(C)=N1)C1=N[N-]N=N1	REAL300020232235	0	37	-1.0	-50.63	347.99	4.15	-46.48
CSCC[C@H](NC(=O)NC1=CC=C(Br)C(C)=N1)C1=NN=N[N-]1	REAL300020232235	1	37	-1.0	-50.62	348.05	4.17	-46.45
CC1=NC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1Br	REAL300020232236	0	34	-1.0	-47.72	305.82	4.25	-43.47
CC1=NC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1Br	REAL300020232236	1	34	-1.0	-47.72	305.90	4.26	-43.46
CC1=NC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1Br	REAL300020232237	0	40	-1.0	-41.55	332.80	4.69	-36.86
CC1=NC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1Br	REAL300020232237	1	40	-1.0	-41.56	332.85	4.71	-36.85
CC1=CC(C)=NC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020232238	0	40	-1.0	-60.03	342.44	5.75	-54.28
CC1=CC(C)=NC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020232238	1	40	-1.0	-60.03	342.38	5.73	-54.30
CC1=CC(C)=NC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020232239	0	40	-1.0	-48.51	323.25	5.25	-43.26
CC1=CC(C)=NC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020232239	1	40	-1.0	-48.53	323.30	5.26	-43.27
CSCC[C@H](NC(=O)NC1=CC(C)=CC(C)=N1)C1=N[N-]N=N1	REAL300020232240	0	40	-1.0	-53.17	351.38	4.31	-48.86
CSCC[C@H](NC(=O)NC1=CC(C)=CC(C)=N1)C1=NN=N[N-]1	REAL300020232240	1	40	-1.0	-53.14	351.44	4.33	-48.81
CC1=CC(C)=NC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020232241	0	43	-1.0	-48.03	326.41	5.59	-42.44
CC1=CC(C)=NC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020232241	1	43	-1.0	-48.02	326.45	5.60	-42.42
O=C([N-]C1=NC(C2=CC=CC=C2)=NO1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020232242	0	39	-2.0	-92.65	352.65	3.16	-89.49
O=C([N-]C1=NC(C2=CC=CC=C2)=NO1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020232242	1	39	-2.0	-92.63	352.60	3.13	-89.50
O=C([N-]C1=NC(C2=CC=CC=C2)=NO1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020232243	0	39	-2.0	-95.57	335.67	3.27	-92.30
O=C([N-]C1=NC(C2=CC=CC=C2)=NO1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020232243	1	39	-2.0	-95.54	335.61	3.26	-92.28
O=C(NC1=NC(C2=CC=CC=C2)=NO1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020232243	1	40	-1.0	-45.77	336.71	4.57	-41.20
O=C(NC1=NC(C2=CC=CC=C2)=NO1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020232243	1	40	-1.0	-45.79	336.65	4.56	-41.23
O=C([N-]C1=NC(C2=CC=CC=C2)=NO1)N1CCCC1C1=N[N-]N=N1	REAL300020232244	0	36	-2.0	-117.73	319.81	2.05	-115.68
O=C([N-]C1=NC(C2=CC=CC=C2)=NO1)N1CCCC1C1=NN=N[N-]1	REAL300020232244	1	36	-2.0	-117.72	319.87	2.07	-115.65
O=C(NC1=NC(C2=CC=CC=C2)=NO1)N1CCCC1C1=N[N-]N=N1	REAL300020232244	1	37	-1.0	-55.28	321.23	3.64	-51.64
O=C(NC1=NC(C2=CC=CC=C2)=NO1)N1CCCC1C1=NN=N[N-]1	REAL300020232244	1	37	-1.0	-55.28	321.29	3.66	-51.62
CSCC[C@H](NC(=O)[N-]C1=NC(C2=CC=CC=C2)=NO1)C1=N[N-]N=N1	REAL300020232245	0	39	-2.0	-107.25	361.58	1.80	-105.45
CSCC[C@H](NC(=O)[N-]C1=NC(C2=CC=CC=C2)=NO1)C1=NN=N[N-]1	REAL300020232245	1	39	-2.0	-107.23	361.64	1.81	-105.42
CSCC[C@H](NC(=O)NC1=NC(C2=CC=CC=C2)=NO1)C1=NN=N[N-]1	REAL300020232245	1	40	-1.0	-48.23	364.89	3.62	-44.61
CSCC[C@H](NC(=O)NC1=NC(C2=CC=CC=C2)=NO1)C1=N[N-]N=N1	REAL300020232245	1	40	-1.0	-48.22	364.83	3.61	-44.61
O=C([N-]C1=NC(C2=CC=CC=C2)=NO1)N1CCC(C2=NN=N[N-]2)C1	REAL300020232246	0	36	-2.0	-95.71	320.64	2.14	-93.57
O=C([N-]C1=NC(C2=CC=CC=C2)=NO1)N1CCC(C2=N[N-]N=N2)C1	REAL300020232246	1	36	-2.0	-95.66	320.56	2.12	-93.54
O=C(NC1=NC(C2=CC=CC=C2)=NO1)N1CCC(C2=NN=N[N-]2)C1	REAL300020232246	1	37	-1.0	-45.30	322.76	3.73	-41.57
O=C(NC1=NC(C2=CC=CC=C2)=NO1)N1CCC(C2=N[N-]N=N2)C1	REAL300020232246	1	37	-1.0	-45.27	322.68	3.72	-41.55
O=C([N-]C1=NC(C2=CC=CC=C2)=NO1)N1CCCCC1CC1=NN=N[N-]1	REAL300020232247	0	42	-2.0	-101.82	348.93	3.70	-98.12
O=C([N-]C1=NC(C2=CC=CC=C2)=NO1)N1CCCCC1CC1=N[N-]N=N1	REAL300020232247	1	42	-2.0	-101.88	348.87	3.67	-98.21
O=C(NC1=NC(C2=CC=CC=C2)=NO1)N1CCCCC1CC1=NN=N[N-]1	REAL300020232247	1	43	-1.0	-53.82	344.94	5.10	-48.72
O=C(NC1=NC(C2=CC=CC=C2)=NO1)N1CCCCC1CC1=N[N-]N=N1	REAL300020232247	1	43	-1.0	-53.82	344.89	5.10	-48.72
COC1=CC=C(C)N=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020232248	0	41	-1.0	-46.96	349.49	4.50	-42.46
COC1=CC=C(C)N=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020232248	1	41	-1.0	-46.96	349.43	4.48	-42.48
COC1=CC=C(C)N=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020232249	0	41	-1.0	-48.98	330.23	4.00	-44.98
COC1=CC=C(C)N=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020232249	1	41	-1.0	-49.01	330.28	4.02	-44.99
COC1=CC=C(C)N=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020232250	0	38	-1.0	-61.25	314.78	3.11	-58.14
COC1=CC=C(C)N=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020232250	1	38	-1.0	-61.26	314.84	3.12	-58.14
COC1=CC=C(C)N=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020232251	0	41	-1.0	-53.51	358.41	3.06	-50.45
COC1=CC=C(C)N=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020232251	1	41	-1.0	-53.54	358.47	3.08	-50.46
COC1=CC=C(C)N=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020232252	0	38	-1.0	-49.51	316.25	3.17	-46.34
COC1=CC=C(C)N=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020232252	1	38	-1.0	-49.50	316.32	3.18	-46.32
COC1=CC=C(C)N=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020232253	0	44	-1.0	-55.62	338.72	4.89	-50.73
COC1=CC=C(C)N=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020232253	1	44	-1.0	-55.61	338.78	4.91	-50.70
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC(OCC(F)F)=N1	REAL300020232254	0	41	-1.0	-46.96	366.40	4.50	-42.46
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC(OCC(F)F)=N1	REAL300020232254	1	41	-1.0	-46.97	366.34	4.48	-42.49
O=C(NC1=CC=CC(OCC(F)F)=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020232255	0	41	-1.0	-44.97	344.54	3.12	-41.85
O=C(NC1=CC=CC(OCC(F)F)=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020232255	1	41	-1.0	-44.95	344.48	3.10	-41.85
O=C(NC1=CC=CC(OCC(F)F)=N1)N1CCCC1C1=NN=N[N-]1	REAL300020232256	0	38	-1.0	-58.05	331.87	3.13	-54.92
O=C(NC1=CC=CC(OCC(F)F)=N1)N1CCCC1C1=N[N-]N=N1	REAL300020232256	1	38	-1.0	-58.01	331.81	3.11	-54.90
CSCC[C@H](NC(=O)NC1=CC=CC(OCC(F)F)=N1)C1=NN=N[N-]1	REAL300020232257	0	41	-1.0	-51.33	375.40	3.08	-48.25
CSCC[C@H](NC(=O)NC1=CC=CC(OCC(F)F)=N1)C1=N[N-]N=N1	REAL300020232257	1	41	-1.0	-51.32	375.34	3.06	-48.26
O=C(NC1=CC=CC(OCC(F)F)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020232258	0	38	-1.0	-49.12	333.25	3.17	-45.95
O=C(NC1=CC=CC(OCC(F)F)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020232258	1	38	-1.0	-49.09	333.17	3.16	-45.93
O=C(NC1=CC=CC(OCC(F)F)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020232259	0	44	-1.0	-52.25	355.22	4.90	-47.35
O=C(NC1=CC=CC(OCC(F)F)=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020232259	1	44	-1.0	-52.22	355.20	4.88	-47.34
CCOC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C2=NC=CC=C12	REAL300020232260	0	47	-1.0	-54.48	392.66	5.66	-48.82
CCOC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C2=NC=CC=C12	REAL300020232260	1	47	-1.0	-54.50	392.60	5.63	-48.87
CCOC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C2=NC=CC=C12	REAL300020232261	0	47	-1.0	-45.38	373.28	5.19	-40.19
CCOC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C2=NC=CC=C12	REAL300020232261	1	47	-1.0	-45.31	373.23	5.17	-40.14
CCOC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C2=NC=CC=C12	REAL300020232262	0	44	-1.0	-56.17	358.55	4.24	-51.93
CCOC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C2=NC=CC=C12	REAL300020232262	1	44	-1.0	-56.16	358.49	4.23	-51.93
CCOC1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C2=NC=CC=C12	REAL300020232263	0	47	-1.0	-49.62	402.07	4.20	-45.42
CCOC1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C2=NC=CC=C12	REAL300020232263	1	47	-1.0	-49.62	402.01	4.19	-45.43
CCOC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C2=NC=CC=C12	REAL300020232264	0	44	-1.0	-45.45	359.95	4.28	-41.17
CCOC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C2=NC=CC=C12	REAL300020232264	1	44	-1.0	-45.46	359.87	4.26	-41.20
CCOC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C2=NC=CC=C12	REAL300020232265	0	50	-1.0	-46.94	385.96	5.46	-41.48
CCOC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C2=NC=CC=C12	REAL300020232265	1	50	-1.0	-46.93	385.92	5.45	-41.48
CCOC1=C(Cl)C=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1Cl	REAL300020232269	0	42	-1.0	-42.37	371.53	5.75	-36.62
CCOC1=C(Cl)C=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1Cl	REAL300020232269	1	42	-1.0	-42.37	371.59	5.76	-36.61
CCOC1=C(Cl)C=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1Cl	REAL300020232270	0	39	-1.0	-51.51	355.69	4.87	-46.64
CCOC1=C(Cl)C=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1Cl	REAL300020232270	1	39	-1.0	-51.51	355.75	4.89	-46.62
CCOC1=C(Cl)C=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1Cl	REAL300020232271	0	39	-1.0	-43.08	357.21	4.91	-38.17
CCOC1=C(Cl)C=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020232271	1	39	-1.0	-43.05	357.28	4.93	-38.12
CCOC1=C(Cl)C=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1Cl	REAL300020232272	0	45	-1.0	-48.92	379.36	6.75	-42.17
CCOC1=C(Cl)C=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1Cl	REAL300020232272	1	45	-1.0	-48.92	379.41	6.76	-42.16
COC1=CC(C)=C(Br)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020232273	0	42	-1.0	-44.68	350.97	4.91	-39.77
COC1=CC(C)=C(Br)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020232273	1	42	-1.0	-44.68	351.03	4.92	-39.76
COC1=CC(C)=C(Br)C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020232274	0	39	-1.0	-54.60	335.95	3.97	-50.63
COC1=CC(C)=C(Br)C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020232274	1	39	-1.0	-54.60	336.01	3.99	-50.61
COC1=CC(C)=C(Br)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020232275	0	39	-1.0	-44.79	337.30	4.03	-40.76
COC1=CC(C)=C(Br)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020232275	1	39	-1.0	-44.79	337.38	4.04	-40.75
COC1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC=C1OC(C)C	REAL300020232276	0	49	-1.0	-43.81	401.63	5.52	-38.29
COC1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC=C1OC(C)C	REAL300020232276	1	49	-1.0	-43.80	401.58	5.49	-38.31
COC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1OC(C)C	REAL300020232277	0	49	-1.0	-45.33	382.64	5.00	-40.33
COC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1OC(C)C	REAL300020232277	1	49	-1.0	-45.34	382.70	5.02	-40.32
COC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1OC(C)C	REAL300020232278	0	46	-1.0	-54.05	367.31	4.10	-49.95
COC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1OC(C)C	REAL300020232278	1	46	-1.0	-54.12	367.36	4.12	-50.00
COC1=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CC=C1OC(C)C	REAL300020232279	0	49	-1.0	-48.59	410.73	4.10	-44.49
COC1=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CC=C1OC(C)C	REAL300020232279	1	49	-1.0	-48.60	410.79	4.12	-44.48
COC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1OC(C)C	REAL300020232280	0	46	-1.0	-45.40	368.70	4.15	-41.25
COC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1OC(C)C	REAL300020232280	1	46	-1.0	-45.35	368.78	4.15	-41.20
COC1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1OC(C)C	REAL300020232281	0	52	-1.0	-43.16	395.00	5.17	-37.99
COC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1OC(C)C	REAL300020232281	1	52	-1.0	-43.16	395.04	5.19	-37.97
CC1=CC=CC(Cl)=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020232282	0	38	-1.0	-46.59	336.18	6.16	-40.43
CC1=CC=CC(Cl)=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020232282	1	38	-1.0	-46.58	336.13	6.13	-40.45
CC1=CC=CC(Cl)=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020232283	0	38	-1.0	-43.46	316.53	5.61	-37.85
CC1=CC=CC(Cl)=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020232283	1	38	-1.0	-43.46	316.59	5.63	-37.83
CC1=CC=CC(Cl)=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020232284	0	35	-1.0	-55.95	308.14	4.92	-51.03
CC1=CC=CC(Cl)=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020232284	1	35	-1.0	-55.93	308.20	4.93	-51.00
CSCC[C@H](NC(=O)NC1=C(C)C=CC=C1Cl)C1=N[N-]N=N1	REAL300020232285	0	38	-1.0	-46.79	351.67	4.87	-41.92
CSCC[C@H](NC(=O)NC1=C(C)C=CC=C1Cl)C1=NN=N[N-]1	REAL300020232285	1	38	-1.0	-46.83	351.73	4.89	-41.94
CC1=CC=CC(Cl)=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020232286	0	35	-1.0	-44.70	309.52	4.98	-39.72
CC1=CC=CC(Cl)=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020232286	1	35	-1.0	-44.68	309.59	4.98	-39.70
CC1=CC=CC(Cl)=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020232287	0	41	-1.0	-42.29	321.19	4.99	-37.30
CC1=CC=CC(Cl)=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020232287	1	41	-1.0	-42.28	321.24	5.00	-37.28
CC1=CN=CC([N+](=O)[O-])=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020232288	0	39	-1.0	-42.21	340.92	4.69	-37.52
CC1=CN=CC([N+](=O)[O-])=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020232288	1	39	-1.0	-42.22	340.86	4.67	-37.55
CC1=CN=CC([N+](=O)[O-])=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020232289	0	39	-1.0	-45.95	321.89	4.17	-41.78
CC1=CN=CC([N+](=O)[O-])=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020232289	1	39	-1.0	-45.94	321.83	4.15	-41.79
CC1=CN=CC([N+](=O)[O-])=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020232290	0	36	-1.0	-46.81	304.95	3.05	-43.76
CC1=CN=CC([N+](=O)[O-])=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020232290	1	36	-1.0	-46.77	304.89	3.04	-43.73
CSCC[C@H](NC(=O)NC1=C(C)C=NC=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL300020232291	0	39	-1.0	-47.60	349.10	3.04	-44.56
CSCC[C@H](NC(=O)NC1=C(C)C=NC=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL300020232291	1	39	-1.0	-47.59	349.04	3.02	-44.57
CC1=CN=CC([N+](=O)[O-])=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020232292	0	36	-1.0	-41.51	306.39	3.10	-38.41
CC1=CN=CC([N+](=O)[O-])=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020232292	1	36	-1.0	-41.46	306.31	3.08	-38.38
CC1=CN=CC([N+](=O)[O-])=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020232293	0	42	-1.0	-47.63	322.23	3.66	-43.97
CC1=CN=CC([N+](=O)[O-])=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020232293	1	42	-1.0	-47.62	322.17	3.66	-43.96
COC1=CC2=C(C=C1NC(=O)NC1=CC=CC(CC3=NN=N[N-]3)=C1)NC(=O)CC2	REAL300020232294	0	47	-1.0	-54.34	391.51	3.40	-50.94
COC1=CC2=C(C=C1NC(=O)NC1=CC=CC(CC3=N[N-]N=N3)=C1)NC(=O)CC2	REAL300020232294	1	47	-1.0	-54.37	391.46	3.37	-51.00
COC1=CC2=C(C=C1NC(=O)N1CCC(C3=N[N-]N=N3)CC1)NC(=O)CC2	REAL300020232295	0	47	-1.0	-49.47	372.86	2.86	-46.61
COC1=CC2=C(C=C1NC(=O)N1CCC(C3=NN=N[N-]3)CC1)NC(=O)CC2	REAL300020232295	1	47	-1.0	-49.46	372.92	2.87	-46.59
COC1=CC2=C(C=C1NC(=O)N1CCCC1C1=N[N-]N=N1)NC(=O)CC2	REAL300020232296	0	44	-1.0	-59.15	356.31	1.98	-57.17
COC1=CC2=C(C=C1NC(=O)N1CCCC1C1=NN=N[N-]1)NC(=O)CC2	REAL300020232296	1	44	-1.0	-59.19	356.37	2.00	-57.19
COC1=CC2=C(C=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1)NC(=O)CC2	REAL300020232297	0	47	-1.0	-54.22	399.84	1.94	-52.28
COC1=CC2=C(C=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1)NC(=O)CC2	REAL300020232297	1	47	-1.0	-54.19	399.90	1.96	-52.23
COC1=CC2=C(C=C1NC(=O)N1CCC(C3=N[N-]N=N3)C1)NC(=O)CC2	REAL300020232298	0	44	-1.0	-49.43	357.71	2.03	-47.40
COC1=CC2=C(C=C1NC(=O)N1CCC(C3=NN=N[N-]3)C1)NC(=O)CC2	REAL300020232298	1	44	-1.0	-49.41	357.78	2.04	-47.37
COC1=CC2=C(C=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1)NC(=O)CC2	REAL300020232299	0	50	-1.0	-47.22	386.47	3.06	-44.16
COC1=CC2=C(C=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1)NC(=O)CC2	REAL300020232299	1	50	-1.0	-47.27	386.52	3.08	-44.19
O=C(NC1=CC=C(CN2C(=O)CCCC2=O)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020232300	0	51	-1.0	-50.87	403.42	6.08	-44.79
O=C(NC1=CC=C(CN2C(=O)CCCC2=O)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020232300	1	51	-1.0	-50.89	403.47	6.10	-44.79
O=C(NC1=CC=C(CN2C(=O)CCCC2=O)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020232301	0	48	-1.0	-61.04	389.32	5.12	-55.92
O=C(NC1=CC=C(CN2C(=O)CCCC2=O)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020232301	1	48	-1.0	-61.01	389.38	5.13	-55.88
O=C(NC1=CC=C(CN2C(=O)CCCC2=O)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020232302	0	48	-1.0	-50.98	390.68	5.18	-45.80
O=C(NC1=CC=C(CN2C(=O)CCCC2=O)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020232302	1	48	-1.0	-51.01	390.76	5.18	-45.83
CCCC1=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=NN1C1=CC(C)=CC=N1	REAL300020232303	0	53	-1.0	-47.48	419.07	7.92	-39.56
CCCC1=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=NN1C1=CC(C)=CC=N1	REAL300020232303	1	53	-1.0	-47.59	419.13	7.93	-39.66
CCCC1=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=NN1C1=CC(C)=CC=N1	REAL300020232304	0	50	-1.0	-58.75	403.63	7.00	-51.75
CCCC1=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=NN1C1=CC(C)=CC=N1	REAL300020232304	1	50	-1.0	-58.74	403.69	7.03	-51.71
CCCC1=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=NN1C1=CC(C)=CC=N1	REAL300020232305	0	50	-1.0	-47.48	405.09	7.04	-40.44
CCCC1=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=NN1C1=CC(C)=CC=N1	REAL300020232305	1	50	-1.0	-47.47	405.16	7.06	-40.41
CC1=CC(Br)=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1Cl	REAL300020232306	0	38	-1.0	-41.78	338.78	6.15	-35.63
CC1=CC(Br)=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1Cl	REAL300020232306	1	38	-1.0	-41.77	338.84	6.17	-35.60
CC1=CC(Br)=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1Cl	REAL300020232307	0	35	-1.0	-50.57	322.12	5.23	-45.34
CC1=CC(Br)=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1Cl	REAL300020232307	1	35	-1.0	-50.59	322.18	5.25	-45.34
CC1=CC(Br)=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1Cl	REAL300020232308	0	35	-1.0	-41.65	324.42	5.30	-36.35
CC1=CC(Br)=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020232308	1	35	-1.0	-41.64	324.50	5.31	-36.33
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=NC=C1N1CCOCC1	REAL300020232309	0	47	-1.0	-50.83	384.98	2.29	-48.54
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=NC=C1N1CCOCC1	REAL300020232309	1	47	-1.0	-50.83	384.92	2.26	-48.57
O=C(NC1=CC=NC=C1N1CCOCC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020232310	0	47	-1.0	-41.53	364.37	1.89	-39.64
O=C(NC1=CC=NC=C1N1CCOCC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020232310	1	47	-1.0	-41.54	364.42	1.90	-39.64
O=C(NC1=CC=NC=C1N1CCOCC1)N1CCCC1C1=N[N-]N=N1	REAL300020232311	0	44	-1.0	-51.18	350.67	0.88	-50.30
O=C(NC1=CC=NC=C1N1CCOCC1)N1CCCC1C1=NN=N[N-]1	REAL300020232311	1	44	-1.0	-51.24	350.73	0.89	-50.35
CSCC[C@H](NC(=O)NC1=CC=NC=C1N1CCOCC1)C1=N[N-]N=N1	REAL300020232312	0	47	-1.0	-44.68	393.47	0.88	-43.80
CSCC[C@H](NC(=O)NC1=CC=NC=C1N1CCOCC1)C1=NN=N[N-]1	REAL300020232312	1	47	-1.0	-44.70	393.53	0.89	-43.81
O=C(NC1=CC=NC=C1N1CCOCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020232313	0	44	-1.0	-41.83	351.31	0.97	-40.86
O=C(NC1=CC=NC=C1N1CCOCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020232313	1	44	-1.0	-41.85	351.38	0.99	-40.86
O=C(NC1=CC=NC=C1N1CCOCC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020232314	0	50	-1.0	-47.22	373.48	2.71	-44.51
O=C(NC1=CC=NC=C1N1CCOCC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020232314	1	50	-1.0	-47.27	373.54	2.72	-44.55
CC1=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)N(C)N=C1C(F)(F)F	REAL300020232315	0	41	-1.0	-42.62	361.69	4.67	-37.95
CC1=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)N(C)N=C1C(F)(F)F	REAL300020232315	1	41	-1.0	-42.64	361.64	4.64	-38.00
CC1=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)N(C)N=C1C(F)(F)F	REAL300020232316	0	41	-1.0	-42.22	344.06	4.27	-37.95
CC1=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)N(C)N=C1C(F)(F)F	REAL300020232316	1	41	-1.0	-42.18	344.00	4.25	-37.93
CC1=C(NC(=O)N2CCCC2C2=NN=N[N-]2)N(C)N=C1C(F)(F)F	REAL300020232317	0	38	-1.0	-48.68	323.34	3.25	-45.43
CC1=C(NC(=O)N2CCCC2C2=N[N-]N=N2)N(C)N=C1C(F)(F)F	REAL300020232317	1	38	-1.0	-48.66	323.28	3.22	-45.44
CSCC[C@H](NC(=O)NC1=C(C)C(C(F)(F)F)=NN1C)C1=NN=N[N-]1	REAL300020232318	0	41	-1.0	-44.92	370.89	3.19	-41.73
CSCC[C@H](NC(=O)NC1=C(C)C(C(F)(F)F)=NN1C)C1=N[N-]N=N1	REAL300020232318	1	41	-1.0	-44.94	370.83	3.17	-41.77
CC1=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)N(C)N=C1C(F)(F)F	REAL300020232319	0	38	-1.0	-41.13	326.87	3.36	-37.77
CC1=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)N(C)N=C1C(F)(F)F	REAL300020232319	1	38	-1.0	-41.17	326.80	3.35	-37.82
CC1=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)N(C)N=C1C(F)(F)F	REAL300020232320	0	44	-1.0	-36.41	354.15	5.08	-31.33
CC1=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)N(C)N=C1C(F)(F)F	REAL300020232320	1	44	-1.0	-36.43	354.06	5.06	-31.37
CC1=CC=CC=C1C1=NN(C)C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020232321	0	48	-1.0	-45.07	398.24	7.92	-37.15
CC1=CC=CC=C1C1=NN(C)C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020232321	1	48	-1.0	-45.04	398.18	7.89	-37.15
CC1=CC=CC=C1C1=NN(C)C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020232322	0	48	-1.0	-47.01	378.99	7.42	-39.59
CC1=CC=CC=C1C1=NN(C)C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020232322	1	48	-1.0	-47.00	379.04	7.43	-39.57
CC1=CC=CC=C1C1=NN(C)C(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020232323	0	45	-1.0	-57.87	363.53	6.52	-51.35
CC1=CC=CC=C1C1=NN(C)C(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020232323	1	45	-1.0	-57.89	363.59	6.52	-51.37
CSCC[C@H](NC(=O)NC1=CC(C2=CC=CC=C2C)=NN1C)C1=N[N-]N=N1	REAL300020232324	0	48	-1.0	-50.48	407.63	6.46	-44.02
CSCC[C@H](NC(=O)NC1=CC(C2=CC=CC=C2C)=NN1C)C1=NN=N[N-]1	REAL300020232324	1	48	-1.0	-50.48	407.68	6.48	-44.00
CC1=CC=CC=C1C1=NN(C)C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020232325	0	45	-1.0	-47.02	365.03	6.58	-40.44
CC1=CC=CC=C1C1=NN(C)C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020232325	1	45	-1.0	-47.04	365.11	6.59	-40.45
CC1=CC=CC=C1C1=NN(C)C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020232326	0	51	-1.0	-54.93	387.02	8.30	-46.63
CC1=CC=CC=C1C1=NN(C)C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020232326	1	51	-1.0	-54.95	387.06	8.32	-46.63
CC1=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C2=CC=CC=C2C(Cl)=C1	REAL300020232327	0	44	-1.0	-48.16	379.33	8.25	-39.91
CC1=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C2=CC=CC=C2C(Cl)=C1	REAL300020232327	1	44	-1.0	-48.12	379.27	8.23	-39.89
CC1=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C2=CC=CC=C2C(Cl)=C1	REAL300020232328	0	44	-1.0	-43.60	363.52	7.89	-35.71
CC1=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C2=CC=CC=C2C(Cl)=C1	REAL300020232328	1	44	-1.0	-43.63	363.58	7.91	-35.72
CC1=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C2=CC=CC=C2C(Cl)=C1	REAL300020232329	0	41	-1.0	-53.24	351.43	7.12	-46.12
CC1=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C2=CC=CC=C2C(Cl)=C1	REAL300020232329	1	41	-1.0	-53.26	351.49	7.14	-46.12
CSCC[C@H](NC(=O)NC1=C(C)C=C(Cl)C2=CC=CC=C21)C1=N[N-]N=N1	REAL300020232330	0	44	-1.0	-45.88	389.29	6.79	-39.09
CSCC[C@H](NC(=O)NC1=C(C)C=C(Cl)C2=CC=CC=C21)C1=NN=N[N-]1	REAL300020232330	1	44	-1.0	-45.85	389.35	6.80	-39.05
CC1=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C2=CC=CC=C2C(Cl)=C1	REAL300020232331	0	41	-1.0	-43.13	345.48	6.70	-36.43
CC1=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C2=CC=CC=C2C(Cl)=C1	REAL300020232331	1	41	-1.0	-43.14	345.55	6.72	-36.42
CC1=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C2=CC=CC=C2C(Cl)=C1	REAL300020232332	0	47	-1.0	-47.97	358.24	7.72	-40.25
CC1=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C2=CC=CC=C2C(Cl)=C1	REAL300020232332	1	47	-1.0	-47.95	358.27	7.72	-40.23
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC(F)=N1	REAL300020232333	0	34	-1.0	-49.93	305.76	4.44	-45.49
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC(F)=N1	REAL300020232333	1	34	-1.0	-49.98	305.70	4.41	-45.57
CSCC[C@H](NC(=O)NC1=CC=CC(F)=N1)C1=NN=N[N-]1	REAL300020232334	0	34	-1.0	-56.82	314.76	3.01	-53.81
CSCC[C@H](NC(=O)NC1=CC=CC(F)=N1)C1=N[N-]N=N1	REAL300020232334	1	34	-1.0	-56.82	314.70	3.00	-53.82
O=C(NC1=CC=CC(F)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020232335	0	37	-1.0	-59.66	294.74	4.83	-54.83
O=C(NC1=CC=CC(F)=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020232335	1	37	-1.0	-59.67	294.68	4.83	-54.84
CCC(C)(C)OCC1=CC=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020232336	0	54	-1.0	-47.78	425.76	7.58	-40.20
CCC(C)(C)OCC1=CC=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020232336	1	54	-1.0	-47.82	425.82	7.61	-40.21
CCC(C)(C)OCC1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020232337	0	54	-1.0	-42.40	406.23	7.12	-35.28
CCC(C)(C)OCC1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020232337	1	54	-1.0	-42.42	406.29	7.13	-35.29
CCC(C)(C)OCC1=CC=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020232338	0	51	-1.0	-53.97	392.43	6.22	-47.75
CCC(C)(C)OCC1=CC=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020232338	1	51	-1.0	-53.97	392.49	6.25	-47.72
CCC(C)(C)OCC1=CC=CC=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020232339	0	54	-1.0	-46.71	435.13	6.17	-40.54
CCC(C)(C)OCC1=CC=CC=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020232339	1	54	-1.0	-46.70	435.18	6.18	-40.52
CCC(C)(C)OCC1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020232340	0	51	-1.0	-43.04	393.81	6.28	-36.76
CCC(C)(C)OCC1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020232340	1	51	-1.0	-43.02	393.88	6.29	-36.73
CCC(C)(C)OCC1=CC=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020232341	0	57	-1.0	-49.69	415.41	8.10	-41.59
CCC(C)(C)OCC1=CC=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020232341	1	57	-1.0	-49.71	415.46	8.11	-41.60
O=C(NC1=CN=C(Cl)C(Br)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020232342	0	34	-1.0	-42.76	315.54	3.52	-39.24
O=C(NC1=CN=C(Cl)C(Br)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020232342	1	34	-1.0	-42.75	315.49	3.50	-39.25
O=C(NC1=CN=C(Cl)C(Br)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020232343	0	31	-1.0	-49.86	300.03	2.61	-47.25
O=C(NC1=CN=C(Cl)C(Br)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020232343	1	31	-1.0	-49.85	299.97	2.59	-47.26
O=C(NC1=CN=C(Cl)C(Br)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020232344	0	31	-1.0	-42.76	301.15	2.68	-40.08
O=C(NC1=CN=C(Cl)C(Br)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020232344	1	31	-1.0	-42.73	301.07	2.66	-40.07
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC(C1CCCC1)C(F)(F)F	REAL300020232345	0	44	-1.0	-43.94	361.95	5.78	-38.16
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC(C1CCCC1)C(F)(F)F	REAL300020232345	1	44	-1.0	-43.92	362.00	5.81	-38.11
O=C(NC(C1CCCC1)C(F)(F)F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020232346	0	44	-1.0	-43.41	346.47	5.24	-38.17
O=C(NC(C1CCCC1)C(F)(F)F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020232346	1	44	-1.0	-43.46	346.52	5.26	-38.20
O=C(NC(C1CCCC1)C(F)(F)F)N1CCCC1C1=N[N-]N=N1	REAL300020232347	0	41	-1.0	-54.09	331.53	4.12	-49.97
O=C(NC(C1CCCC1)C(F)(F)F)N1CCCC1C1=NN=N[N-]1	REAL300020232347	1	41	-1.0	-54.12	331.59	4.13	-49.99
CSCC[C@H](NC(=O)NC(C1CCCC1)C(F)(F)F)C1=N[N-]N=N1	REAL300020232348	0	44	-1.0	-47.53	375.49	4.07	-43.46
CSCC[C@H](NC(=O)NC(C1CCCC1)C(F)(F)F)C1=NN=N[N-]1	REAL300020232348	1	44	-1.0	-47.54	375.55	4.08	-43.46
O=C(NC(C1CCCC1)C(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020232349	0	41	-1.0	-43.14	333.38	4.27	-38.87
O=C(NC(C1CCCC1)C(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020232349	1	41	-1.0	-43.18	333.45	4.28	-38.90
O=C(NC(C1CCCC1)C(F)(F)F)N1CCCCC1CC1=N[N-]N=N1	REAL300020232350	0	47	-1.0	-49.83	346.08	6.47	-43.36
O=C(NC(C1CCCC1)C(F)(F)F)N1CCCCC1CC1=NN=N[N-]1	REAL300020232350	1	47	-1.0	-49.82	346.10	6.47	-43.35
CC(C)(C)CC(NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)C(F)(F)F	REAL300020232351	0	46	-1.0	-41.19	376.26	6.31	-34.88
CC(C)(C)CC(NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)C(F)(F)F	REAL300020232351	1	46	-1.0	-41.17	376.31	6.34	-34.83
CC(C)(C)CC(NC(=O)N1CCC(C2=N[N-]N=N2)CC1)C(F)(F)F	REAL300020232352	0	46	-1.0	-43.55	356.23	5.87	-37.68
CC(C)(C)CC(NC(=O)N1CCC(C2=NN=N[N-]2)CC1)C(F)(F)F	REAL300020232352	1	46	-1.0	-43.59	356.29	5.88	-37.71
CC(C)(C)CC(NC(=O)N1CCCC1C1=N[N-]N=N1)C(F)(F)F	REAL300020232353	0	43	-1.0	-53.92	341.77	4.94	-48.98
CC(C)(C)CC(NC(=O)N1CCCC1C1=NN=N[N-]1)C(F)(F)F	REAL300020232353	1	43	-1.0	-53.96	341.83	4.96	-49.00
CSCC[C@H](NC(=O)NC(CC(C)(C)C)C(F)(F)F)C1=N[N-]N=N1	REAL300020232354	0	46	-1.0	-45.32	385.38	4.89	-40.43
CSCC[C@H](NC(=O)NC(CC(C)(C)C)C(F)(F)F)C1=NN=N[N-]1	REAL300020232354	1	46	-1.0	-45.32	385.44	4.91	-40.41
CC(C)(C)CC(NC(=O)N1CCC(C2=N[N-]N=N2)C1)C(F)(F)F	REAL300020232355	0	43	-1.0	-43.22	343.22	5.00	-38.22
CC(C)(C)CC(NC(=O)N1CCC(C2=NN=N[N-]2)C1)C(F)(F)F	REAL300020232355	1	43	-1.0	-43.15	343.29	5.00	-38.15
CC(C)(C)CC(NC(=O)N1CCCCC1CC1=N[N-]N=N1)C(F)(F)F	REAL300020232356	0	49	-1.0	-49.74	358.51	6.80	-42.94
CC(C)(C)CC(NC(=O)N1CCCCC1CC1=NN=N[N-]1)C(F)(F)F	REAL300020232356	1	49	-1.0	-49.71	358.55	6.79	-42.92
O=C(NC(CCC1=CC=CC=C1)C(F)(F)F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020232357	0	47	-1.0	-45.14	387.47	7.29	-37.85
O=C(NC(CCC1=CC=CC=C1)C(F)(F)F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020232357	1	47	-1.0	-45.15	387.53	7.31	-37.84
O=C(NC(CCC1=CC=CC=C1)C(F)(F)F)N1CCCC1C1=N[N-]N=N1	REAL300020232358	0	44	-1.0	-54.54	372.32	6.31	-48.23
O=C(NC(CCC1=CC=CC=C1)C(F)(F)F)N1CCCC1C1=NN=N[N-]1	REAL300020232358	1	44	-1.0	-54.55	372.38	6.34	-48.21
O=C(NC(CCC1=CC=CC=C1)C(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020232359	0	44	-1.0	-43.78	373.79	6.40	-37.38
O=C(NC(CCC1=CC=CC=C1)C(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020232359	1	44	-1.0	-43.77	373.86	6.41	-37.36
O=C(NC(CCC1=CC=CC=C1)C(F)(F)F)N1CCCCC1CC1=N[N-]N=N1	REAL300020232360	0	50	-1.0	-47.55	395.97	8.14	-39.41
O=C(NC(CCC1=CC=CC=C1)C(F)(F)F)N1CCCCC1CC1=NN=N[N-]1	REAL300020232360	1	50	-1.0	-47.52	396.02	8.16	-39.36
COC(=O)C(C)CC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020232361	0	50	-1.0	-56.88	418.10	7.43	-49.45
COC(=O)C(C)CC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020232361	1	50	-1.0	-56.89	418.16	7.46	-49.43
COC(=O)C(C)CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020232362	0	50	-1.0	-46.53	399.10	6.98	-39.55
COC(=O)C(C)CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020232362	1	50	-1.0	-46.53	399.16	7.00	-39.53
COC(=O)C(C)CC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020232363	0	47	-1.0	-55.77	383.60	6.07	-49.70
COC(=O)C(C)CC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020232363	1	47	-1.0	-55.84	383.66	6.09	-49.75
COC(=O)C(C)CC1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020232364	0	50	-1.0	-50.75	427.13	6.03	-44.72
COC(=O)C(C)CC1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020232364	1	50	-1.0	-50.72	427.19	6.04	-44.68
COC(=O)C(C)CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020232365	0	47	-1.0	-46.60	384.71	6.15	-40.45
COC(=O)C(C)CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020232365	1	47	-1.0	-46.57	384.78	6.16	-40.41
COC(=O)C(C)CC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020232366	0	53	-1.0	-50.10	406.89	7.90	-42.20
COC(=O)C(C)CC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020232366	1	53	-1.0	-50.09	406.95	7.91	-42.18
COCC(=O)N1CCC2=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=CC=C21	REAL300020232367	0	50	-1.0	-54.41	396.03	5.59	-48.82
COCC(=O)N1CCC2=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=CC=C21	REAL300020232367	1	50	-1.0	-54.43	396.09	5.60	-48.83
COCC(=O)N1CCC2=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=CC=C21	REAL300020232368	0	47	-1.0	-63.72	381.73	4.66	-59.06
COCC(=O)N1CCC2=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=CC=C21	REAL300020232368	1	47	-1.0	-63.72	381.79	4.68	-59.04
COCC(=O)N1CCC2=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=CC=C21	REAL300020232369	0	47	-1.0	-54.24	383.24	4.71	-49.53
COCC(=O)N1CCC2=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=CC=C21	REAL300020232369	1	47	-1.0	-54.24	383.31	4.73	-49.51
COCC(=O)N1CCC2=C(NC(=O)N3CCCCC3CC3=N[N-]N=N3)C=CC=C21	REAL300020232370	0	53	-1.0	-60.82	404.63	6.45	-54.37
COCC(=O)N1CCC2=C(NC(=O)N3CCCCC3CC3=NN=N[N-]3)C=CC=C21	REAL300020232370	1	53	-1.0	-60.82	404.68	6.46	-54.36
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC(C(F)F)=C1Cl	REAL300020232371	0	38	-1.0	-40.54	344.62	6.16	-34.38
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC(C(F)F)=C1Cl	REAL300020232371	1	38	-1.0	-40.51	344.56	6.14	-34.37
O=C(NC1=CC=CC(C(F)F)=C1Cl)N1CCC(C2=N[N-]N=N2)CC1	REAL300020232372	0	38	-1.0	-44.51	329.45	5.73	-38.78
O=C(NC1=CC=CC(C(F)F)=C1Cl)N1CCC(C2=NN=N[N-]2)CC1	REAL300020232372	1	38	-1.0	-44.51	329.51	5.75	-38.76
O=C(NC1=CC=CC(C(F)F)=C1Cl)N1CCCC1C1=N[N-]N=N1	REAL300020232373	0	35	-1.0	-49.50	310.41	4.76	-44.74
O=C(NC1=CC=CC(C(F)F)=C1Cl)N1CCCC1C1=NN=N[N-]1	REAL300020232373	1	35	-1.0	-49.53	310.47	4.77	-44.76
CSCC[C@H](NC(=O)NC1=CC=CC(C(F)F)=C1Cl)C1=N[N-]N=N1	REAL300020232374	0	38	-1.0	-46.67	357.25	4.82	-41.85
CSCC[C@H](NC(=O)NC1=CC=CC(C(F)F)=C1Cl)C1=NN=N[N-]1	REAL300020232374	1	38	-1.0	-46.69	357.31	4.83	-41.86
O=C(NC1=CC=CC(C(F)F)=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020232375	0	35	-1.0	-44.46	315.07	4.89	-39.57
O=C(NC1=CC=CC(C(F)F)=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020232375	1	35	-1.0	-44.43	315.15	4.91	-39.52
O=C(NC1=CC=CC(C(F)F)=C1Cl)N1CCCCC1CC1=N[N-]N=N1	REAL300020232376	0	41	-1.0	-49.16	336.94	6.63	-42.53
O=C(NC1=CC=CC(C(F)F)=C1Cl)N1CCCCC1CC1=NN=N[N-]1	REAL300020232376	1	41	-1.0	-49.13	336.99	6.63	-42.50
CC1=CC(C)=C([N+](=O)[O-])C=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020232377	0	43	-1.0	-67.20	365.44	6.89	-60.31
CC1=CC(C)=C([N+](=O)[O-])C=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020232377	1	43	-1.0	-67.22	365.38	6.86	-60.36
CC1=CC(C)=C([N+](=O)[O-])C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020232378	0	43	-1.0	-52.42	345.79	6.36	-46.06
CC1=CC(C)=C([N+](=O)[O-])C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020232378	1	43	-1.0	-52.46	345.85	6.38	-46.08
CC1=CC(C)=C([N+](=O)[O-])C=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020232379	0	40	-1.0	-69.02	331.69	5.47	-63.55
CC1=CC(C)=C([N+](=O)[O-])C=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020232379	1	40	-1.0	-69.03	331.75	5.49	-63.54
CSCC[C@H](NC(=O)NC1=CC([N+](=O)[O-])=C(C)C=C1C)C1=N[N-]N=N1	REAL300020232380	0	43	-1.0	-53.56	373.69	5.35	-48.21
CSCC[C@H](NC(=O)NC1=CC([N+](=O)[O-])=C(C)C=C1C)C1=NN=N[N-]1	REAL300020232380	1	43	-1.0	-53.61	373.75	5.36	-48.25
CC1=CC(C)=C([N+](=O)[O-])C=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020232381	0	40	-1.0	-53.18	331.54	5.47	-47.71
CC1=CC(C)=C([N+](=O)[O-])C=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020232381	1	40	-1.0	-53.20	331.62	5.49	-47.71
CC1=CC(C)=C([N+](=O)[O-])C=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020232382	0	46	-1.0	-44.05	359.77	6.51	-37.54
CC1=CC(C)=C([N+](=O)[O-])C=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020232382	1	46	-1.0	-44.03	359.82	6.53	-37.50
O=C(NC1=CC(Br)=CC=C1C(F)F)N1CCCC1C1=N[N-]N=N1	REAL300020232383	0	35	-1.0	-56.00	318.83	5.16	-50.84
O=C(NC1=CC(Br)=CC=C1C(F)F)N1CCCC1C1=NN=N[N-]1	REAL300020232383	1	35	-1.0	-56.03	318.89	5.18	-50.85
O=C(NC1=CC(Br)=CC=C1C(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020232384	0	35	-1.0	-45.81	320.19	5.21	-40.60
O=C(NC1=CC(Br)=CC=C1C(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020232384	1	35	-1.0	-45.82	320.27	5.22	-40.60
CSCC1=CC=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020232385	0	42	-1.0	-47.48	365.23	6.86	-40.62
CSCC1=CC=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020232385	1	42	-1.0	-47.44	365.17	6.83	-40.61
CSCC1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020232386	0	42	-1.0	-44.69	345.09	6.32	-38.37
CSCC1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020232386	1	42	-1.0	-44.68	345.15	6.33	-38.35
CSCC1=CC=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020232387	0	39	-1.0	-52.45	331.01	5.45	-47.00
CSCC1=CC=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020232387	1	39	-1.0	-52.42	331.07	5.47	-46.95
CSCC[C@H](NC(=O)NC1=CC=CC=C1CSC)C1=N[N-]N=N1	REAL300020232388	0	42	-1.0	-45.51	375.52	5.46	-40.05
CSCC[C@H](NC(=O)NC1=CC=CC=C1CSC)C1=NN=N[N-]1	REAL300020232388	1	42	-1.0	-45.55	375.57	5.48	-40.07
CSCC1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020232389	0	39	-1.0	-43.59	332.36	5.50	-38.09
CSCC1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020232389	1	39	-1.0	-43.59	332.43	5.52	-38.07
CSCC1=CC=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020232390	0	45	-1.0	-49.26	354.82	7.35	-41.91
CSCC1=CC=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020232390	1	45	-1.0	-49.24	354.87	7.35	-41.89
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC(C2=NNC=C2)=C1	REAL300020232391	0	42	-1.0	-66.19	362.18	4.79	-61.40
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC(C2=NNC=C2)=C1	REAL300020232391	1	42	-1.0	-66.20	362.12	4.77	-61.43
O=C(NC1=CC=CC(C2=NNC=C2)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020232392	0	42	-1.0	-52.69	342.77	4.36	-48.33
O=C(NC1=CC=CC(C2=NNC=C2)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020232392	1	42	-1.0	-52.73	342.82	4.38	-48.35
O=C(NC1=CC=CC(C2=NNC=C2)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020232393	0	39	-1.0	-69.54	327.37	3.43	-66.11
O=C(NC1=CC=CC(C2=NNC=C2)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020232393	1	39	-1.0	-69.57	327.43	3.45	-66.12
CSCC[C@H](NC(=O)NC1=CC=CC(C2=NNC=C2)=C1)C1=N[N-]N=N1	REAL300020232394	0	42	-1.0	-61.77	371.23	3.37	-58.40
CSCC[C@H](NC(=O)NC1=CC=CC(C2=NNC=C2)=C1)C1=NN=N[N-]1	REAL300020232394	1	42	-1.0	-61.77	371.29	3.38	-58.39
O=C(NC1=CC=CC(C2=NNC=C2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020232395	0	39	-1.0	-54.30	328.72	3.48	-50.82
O=C(NC1=CC=CC(C2=NNC=C2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020232395	1	39	-1.0	-54.29	328.79	3.49	-50.80
O=C(NC1=CC=CC(C2=NNC=C2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020232396	0	45	-1.0	-50.41	357.39	4.51	-45.90
O=C(NC1=CC=CC(C2=NNC=C2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020232396	1	45	-1.0	-50.38	357.44	4.54	-45.84
CC1=NSC([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1Cl	REAL300020232397	0	33	-2.0	-81.70	321.37	2.51	-79.19
CC1=NSC([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1Cl	REAL300020232397	1	33	-2.0	-81.72	321.32	2.48	-79.24
CC1=NSC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1Cl	REAL300020232397	1	34	-1.0	-39.52	323.88	3.67	-35.85
CC1=NSC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1Cl	REAL300020232398	0	34	-1.0	-40.70	304.64	3.20	-37.50
CC1=NSC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1Cl	REAL300020232398	1	34	-1.0	-40.76	304.70	3.21	-37.55
CC1=NSC([N-]C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1Cl	REAL300020232398	1	33	-2.0	-83.67	304.37	2.36	-81.31
CC1=NSC([N-]C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1Cl	REAL300020232398	1	33	-2.0	-83.69	304.43	2.38	-81.31
CC1=NSC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1Cl	REAL300020232399	0	31	-1.0	-48.92	289.20	2.28	-46.64
CC1=NSC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1Cl	REAL300020232399	1	31	-1.0	-48.96	289.26	2.30	-46.66
CC1=NSC([N-]C(=O)N2CCCC2C2=N[N-]N=N2)=C1Cl	REAL300020232399	1	30	-2.0	-103.63	288.54	1.25	-102.38
CC1=NSC([N-]C(=O)N2CCCC2C2=NN=N[N-]2)=C1Cl	REAL300020232399	1	30	-2.0	-103.64	288.60	1.26	-102.38
CSCC[C@H](NC(=O)NC1=C(Cl)C(C)=NS1)C1=N[N-]N=N1	REAL300020232400	0	34	-1.0	-42.82	332.80	2.24	-40.58
CSCC[C@H](NC(=O)NC1=C(Cl)C(C)=NS1)C1=NN=N[N-]1	REAL300020232400	1	34	-1.0	-42.80	332.86	2.26	-40.54
CSCC[C@H](NC(=O)[N-]C1=C(Cl)C(C)=NS1)C1=N[N-]N=N1	REAL300020232400	1	33	-2.0	-94.55	330.30	1.07	-93.48
CSCC[C@H](NC(=O)[N-]C1=C(Cl)C(C)=NS1)C1=NN=N[N-]1	REAL300020232400	1	33	-2.0	-94.51	330.36	1.09	-93.42
CC1=NSC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1Cl	REAL300020232401	0	31	-1.0	-40.22	290.67	2.33	-37.89
CC1=NSC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1Cl	REAL300020232401	1	31	-1.0	-40.31	290.75	2.34	-37.97
CC1=NSC([N-]C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1Cl	REAL300020232401	1	30	-2.0	-84.22	289.30	1.30	-82.92
CC1=NSC([N-]C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1Cl	REAL300020232401	1	30	-2.0	-84.20	289.37	1.31	-82.89
CC1=NSC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1Cl	REAL300020232402	0	37	-1.0	-45.61	312.87	4.07	-41.54
CC1=NSC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1Cl	REAL300020232402	1	37	-1.0	-45.63	312.92	4.07	-41.56
CC1=NSC([N-]C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1Cl	REAL300020232402	1	36	-2.0	-89.29	317.59	2.95	-86.34
CC1=NSC([N-]C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1Cl	REAL300020232402	1	36	-2.0	-89.26	317.65	2.98	-86.28
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=C(F)C=CC=C1Cl	REAL300020232403	0	35	-1.0	-46.76	323.55	5.51	-41.25
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=C(F)C=CC=C1Cl	REAL300020232403	1	35	-1.0	-46.74	323.49	5.49	-41.25
O=C(NC1=C(F)C=CC=C1Cl)N1CCC(C2=N[N-]N=N2)CC1	REAL300020232404	0	35	-1.0	-46.24	304.73	4.98	-41.26
O=C(NC1=C(F)C=CC=C1Cl)N1CCC(C2=NN=N[N-]2)CC1	REAL300020232404	1	35	-1.0	-46.24	304.78	4.99	-41.25
O=C(NC1=C(F)C=CC=C1Cl)N1CCCC1C1=N[N-]N=N1	REAL300020232405	0	32	-1.0	-56.60	295.28	4.22	-52.38
O=C(NC1=C(F)C=CC=C1Cl)N1CCCC1C1=NN=N[N-]1	REAL300020232405	1	32	-1.0	-56.63	295.33	4.25	-52.38
CSCC[C@H](NC(=O)NC1=C(F)C=CC=C1Cl)C1=N[N-]N=N1	REAL300020232406	0	35	-1.0	-50.08	338.80	4.19	-45.89
CSCC[C@H](NC(=O)NC1=C(F)C=CC=C1Cl)C1=NN=N[N-]1	REAL300020232406	1	35	-1.0	-50.10	338.85	4.21	-45.89
O=C(NC1=C(F)C=CC=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020232407	0	32	-1.0	-46.07	296.64	4.28	-41.79
O=C(NC1=C(F)C=CC=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020232407	1	32	-1.0	-46.07	296.71	4.29	-41.78
O=C(NC1=C(F)C=CC=C1Cl)N1CCCCC1CC1=N[N-]N=N1	REAL300020232408	0	38	-1.0	-49.31	311.36	5.55	-43.76
O=C(NC1=C(F)C=CC=C1Cl)N1CCCCC1CC1=NN=N[N-]1	REAL300020232408	1	38	-1.0	-49.31	311.40	5.55	-43.76
CC(=O)OCCC1=CC=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020232409	0	47	-1.0	-57.40	403.06	7.20	-50.20
CC(=O)OCCC1=CC=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020232409	1	47	-1.0	-57.40	403.01	7.18	-50.22
CC(=O)OCCC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020232410	0	47	-1.0	-48.77	384.10	6.70	-42.07
CC(=O)OCCC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020232410	1	47	-1.0	-48.75	384.15	6.71	-42.04
CC(=O)OCCC1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020232411	0	44	-1.0	-56.73	368.71	5.78	-50.95
CC(=O)OCCC1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020232411	1	44	-1.0	-56.74	368.76	5.79	-50.95
CSCC[C@H](NC(=O)NC1=CC=CC(CCOC(C)=O)=C1)C1=N[N-]N=N1	REAL300020232412	0	47	-1.0	-50.13	411.97	5.78	-44.35
CSCC[C@H](NC(=O)NC1=CC=CC(CCOC(C)=O)=C1)C1=NN=N[N-]1	REAL300020232412	1	47	-1.0	-50.16	412.02	5.79	-44.37
CC(=O)OCCC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020232413	0	44	-1.0	-47.77	369.75	5.85	-41.92
CC(=O)OCCC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020232413	1	44	-1.0	-47.78	369.83	5.86	-41.92
CC(=O)OCCC1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020232414	0	50	-1.0	-52.30	392.07	7.60	-44.70
CC(=O)OCCC1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020232414	1	50	-1.0	-52.33	392.13	7.60	-44.73
CN1C=NC(C2=CC=CC(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=C2)=N1	REAL300020232415	0	44	-1.0	-52.23	381.49	6.87	-45.36
CN1C=NC(C2=CC=CC(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=C2)=N1	REAL300020232415	1	44	-1.0	-52.21	381.44	6.84	-45.37
CN1C=NC(C2=CC=CC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=C2)=N1	REAL300020232416	0	44	-1.0	-55.39	362.41	6.42	-48.97
CN1C=NC(C2=CC=CC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=C2)=N1	REAL300020232416	1	44	-1.0	-55.40	362.35	6.41	-48.99
CN1C=NC(C2=CC=CC(NC(=O)N3CCCC3C3=NN=N[N-]3)=C2)=N1	REAL300020232417	0	41	-1.0	-68.22	346.72	5.52	-62.70
CN1C=NC(C2=CC=CC(NC(=O)N3CCCC3C3=N[N-]N=N3)=C2)=N1	REAL300020232417	1	41	-1.0	-68.22	346.66	5.50	-62.72
CSCC[C@H](NC(=O)NC1=CC=CC(C2=NN(C)C=N2)=C1)C1=NN=N[N-]1	REAL300020232418	0	44	-1.0	-57.44	390.27	5.49	-51.95
CSCC[C@H](NC(=O)NC1=CC=CC(C2=NN(C)C=N2)=C1)C1=N[N-]N=N1	REAL300020232418	1	44	-1.0	-57.39	390.21	5.47	-51.92
CN1C=NC(C2=CC=CC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=C2)=N1	REAL300020232419	0	41	-1.0	-54.87	348.09	5.56	-49.31
CN1C=NC(C2=CC=CC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=C2)=N1	REAL300020232419	1	41	-1.0	-54.83	348.01	5.55	-49.28
CN1C=NC(C2=CC=CC(NC(=O)N3CCCCC3CC3=NN=N[N-]3)=C2)=N1	REAL300020232420	0	47	-1.0	-50.61	376.72	6.61	-44.00
CN1C=NC(C2=CC=CC(NC(=O)N3CCCCC3CC3=N[N-]N=N3)=C2)=N1	REAL300020232420	1	47	-1.0	-50.57	376.67	6.59	-43.98
CCCC1=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=NN1C1=CC=CC=C1	REAL300020232421	0	51	-1.0	-47.15	402.67	7.40	-39.75
CCCC1=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=NN1C1=CC=CC=C1	REAL300020232421	1	51	-1.0	-47.15	402.73	7.42	-39.73
CCCC1=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=NN1C1=CC=CC=C1	REAL300020232422	0	48	-1.0	-58.79	387.19	6.49	-52.30
CCCC1=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=NN1C1=CC=CC=C1	REAL300020232422	1	48	-1.0	-58.84	387.25	6.50	-52.34
CCCC1=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=NN1C1=CC=CC=C1	REAL300020232423	0	48	-1.0	-47.80	389.15	6.52	-41.28
CCCC1=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=NN1C1=CC=CC=C1	REAL300020232423	1	48	-1.0	-47.81	389.23	6.54	-41.27
CCCC1=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=NN1C1=CC=CC=C1	REAL300020232424	0	54	-1.0	-55.92	410.75	8.27	-47.65
CCCC1=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=NN1C1=CC=CC=C1	REAL300020232424	1	54	-1.0	-55.90	410.80	8.27	-47.63
CC(C)C1=CC=C(CN2N=CC=C2NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020232425	0	54	-1.0	-44.20	424.54	8.82	-35.38
CC(C)C1=CC=C(CN2N=CC=C2NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020232425	1	54	-1.0	-44.21	424.48	8.81	-35.40
CC(C)C1=CC=C(CN2N=CC=C2NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020232426	0	51	-1.0	-53.79	409.10	7.92	-45.87
CC(C)C1=CC=C(CN2N=CC=C2NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020232426	1	51	-1.0	-53.82	409.04	7.91	-45.91
CC(C)C1=CC=C(CN2N=CC=C2NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020232427	0	51	-1.0	-44.28	410.62	7.97	-36.31
CC(C)C1=CC=C(CN2N=CC=C2NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020232427	1	51	-1.0	-44.27	410.55	7.95	-36.32
CC(C)CC(C)N1N=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020232428	0	50	-1.0	-42.02	402.19	6.96	-35.06
CC(C)CC(C)N1N=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020232428	1	50	-1.0	-41.97	402.14	6.94	-35.03
CC(C)CC(C)N1N=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020232429	0	50	-1.0	-43.55	382.97	6.49	-37.06
CC(C)CC(C)N1N=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020232429	1	50	-1.0	-43.57	382.91	6.47	-37.10
CC(C)CC(C)N1N=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020232430	0	47	-1.0	-53.20	367.56	5.58	-47.62
CC(C)CC(C)N1N=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020232430	1	47	-1.0	-53.19	367.50	5.55	-47.64
CSCC[C@H](NC(=O)NC1=CC=NN1C(C)CC(C)C)C1=NN=N[N-]1	REAL300020232431	0	50	-1.0	-46.24	411.51	5.56	-40.68
CSCC[C@H](NC(=O)NC1=CC=NN1C(C)CC(C)C)C1=N[N-]N=N1	REAL300020232431	1	50	-1.0	-46.18	411.46	5.55	-40.63
CC(C)CC(C)N1N=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020232432	0	47	-1.0	-43.62	369.05	5.63	-37.99
CC(C)CC(C)N1N=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020232432	1	47	-1.0	-43.55	368.98	5.62	-37.93
CC(C)CC(C)N1N=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020232433	0	53	-1.0	-50.44	391.44	7.50	-42.94
CC(C)CC(C)N1N=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020232433	1	53	-1.0	-50.36	391.38	7.49	-42.87
O=C([N-]C1=NC(C2=CC=CC(Cl)=C2)=NS1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020232434	0	39	-2.0	-89.02	359.47	5.58	-83.44
O=C([N-]C1=NC(C2=CC=CC(Cl)=C2)=NS1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020232434	1	39	-2.0	-89.02	359.41	5.57	-83.45
O=C([N-]C1=NC(C2=CC=CC(Cl)=C2)=NS1)N1CCCC1C1=N[N-]N=N1	REAL300020232435	0	36	-2.0	-108.81	343.60	4.45	-104.36
O=C([N-]C1=NC(C2=CC=CC(Cl)=C2)=NS1)N1CCCC1C1=NN=N[N-]1	REAL300020232435	1	36	-2.0	-108.85	343.65	4.47	-104.38
O=C([N-]C1=NC(C2=CC=CC(Cl)=C2)=NS1)N1CCC(C2=NN=N[N-]2)C1	REAL300020232436	0	36	-2.0	-88.63	344.41	4.51	-84.12
O=C([N-]C1=NC(C2=CC=CC(Cl)=C2)=NS1)N1CCC(C2=N[N-]N=N2)C1	REAL300020232436	1	36	-2.0	-88.68	344.34	4.50	-84.18
CC(C)(C)C1=NN(C2=CC=CC=N2)C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020232437	0	53	-1.0	-46.79	418.04	8.62	-38.17
CC(C)(C)C1=NN(C2=CC=CC=N2)C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020232437	1	53	-1.0	-46.78	417.98	8.61	-38.17
CC(C)(C)C1=NN(C2=CC=CC=N2)C(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020232438	0	50	-1.0	-58.07	402.53	7.71	-50.36
CC(C)(C)C1=NN(C2=CC=CC=N2)C(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020232438	1	50	-1.0	-58.08	402.47	7.69	-50.39
CC(C)(C)C1=NN(C2=CC=CC=N2)C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020232439	0	50	-1.0	-46.37	404.05	7.75	-38.62
CC(C)(C)C1=NN(C2=CC=CC=N2)C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020232439	1	50	-1.0	-46.40	403.98	7.73	-38.67
O=C([N-]C1=NC(C2=CC=C(F)C=C2)=NS1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020232440	0	39	-2.0	-83.28	366.13	5.26	-78.02
O=C([N-]C1=NC(C2=CC=C(F)C=C2)=NS1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020232440	1	39	-2.0	-83.25	366.07	5.24	-78.01
O=C([N-]C1=NC(C2=CC=C(F)C=C2)=NS1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020232441	0	39	-2.0	-85.85	349.12	5.14	-80.71
O=C([N-]C1=NC(C2=CC=C(F)C=C2)=NS1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020232441	1	39	-2.0	-85.83	349.06	5.12	-80.71
O=C([N-]C1=NC(C2=CC=C(F)C=C2)=NS1)N1CCCC1C1=N[N-]N=N1	REAL300020232442	0	36	-2.0	-105.64	333.27	4.01	-101.63
O=C([N-]C1=NC(C2=CC=C(F)C=C2)=NS1)N1CCCC1C1=NN=N[N-]1	REAL300020232442	1	36	-2.0	-105.63	333.33	4.03	-101.60
CSCC[C@H](NC(=O)[N-]C1=NC(C2=CC=C(F)C=C2)=NS1)C1=N[N-]N=N1	REAL300020232443	0	39	-2.0	-96.21	375.04	3.83	-92.38
CSCC[C@H](NC(=O)[N-]C1=NC(C2=CC=C(F)C=C2)=NS1)C1=NN=N[N-]1	REAL300020232443	1	39	-2.0	-96.21	375.10	3.85	-92.36
O=C([N-]C1=NC(C2=CC=C(F)C=C2)=NS1)N1CCC(C2=NN=N[N-]2)C1	REAL300020232444	0	36	-2.0	-85.69	334.09	4.07	-81.62
O=C([N-]C1=NC(C2=CC=C(F)C=C2)=NS1)N1CCC(C2=N[N-]N=N2)C1	REAL300020232444	1	36	-2.0	-85.64	334.01	4.06	-81.58
O=C([N-]C1=NC(C2=CC=C(F)C=C2)=NS1)N1CCCCC1CC1=NN=N[N-]1	REAL300020232445	0	42	-2.0	-103.85	357.73	6.13	-97.72
O=C([N-]C1=NC(C2=CC=C(F)C=C2)=NS1)N1CCCCC1CC1=N[N-]N=N1	REAL300020232445	1	42	-2.0	-103.86	357.69	6.12	-97.74
CN(C)C1=CC=CN=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020232446	0	42	-1.0	-57.10	353.05	4.43	-52.67
CN(C)C1=CC=CN=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020232446	1	42	-1.0	-57.11	352.99	4.41	-52.70
CN(C)C1=CC=CN=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020232447	0	42	-1.0	-46.48	334.15	3.95	-42.53
CN(C)C1=CC=CN=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020232447	1	42	-1.0	-46.51	334.10	3.94	-42.57
CN(C)C1=CC=CN=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020232448	0	39	-1.0	-58.80	318.41	3.03	-55.77
CN(C)C1=CC=CN=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020232448	1	39	-1.0	-58.79	318.35	3.03	-55.76
CSCC[C@H](NC(=O)NC1=NC=CC=C1N(C)C)C1=NN=N[N-]1	REAL300020232449	0	42	-1.0	-51.17	362.03	3.00	-48.17
CSCC[C@H](NC(=O)NC1=NC=CC=C1N(C)C)C1=N[N-]N=N1	REAL300020232449	1	42	-1.0	-51.16	361.97	2.98	-48.18
CN(C)C1=CC=CN=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020232450	0	39	-1.0	-47.41	319.90	3.09	-44.32
CN(C)C1=CC=CN=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020232450	1	39	-1.0	-47.40	319.83	3.08	-44.32
CN(C)C1=CC=CN=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020232451	0	45	-1.0	-53.54	342.34	4.81	-48.73
CN(C)C1=CC=CN=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020232451	1	45	-1.0	-53.57	342.28	4.80	-48.77
CCOC(=O)COC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020232452	0	48	-1.0	-52.40	410.86	6.60	-45.80
CCOC(=O)COC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020232452	1	48	-1.0	-52.32	410.91	6.62	-45.70
CCOC(=O)COC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020232453	0	48	-1.0	-47.25	390.34	6.15	-41.10
CCOC(=O)COC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020232453	1	48	-1.0	-47.24	390.39	6.16	-41.08
CCOC(=O)COC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020232454	0	45	-1.0	-63.11	376.21	5.22	-57.89
CCOC(=O)COC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020232454	1	45	-1.0	-63.16	376.27	5.24	-57.92
CCOC(=O)COC1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020232455	0	48	-1.0	-50.39	420.03	5.16	-45.23
CCOC(=O)COC1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020232455	1	48	-1.0	-50.45	420.08	5.17	-45.28
CCOC(=O)COC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020232456	0	45	-1.0	-47.32	377.91	5.25	-42.07
CCOC(=O)COC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020232456	1	45	-1.0	-47.29	377.98	5.26	-42.03
CCOC(=O)COC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020232457	0	51	-1.0	-51.77	399.79	7.03	-44.74
CCOC(=O)COC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020232457	1	51	-1.0	-51.76	399.84	7.03	-44.73
O=C(NC1=NN(C2CCCCC2)C=N1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020232458	0	47	-1.0	-46.43	384.55	9.03	-37.40
O=C(NC1=NN(C2CCCCC2)C=N1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020232458	1	47	-1.0	-46.45	384.49	9.01	-37.44
O=C(NC1=NN(C2CCCCC2)C=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020232459	0	47	-1.0	-48.76	365.39	8.54	-40.22
O=C(NC1=NN(C2CCCCC2)C=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020232459	1	47	-1.0	-48.73	365.33	8.53	-40.20
O=C(NC1=NN(C2CCCCC2)C=N1)N1CCCC1C1=NN=N[N-]1	REAL300020232460	0	44	-1.0	-58.36	349.93	7.65	-50.71
O=C(NC1=NN(C2CCCCC2)C=N1)N1CCCC1C1=N[N-]N=N1	REAL300020232460	1	44	-1.0	-58.35	349.87	7.62	-50.73
CSCC[C@H](NC(=O)NC1=NN(C2CCCCC2)C=N1)C1=NN=N[N-]1	REAL300020232461	0	47	-1.0	-51.59	393.53	7.61	-43.98
CSCC[C@H](NC(=O)NC1=NN(C2CCCCC2)C=N1)C1=N[N-]N=N1	REAL300020232461	1	47	-1.0	-51.57	393.47	7.59	-43.98
O=C(NC1=NN(C2CCCCC2)C=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020232462	0	44	-1.0	-48.09	351.44	7.71	-40.38
O=C(NC1=NN(C2CCCCC2)C=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020232462	1	44	-1.0	-48.09	351.37	7.70	-40.39
O=C(NC1=NN(C2CCCCC2)C=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020232463	0	50	-1.0	-54.18	373.60	9.41	-44.77
O=C(NC1=NN(C2CCCCC2)C=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020232463	1	50	-1.0	-54.21	373.55	9.41	-44.80
CN1C=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(C(F)(F)F)=N1	REAL300020232464	0	38	-1.0	-40.90	342.93	3.63	-37.27
CN1C=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(C(F)(F)F)=N1	REAL300020232464	1	38	-1.0	-40.86	342.87	3.60	-37.26
CN1C=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(C(F)(F)F)=N1	REAL300020232465	0	38	-1.0	-42.21	323.77	3.16	-39.05
CN1C=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(C(F)(F)F)=N1	REAL300020232465	1	38	-1.0	-42.20	323.72	3.15	-39.05
CN1C=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C(C(F)(F)F)=N1	REAL300020232466	0	35	-1.0	-47.90	308.29	2.25	-45.65
CN1C=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C(C(F)(F)F)=N1	REAL300020232466	1	35	-1.0	-47.90	308.24	2.22	-45.68
CSCC[C@H](NC(=O)NC1=CN(C)N=C1C(F)(F)F)C1=NN=N[N-]1	REAL300020232467	0	38	-1.0	-42.93	351.91	2.20	-40.73
CSCC[C@H](NC(=O)NC1=CN(C)N=C1C(F)(F)F)C1=N[N-]N=N1	REAL300020232467	1	38	-1.0	-42.90	351.85	2.19	-40.71
CN1C=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C(C(F)(F)F)=N1	REAL300020232468	0	35	-1.0	-40.67	309.79	2.28	-38.39
CN1C=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C(C(F)(F)F)=N1	REAL300020232468	1	35	-1.0	-40.64	309.71	2.26	-38.38
CN1C=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C(C(F)(F)F)=N1	REAL300020232469	0	41	-1.0	-44.58	332.30	4.14	-40.44
CN1C=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C(C(F)(F)F)=N1	REAL300020232469	1	41	-1.0	-44.58	332.24	4.13	-40.45
CN1C=C(Br)C(=O)C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020232470	0	38	-1.0	-59.14	332.02	5.22	-53.92
CN1C=C(Br)C(=O)C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020232470	1	38	-1.0	-59.16	332.07	5.23	-53.93
CN1C=C(Br)C(=O)C(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020232471	0	35	-1.0	-70.96	316.97	3.95	-67.01
CN1C=C(Br)C(=O)C(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020232471	1	35	-1.0	-70.95	317.03	3.97	-66.98
CN1C=C(Br)C(=O)C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020232472	0	35	-1.0	-65.95	318.59	3.99	-61.96
CN1C=C(Br)C(=O)C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020232472	1	35	-1.0	-65.97	318.66	4.01	-61.96
CN1C=C(Br)C(=O)C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020232473	0	41	-1.0	-64.38	338.85	5.99	-58.39
CN1C=C(Br)C(=O)C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020232473	1	41	-1.0	-64.44	338.87	6.03	-58.41
CC1=NN=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020232474	0	36	-1.0	-44.48	311.94	2.84	-41.64
CC1=NN=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020232474	1	36	-1.0	-44.48	311.88	2.81	-41.67
CSCC[C@H](NC(=O)NC1=CC=NN=C1C)C1=N[N-]N=N1	REAL300020232475	0	36	-1.0	-45.49	320.12	1.33	-44.16
CSCC[C@H](NC(=O)NC1=CC=NN=C1C)C1=NN=N[N-]1	REAL300020232475	1	36	-1.0	-45.51	320.18	1.34	-44.17
CC1=NN=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020232476	0	39	-1.0	-39.78	301.06	2.43	-37.35
CC1=NN=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020232476	1	39	-1.0	-39.75	301.09	2.44	-37.31
CC1=NOC(C2CC2)=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020232477	0	41	-1.0	-44.55	349.68	5.12	-39.43
CC1=NOC(C2CC2)=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020232477	1	41	-1.0	-44.56	349.62	5.10	-39.46
CC1=NOC(C2CC2)=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020232478	0	41	-1.0	-44.12	330.89	4.57	-39.55
CC1=NOC(C2CC2)=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020232478	1	41	-1.0	-44.17	330.95	4.58	-39.59
CC1=NOC(C2CC2)=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020232479	0	38	-1.0	-54.13	319.54	3.61	-50.52
CC1=NOC(C2CC2)=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020232479	1	38	-1.0	-54.12	319.60	3.62	-50.50
CSCC[C@H](NC(=O)NC1=C(C2CC2)ON=C1C)C1=N[N-]N=N1	REAL300020232480	0	41	-1.0	-46.22	363.33	3.62	-42.60
CSCC[C@H](NC(=O)NC1=C(C2CC2)ON=C1C)C1=NN=N[N-]1	REAL300020232480	1	41	-1.0	-46.22	363.39	3.63	-42.59
CC1=NOC(C2CC2)=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020232481	0	38	-1.0	-44.24	321.00	3.71	-40.53
CC1=NOC(C2CC2)=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020232481	1	38	-1.0	-44.24	321.08	3.72	-40.52
CC1=NOC(C2CC2)=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020232482	0	44	-1.0	-49.51	340.90	5.40	-44.11
CC1=NOC(C2CC2)=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020232482	1	44	-1.0	-49.50	340.90	5.42	-44.08
CC1=NOC(C2=CC=CC=C2)=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020232483	0	44	-1.0	-44.90	374.16	6.94	-37.96
CC1=NOC(C2=CC=CC=C2)=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020232483	1	44	-1.0	-44.86	374.10	6.91	-37.95
CC1=NOC(C2=CC=CC=C2)=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020232484	0	44	-1.0	-42.63	355.03	6.43	-36.20
CC1=NOC(C2=CC=CC=C2)=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020232484	1	44	-1.0	-42.61	354.98	6.41	-36.20
CC1=NOC(C2=CC=CC=C2)=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020232485	0	41	-1.0	-53.65	338.30	5.48	-48.17
CC1=NOC(C2=CC=CC=C2)=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020232485	1	41	-1.0	-53.62	338.24	5.47	-48.15
CSCC[C@H](NC(=O)NC1=C(C2=CC=CC=C2)ON=C1C)C1=NN=N[N-]1	REAL300020232486	0	44	-1.0	-46.18	382.40	5.45	-40.73
CSCC[C@H](NC(=O)NC1=C(C2=CC=CC=C2)ON=C1C)C1=N[N-]N=N1	REAL300020232486	1	44	-1.0	-46.22	382.34	5.43	-40.79
CC1=NOC(C2=CC=CC=C2)=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020232487	0	41	-1.0	-44.31	345.65	5.81	-38.50
CC1=NOC(C2=CC=CC=C2)=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020232487	1	41	-1.0	-44.32	345.57	5.79	-38.53
CC1=NOC(C2=CC=CC=C2)=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020232488	0	47	-1.0	-40.31	361.13	6.25	-34.06
CC1=NOC(C2=CC=CC=C2)=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020232488	1	47	-1.0	-40.27	361.08	6.25	-34.02
CC1=CC=NC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020232489	0	37	-1.0	-46.09	320.60	5.20	-40.89
CC1=CC=NC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020232489	1	37	-1.0	-46.06	320.54	5.18	-40.88
CSCC[C@H](NC(=O)NC1=CC(C)=CC=N1)C1=N[N-]N=N1	REAL300020232490	0	37	-1.0	-52.24	329.77	3.72	-48.52
CSCC[C@H](NC(=O)NC1=CC(C)=CC=N1)C1=NN=N[N-]1	REAL300020232490	1	37	-1.0	-52.24	329.83	3.74	-48.50
CC1=CC=NC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020232491	0	40	-1.0	-54.92	310.19	5.51	-49.41
CC1=CC=NC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020232491	1	40	-1.0	-54.95	310.25	5.52	-49.43
CC1=NC=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1Cl	REAL300020232495	0	37	-1.0	-39.86	331.74	4.19	-35.67
CC1=NC=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1Cl	REAL300020232495	1	37	-1.0	-39.83	331.68	4.16	-35.67
CC1=NC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1Cl	REAL300020232496	0	37	-1.0	-41.01	313.23	3.68	-37.33
CC1=NC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1Cl	REAL300020232496	1	37	-1.0	-40.96	313.28	3.70	-37.26
CC1=NC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1Cl	REAL300020232497	0	34	-1.0	-49.06	296.67	2.77	-46.29
CC1=NC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1Cl	REAL300020232497	1	34	-1.0	-49.05	296.73	2.79	-46.26
CSCC[C@H](NC(=O)NC1=CC=NC(C)=C1Cl)C1=N[N-]N=N1	REAL300020232498	0	37	-1.0	-43.11	340.19	2.74	-40.37
CSCC[C@H](NC(=O)NC1=CC=NC(C)=C1Cl)C1=NN=N[N-]1	REAL300020232498	1	37	-1.0	-43.12	340.24	2.75	-40.37
CC1=NC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1Cl	REAL300020232499	0	34	-1.0	-40.78	298.86	2.85	-37.93
CC1=NC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1Cl	REAL300020232499	1	34	-1.0	-40.78	298.93	2.86	-37.92
CC1=NC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1Cl	REAL300020232500	0	40	-1.0	-45.75	320.07	4.57	-41.18
CC1=NC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1Cl	REAL300020232500	1	40	-1.0	-45.72	320.13	4.58	-41.14
O=C(NC1=C(C(F)(F)F)N(C2=CC=CC=C2)N=C1)N1CCCC1C1=NN=N[N-]1	REAL300020232501	0	42	-1.0	-51.43	356.59	5.30	-46.13
O=C(NC1=C(C(F)(F)F)N(C2=CC=CC=C2)N=C1)N1CCCC1C1=N[N-]N=N1	REAL300020232501	1	42	-1.0	-51.45	356.54	5.27	-46.18
O=C(NC1=C(C(F)(F)F)N(C2=CC=CC=C2)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020232502	0	42	-1.0	-42.04	358.03	5.33	-36.71
O=C(NC1=C(C(F)(F)F)N(C2=CC=CC=C2)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020232502	1	42	-1.0	-42.02	357.96	5.32	-36.70
CC1=C(I)C=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020232503	0	35	-1.0	-51.58	310.05	5.22	-46.36
CC1=C(I)C=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020232503	1	35	-1.0	-51.55	310.11	5.24	-46.31
CC1=C(I)C=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020232504	0	35	-1.0	-41.54	311.60	5.26	-36.28
CC1=C(I)C=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020232504	1	35	-1.0	-41.53	311.67	5.27	-36.26
CC1=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=NC(Cl)=C1Br	REAL300020232505	0	34	-1.0	-53.21	314.65	3.32	-49.89
CC1=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=NC(Cl)=C1Br	REAL300020232505	1	34	-1.0	-53.19	314.71	3.33	-49.86
CC1=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=NC(Cl)=C1Br	REAL300020232506	0	34	-1.0	-43.15	316.16	3.36	-39.79
CC1=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=NC(Cl)=C1Br	REAL300020232506	1	34	-1.0	-43.18	316.23	3.38	-39.80
CC1=CC=CN=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020232507	0	37	-1.0	-59.93	317.18	5.28	-54.65
CC1=CC=CN=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020232507	1	37	-1.0	-59.88	317.13	5.26	-54.62
CSCC[C@H](NC(=O)NC1=NC=CC=C1C)C1=NN=N[N-]1	REAL300020232508	0	37	-1.0	-52.74	326.16	3.86	-48.88
CSCC[C@H](NC(=O)NC1=NC=CC=C1C)C1=N[N-]N=N1	REAL300020232508	1	37	-1.0	-52.72	326.11	3.84	-48.88
CC1=CC=CN=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020232509	0	40	-1.0	-55.53	306.24	5.65	-49.88
CC1=CC=CN=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020232509	1	40	-1.0	-55.54	306.19	5.65	-49.89
CC1=CC=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020232510	0	37	-1.0	-49.64	320.70	5.12	-44.52
CC1=CC=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020232510	1	37	-1.0	-49.67	320.64	5.10	-44.57
CSCC[C@H](NC(=O)NC1=CC=CC(C)=N1)C1=N[N-]N=N1	REAL300020232511	0	37	-1.0	-53.30	329.89	3.64	-49.66
CSCC[C@H](NC(=O)NC1=CC=CC(C)=N1)C1=NN=N[N-]1	REAL300020232511	1	37	-1.0	-53.26	329.95	3.66	-49.60
CC1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020232512	0	40	-1.0	-45.72	314.68	4.19	-41.53
CC1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020232512	1	40	-1.0	-45.68	314.72	4.21	-41.47
CC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)N=C1	REAL300020232513	0	37	-1.0	-60.11	320.78	5.13	-54.98
CC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)N=C1	REAL300020232513	1	37	-1.0	-60.11	320.72	5.11	-55.00
CSCC[C@H](NC(=O)NC1=CC=C(C)C=N1)C1=NN=N[N-]1	REAL300020232514	0	37	-1.0	-52.80	329.79	3.71	-49.09
CSCC[C@H](NC(=O)NC1=CC=C(C)C=N1)C1=N[N-]N=N1	REAL300020232514	1	37	-1.0	-52.81	329.73	3.69	-49.12
CC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)N=C1	REAL300020232515	0	40	-1.0	-54.99	309.81	5.51	-49.48
CC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)N=C1	REAL300020232515	1	40	-1.0	-55.03	309.76	5.51	-49.52
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=C(F)C=N1	REAL300020232516	0	34	-1.0	-45.58	305.78	4.55	-41.03
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=C(F)C=N1	REAL300020232516	1	34	-1.0	-45.58	305.73	4.53	-41.05
CSCC[C@H](NC(=O)NC1=CC=C(F)C=N1)C1=NN=N[N-]1	REAL300020232517	0	34	-1.0	-51.15	314.77	3.13	-48.02
CSCC[C@H](NC(=O)NC1=CC=C(F)C=N1)C1=N[N-]N=N1	REAL300020232517	1	34	-1.0	-51.20	314.71	3.11	-48.09
O=C(NC1=CC=C(F)C=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020232518	0	37	-1.0	-40.67	299.56	3.66	-37.01
O=C(NC1=CC=C(F)C=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020232518	1	37	-1.0	-40.67	299.51	3.63	-37.04
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=C(C(F)(F)F)C=N1	REAL300020232519	0	37	-1.0	-58.71	338.46	5.48	-53.23
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=C(C(F)(F)F)C=N1	REAL300020232519	1	37	-1.0	-58.69	338.40	5.46	-53.23
O=C(NC1=CC=C(C(F)(F)F)C=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020232520	0	37	-1.0	-46.44	318.97	4.96	-41.48
O=C(NC1=CC=C(C(F)(F)F)C=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020232520	1	37	-1.0	-46.47	318.91	4.94	-41.53
O=C(NC1=CC=C(C(F)(F)F)C=N1)N1CCCC1C1=NN=N[N-]1	REAL300020232521	0	34	-1.0	-57.87	303.79	4.09	-53.78
O=C(NC1=CC=C(C(F)(F)F)C=N1)N1CCCC1C1=N[N-]N=N1	REAL300020232521	1	34	-1.0	-57.92	303.73	4.07	-53.85
CSCC[C@H](NC(=O)NC1=CC=C(C(F)(F)F)C=N1)C1=NN=N[N-]1	REAL300020232522	0	37	-1.0	-50.47	347.46	4.05	-46.42
CSCC[C@H](NC(=O)NC1=CC=C(C(F)(F)F)C=N1)C1=N[N-]N=N1	REAL300020232522	1	37	-1.0	-50.46	347.41	4.04	-46.42
O=C(NC1=CC=C(C(F)(F)F)C=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020232523	0	34	-1.0	-47.94	305.32	4.15	-43.79
O=C(NC1=CC=C(C(F)(F)F)C=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020232523	1	34	-1.0	-47.90	305.24	4.14	-43.76
O=C(NC1=CC=C(C(F)(F)F)C=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020232524	0	40	-1.0	-52.57	327.49	5.86	-46.71
O=C(NC1=CC=C(C(F)(F)F)C=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020232524	1	40	-1.0	-52.59	327.44	5.85	-46.74
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC(C(F)(F)F)=N1	REAL300020232525	0	37	-1.0	-53.04	339.59	5.61	-47.43
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC(C(F)(F)F)=N1	REAL300020232525	1	37	-1.0	-53.08	339.53	5.59	-47.49
O=C(NC1=CC=CC(C(F)(F)F)=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020232526	0	37	-1.0	-52.07	320.72	5.10	-46.97
O=C(NC1=CC=CC(C(F)(F)F)=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020232526	1	37	-1.0	-52.10	320.67	5.08	-47.02
O=C(NC1=CC=CC(C(F)(F)F)=N1)N1CCCC1C1=NN=N[N-]1	REAL300020232527	0	34	-1.0	-64.97	305.30	4.18	-60.79
O=C(NC1=CC=CC(C(F)(F)F)=N1)N1CCCC1C1=N[N-]N=N1	REAL300020232527	1	34	-1.0	-64.92	305.24	4.17	-60.75
CSCC[C@H](NC(=O)NC1=CC=CC(C(F)(F)F)=N1)C1=NN=N[N-]1	REAL300020232528	0	37	-1.0	-56.72	348.83	4.14	-52.58
CSCC[C@H](NC(=O)NC1=CC=CC(C(F)(F)F)=N1)C1=N[N-]N=N1	REAL300020232528	1	37	-1.0	-56.72	348.78	4.12	-52.60
O=C([O-])CN1C(=O)NC2(CCN(C(=O)CCC3=N[N-]N=N3)CC2)C1=O	REAL300020252483	0	40	-2.0	-93.18	342.03	1.91	-91.27
O=C([O-])CN1C(=O)NC2(CCN(C(=O)CCC3=NN=N[N-]3)CC2)C1=O	REAL300020252483	1	40	-2.0	-93.22	342.09	1.92	-91.30
O=C([O-])CN1C=CC2=CC(NC(=O)CCC3=N[N-]N=N3)=CC=C21	REAL300020252484	0	35	-2.0	-92.19	315.68	5.41	-86.78
O=C([O-])CN1C=CC2=CC(NC(=O)CCC3=NN=N[N-]3)=CC=C21	REAL300020252484	1	35	-2.0	-92.19	315.74	5.42	-86.77
O=C1[N-]N=NN1C1=CC=C(C2=CC=C(CN3C=CC=N3)C(F)=C2)C=C1	REAL300020252485	0	37	-1.0	-42.70	324.33	6.14	-36.56
COCCOCC1=CC=CC(C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300020252486	0	41	-1.0	-44.46	345.57	4.42	-40.04
CC(C)OCC1=CC=CC(C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300020252487	0	40	-1.0	-41.53	332.22	5.91	-35.62
CCCOCCOC1=CC=CC(C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300020252488	0	44	-1.0	-44.26	363.34	5.73	-38.53
O=C1[N-]N=NN1C1=CC=C(C2=CC=CC=C2OCC2CCOC2)C=C1	REAL300020252489	0	42	-1.0	-45.17	347.06	5.18	-39.99
CC[NH+](CC)CCOC1=CC=C(C2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300020252490	0	49	0.0	-65.92	374.60	7.22	-58.70
C[NH+]1CCN(CCOC2=CC=C(C3=CC=C(N4N=N[N-]C4=O)C=C3)C=C2)CC1	REAL300020252491	0	52	0.0	-66.82	401.32	5.37	-61.45
CN1CC[NH+](CCOC2=CC=C(C3=CC=C(N4N=N[N-]C4=O)C=C3)C=C2)CC1	REAL300020252491	1	52	0.0	-68.22	401.31	5.46	-62.76
CN1CCN(CCOC2=CC=C(C3=CC=C(N4N=N[N-]C4=O)C=C3)C=C2)CC1	REAL300020252491	1	51	-1.0	-41.88	398.85	3.09	-38.79
CC1=CC(C)=NN1C1=CC=C(C2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300020252492	0	40	-1.0	-43.39	334.09	6.65	-36.74
O=C1[N-]N=NN1C1=CC=C(C2=CC=C(CN3C=CC=CC3=O)C=C2)C=C1	REAL300020252493	0	40	-1.0	-52.17	340.51	7.22	-44.95
O=C1[N-]N=NN1C1=CC=C(C2=CC(F)=CC=C2OC(F)F)C=C1	REAL300020252494	0	31	-1.0	-39.77	285.20	4.45	-35.32
CC1=CC=C(OC2CCCC2)C(C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300020252495	0	44	-1.0	-42.51	356.00	7.70	-34.81
CC=CCOC1=CC=C(C2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300020252496	0	38	-1.0	-40.63	320.94	6.14	-34.49
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O=C1[N-]N=NN1C1=CC=C(C2=CC=C(C3=CC=CC=C3C(F)(F)F)O2)C=C1	REAL300020252500	0	37	-1.0	-43.22	334.59	7.54	-35.68
O=C1[N-]N=NN1C1=CC=C(C2=CC=C(OCC3CCCCO3)C=C2)C=C1	REAL300020252501	0	45	-1.0	-42.41	361.53	6.03	-36.38
O=C1[N-]N=NN1C1=CC=C(C2=CC=C(CN3C=CC(C(F)(F)F)=N3)C=C2)C=C1	REAL300020252502	0	40	-1.0	-47.92	360.16	7.11	-40.81
O=C1[N-]N=NN1C1=CC=C(C2=CC=C(CN3CCS(=O)(=O)CC3)C=C2)C=C1	REAL300020252503	0	45	-1.0	-48.66	370.37	1.98	-46.68
O=C1[N-]N=NN1C1=CC=C(C2=CC=CC(CN3C=CC=N3)=C2)C=C1	REAL300020252504	0	37	-1.0	-46.71	318.81	6.11	-40.60
COCCC[N@H+](C)CCOC1=CC=C(C2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300020252505	0	53	0.0	-71.50	416.12	6.63	-64.87
COCCC[N@@H+](C)CCOC1=CC=C(C2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300020252505	1	53	0.0	-71.50	416.10	6.61	-64.89
CC1CC[NH+](CCOC2=CC=CC(C3=CC=C(N4N=N[N-]C4=O)C=C3)=C2)CC1	REAL300020252506	0	53	0.0	-65.32	405.54	8.59	-56.73
CCC1CCC[N@@H+]1CC1=CC=C(C2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300020252507	0	49	0.0	-64.21	371.86	8.76	-55.45
CCC1CCC[N@H+]1CC1=CC=C(C2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300020252507	1	49	0.0	-65.56	370.92	8.40	-57.16
O=C1[N-]N=NN1C1=CC=C(C2=CC(CN3C=CC=N3)=CC=C2F)C=C1	REAL300020252508	0	37	-1.0	-43.00	330.10	6.35	-36.65
COC1=CC=C(C2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1C[NH+](C)C	REAL300020252509	0	43	0.0	-62.17	336.76	5.95	-56.22
O=C1[N-]N=NN1C1=CC=C(C2=CC=CC(C3=NC=CN3)=C2)C=C1	REAL300020252510	0	34	-1.0	-48.72	293.69	4.99	-43.73
C[NH+](C)CC1=CC=C(C2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1F	REAL300020252511	0	39	0.0	-66.18	314.40	6.25	-59.93
CN(C)CC1=CC=C(C2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1F	REAL300020252511	1	38	-1.0	-41.13	317.73	3.95	-37.18
O=C1[N-]N=NN1C1=CC=C(C2=CC=C(N3CCCC3)N=C2)C=C1	REAL300020252512	0	38	-1.0	-40.53	309.05	4.39	-36.14
CN(CC1=CC=CC(C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1)C1=CC=CC=C1	REAL300020252513	0	45	-1.0	-42.91	363.24	8.66	-34.25
COC1=CC(C2=CC=C(N3N=N[N-]C3=O)C=C2)=CC=C1Cl	REAL300020252514	0	31	-1.0	-39.71	280.52	4.33	-35.38
O=C1[N-]N=NN1C1=CC=C(C2=CC=CC(OC3CCCC3)=C2)C=C1	REAL300020252515	0	41	-1.0	-41.54	329.69	6.67	-34.87
CCOC1=CC=C(C2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1OCC	REAL300020252516	0	41	-1.0	-42.32	337.40	5.52	-36.80
CC(C)CCOC1=CC=C(C2=CC=C(N3N=N[N-]C3=O)C=C2)C=C1	REAL300020252517	0	43	-1.0	-40.19	346.90	6.80	-33.39
O=C1[N-]N=NN1C1=CC=C(C2=CC3=C(C=C2)OC2=C3C=CC=C2)C=C1	REAL300020252518	0	36	-1.0	-43.67	309.24	7.17	-36.50
CC1=C2SC(C3=CC=C(N4N=N[N-]C4=O)C=C3)=CC2=CC=C1	REAL300020252519	0	33	-1.0	-39.60	295.25	6.72	-32.88
O=C1[N-]N=NN1C1=CC=C(C2=CC=C(C[NH+]3CCCCC3)C=C2)C=C1	REAL300020252520	0	46	0.0	-67.67	354.63	8.18	-59.49
O=C1[N-]N=NN1C1=CC=C(C2=CC=C(C(F)(F)F)C(F)=C2)C=C1	REAL300020252521	0	30	-1.0	-39.80	279.28	5.53	-34.27
O=C1[N-]N=NN1C1=CC=C(C2=CC=C(OCCC[NH+]3CCCCC3)C=C2)C=C1	REAL300020252522	0	53	0.0	-68.94	406.97	8.66	-60.28
CC(C)CCOC1=CC=CC(C2=CC=C(N3N=N[N-]C3=O)C=C2)=C1	REAL300020252523	0	43	-1.0	-41.28	346.92	6.79	-34.49
COC1=CC=C(C2=CC=NC=C2)C=C1C1=CC=C(N2N=N[N-]C2=O)C=C1	REAL300020252524	0	40	-1.0	-44.26	338.33	5.77	-38.49
O=C1[N-]N=NN1C1=CC=C(C2=CC=CC(OCCC3=CC=CC=C3)=C2)C=C1	REAL300020252525	0	44	-1.0	-41.77	367.76	8.52	-33.25
O=C1[N-]N=NN1C1=CC=C(C2=CC=CC=C2OCCC2=CC=CC=C2)C=C1	REAL300020252526	0	44	-1.0	-42.90	372.36	8.87	-34.03
O=C1[N-]N=NN1C1=CC=C(C2=CC(F)=CC=C2OCC2CCCCO2)C=C1	REAL300020252527	0	45	-1.0	-43.86	372.51	6.42	-37.44
O=C1[N-]N=NN1C1=CC=C(C2=CC(F)=CC=C2OCC2CCOCC2)C=C1	REAL300020252528	0	45	-1.0	-41.94	371.63	6.08	-35.86