CC(C)(C)OC(=O)NC1(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300020145529	0	50	-1.0	-47.29	390.00	4.00	-43.29
CC(C)(C)OC(=O)NC1(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020145529	1	50	-1.0	-47.28	390.05	4.03	-43.25
CC(C)(C)OC(=O)N1CCC[C@@H](CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020145530	0	56	-1.0	-58.75	417.43	6.41	-52.34
CC(C)(C)OC(=O)N1CCC[C@@H](CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020145530	1	56	-1.0	-58.73	417.49	6.42	-52.31
O=C(C1=CC=CC=C1CN1C=CN=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145531	0	42	-1.0	-56.14	343.26	4.81	-51.33
O=C(C1=CC=CC=C1CN1C=CN=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145531	1	42	-1.0	-56.13	343.20	4.79	-51.34
O=C(C1=CC=CC=C1CN1C=CN=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145532	0	42	-1.0	-56.14	343.26	4.81	-51.33
O=C(C1=CC=CC=C1CN1C=CN=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145532	1	42	-1.0	-56.13	343.20	4.79	-51.34
CC(C)(C)OC(=O)NC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC2(CCC2)C1	REAL300020145533	0	57	-1.0	-52.58	429.37	6.22	-46.36
CC(C)(C)OC(=O)NC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC2(CCC2)C1	REAL300020145533	1	57	-1.0	-52.50	429.43	6.24	-46.26
CC(C)(OC1=CC=C(C(F)(F)F)C=C1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145534	0	46	-1.0	-47.68	360.08	6.57	-41.11
CC(C)(OC1=CC=C(C(F)(F)F)C=C1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145534	1	46	-1.0	-47.71	360.13	6.59	-41.12
O=C(C(C1=CC=CC=C1)C1=CC=C(Cl)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145535	0	46	-1.0	-47.71	378.40	9.06	-38.65
O=C(C(C1=CC=CC=C1)C1=CC=C(Cl)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145535	1	46	-1.0	-47.75	378.46	9.09	-38.66
O=C(C1CCC2CCCC[N@@H+]21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145536	0	46	0.0	-59.48	334.60	5.93	-53.55
O=C(C1CCC2CCCC[N@H+]21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145536	1	46	0.0	-61.20	329.99	5.63	-55.57
O=C(C1=C2N=CC=C(C3=CC=CN=C3)N2N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145537	0	44	-1.0	-56.84	370.62	5.23	-51.61
O=C(C1=C2N=CC=C(C3=CC=CN=C3)N2N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145537	1	44	-1.0	-56.88	370.56	5.21	-51.67
COC1=CC=C(CNC(=O)C=CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020145538	0	48	-1.0	-46.38	396.34	3.71	-42.67
COC1=CC=C(CNC(=O)C=CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020145538	1	48	-1.0	-46.39	396.40	3.74	-42.65
O=C(C1C[N@H+](CC2=CC=CC=C2)CC12CCOC2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145539	0	57	0.0	-73.78	416.55	7.12	-66.66
O=C(C1C[N@@H+](CC2=CC=CC=C2)CC12CCOC2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145539	1	57	0.0	-75.11	419.94	6.96	-68.15
O=C(C1C[N@H+](CC2=CC=CC=C2)CC12CCOC2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145539	1	57	0.0	-73.80	416.61	7.14	-66.66
O=C(C1C[N@@H+](CC2=CC=CC=C2)CC12CCOC2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145539	1	57	0.0	-75.12	420.00	6.98	-68.14
CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@]2(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020145540	0	55	-1.0	-45.64	413.11	4.29	-41.35
CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@]2(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020145540	1	55	-1.0	-45.62	413.16	4.32	-41.30
CC(C)(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=NC=CS1	REAL300020145541	0	38	-1.0	-43.96	303.11	3.19	-40.77
CC(C)(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=NC=CS1	REAL300020145541	1	38	-1.0	-43.97	303.06	3.16	-40.81
O=C([C@@H]1C[C@H]1C1=CSC(Br)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145542	0	37	-1.0	-46.79	334.47	6.46	-40.33
O=C([C@@H]1C[C@H]1C1=CSC(Br)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145542	1	37	-1.0	-46.81	334.53	6.48	-40.33
O=C(C1=CC=C(OC2CC2(F)F)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145543	0	41	-1.0	-47.83	343.76	5.58	-42.25
O=C(C1=CC=C(OC2CC2(F)F)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145543	1	41	-1.0	-47.82	343.81	5.61	-42.21
O=C(C1=CC=C(OC(F)(F)F)C(Cl)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145544	0	37	-1.0	-41.66	332.39	4.79	-36.87
O=C(C1=CC=C(OC(F)(F)F)C(Cl)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145544	1	37	-1.0	-41.66	332.45	4.81	-36.85
COC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=C1Br	REAL300020145545	0	37	-1.0	-44.53	319.77	4.39	-40.14
COC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=C1Br	REAL300020145545	1	37	-1.0	-44.49	319.83	4.41	-40.08
O=C(C1C2CC3=CC=CC=C3C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145546	0	41	-1.0	-44.69	328.18	7.30	-37.39
O=C(C1C2CC3=CC=CC=C3C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145546	1	41	-1.0	-44.68	328.23	7.32	-37.36
CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=C1OC(F)(F)F	REAL300020145547	0	40	-1.0	-42.93	336.45	4.98	-37.95
CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=C1OC(F)(F)F	REAL300020145547	1	40	-1.0	-42.96	336.51	5.01	-37.95
O=C(C1COC2=CC(F)=CC=C2C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145548	0	41	-1.0	-44.31	331.46	5.23	-39.08
O=C(C1COC2=CC(F)=CC=C2C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145548	1	41	-1.0	-44.27	331.52	5.25	-39.02
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C(S(C)(=O)=O)O1	REAL300020145549	0	39	-1.0	-53.37	335.40	0.92	-52.45
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C(S(C)(=O)=O)O1	REAL300020145549	1	39	-1.0	-53.40	335.45	0.94	-52.46
CC1=CC=CC=C1COC(C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145550	0	46	-1.0	-51.79	360.55	6.99	-44.80
CC1=CC=CC=C1COC(C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145550	1	46	-1.0	-51.82	360.61	7.02	-44.80
CSC1=CC(C)=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)O1	REAL300020145551	0	37	-1.0	-42.97	315.11	4.66	-38.31
CSC1=CC(C)=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)O1	REAL300020145551	1	37	-1.0	-42.94	315.16	4.69	-38.25
COC(=O)C1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC2(CCC2)C1	REAL300020145552	0	46	-1.0	-42.31	357.12	5.82	-36.49
COC(=O)C1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC2(CCC2)C1	REAL300020145552	1	46	-1.0	-42.36	357.18	5.84	-36.52
O=C([C@@H]1CCCC[C@H]1C(F)(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145553	0	42	-1.0	-47.26	327.77	5.66	-41.60
O=C([C@@H]1CCCC[C@H]1C(F)(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145553	1	42	-1.0	-47.21	327.83	5.69	-41.52
O=C(C1=CSC(C(F)(F)F)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145554	0	33	-1.0	-37.80	299.96	4.54	-33.26
O=C(C1=CSC(C(F)(F)F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145554	1	33	-1.0	-37.81	300.02	4.57	-33.24
O=C([C@@H]1CC[C@@H](C2=CC=CC=C2)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145555	0	46	-1.0	-46.96	351.55	7.64	-39.32
O=C([C@@H]1CC[C@@H](C2=CC=CC=C2)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145555	1	46	-1.0	-46.98	351.61	7.66	-39.32
COCCCN1C=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=N1	REAL300020145556	0	43	-1.0	-51.96	348.94	2.87	-49.09
COCCCN1C=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=N1	REAL300020145556	1	43	-1.0	-51.99	348.88	2.85	-49.14
CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=NN1C1CCOCC1	REAL300020145557	0	47	-1.0	-48.73	366.73	4.35	-44.38
CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=NN1C1CCOCC1	REAL300020145557	1	47	-1.0	-48.68	366.79	4.37	-44.31
CN1C=C(N2CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)CC2=O)C=N1	REAL300020145558	0	44	-1.0	-57.16	350.27	3.33	-53.83
CN1C=C(N2CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)CC2=O)C=N1	REAL300020145558	1	44	-1.0	-57.16	350.22	3.31	-53.85
CC(CC(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=NC=C1	REAL300020145559	0	41	-1.0	-46.36	324.82	4.94	-41.42
CC(CC(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=NC=C1	REAL300020145559	1	41	-1.0	-46.36	324.88	4.96	-41.40
O=C(C1=C2C=CSC2=CN=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145560	0	35	-1.0	-45.23	301.60	3.92	-41.31
O=C(C1=C2C=CSC2=CN=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145560	1	35	-1.0	-45.22	301.54	3.90	-41.32
CCOC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCOCC1	REAL300020145561	0	44	-1.0	-42.61	323.78	2.43	-40.18
CCOC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCOCC1	REAL300020145561	1	44	-1.0	-42.63	323.83	2.45	-40.18
C[C@H](OC1=CC=C(Cl)C=C1Cl)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145562	0	40	-1.0	-51.05	350.54	6.76	-44.29
C[C@H](OC1=CC=C(Cl)C=C1Cl)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145562	1	40	-1.0	-51.01	350.60	6.79	-44.22
COC1=CC=C(CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C(Br)=C1	REAL300020145563	0	43	-1.0	-46.22	362.73	6.02	-40.20
COC1=CC=C(CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C(Br)=C1	REAL300020145563	1	43	-1.0	-46.26	362.78	6.04	-40.22
O=C(C1=CC=CC(CN2C=CN=N2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145564	0	42	-1.0	-51.42	346.58	4.83	-46.59
O=C(C1=CC=CC(CN2C=CN=N2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145564	1	42	-1.0	-51.50	346.52	4.80	-46.70
O=C(C1=CC2=CC(C(F)(F)F)=CC=C2S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145565	0	39	-1.0	-37.30	345.46	6.76	-30.54
O=C(C1=CC2=CC(C(F)(F)F)=CC=C2S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145565	1	39	-1.0	-37.33	345.52	6.78	-30.55
O=C(C1=CC(F)=C(OCC2=CC=CC=C2)C(F)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145566	0	47	-1.0	-43.63	397.54	7.98	-35.65
O=C(C1=CC(F)=C(OCC2=CC=CC=C2)C(F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145566	1	47	-1.0	-43.65	397.60	8.01	-35.64
O=C(C1=C(Br)N=C2COCCN21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145567	0	38	-1.0	-46.34	330.95	2.79	-43.55
O=C(C1=C(Br)N=C2COCCN21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145567	1	38	-1.0	-46.34	331.01	2.81	-43.53
CC1=CC=CC=C1COCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145568	0	43	-1.0	-52.17	345.35	6.55	-45.62
CC1=CC=CC=C1COCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145568	1	43	-1.0	-52.19	345.41	6.58	-45.61
CC1=CC=CC(COCC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020145569	0	43	-1.0	-51.35	350.58	6.53	-44.82
CC1=CC=CC(COCC(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020145569	1	43	-1.0	-51.36	350.64	6.55	-44.81
O=C(C1=C2SC=CC2=CC=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145570	0	35	-1.0	-43.18	301.90	4.75	-38.43
O=C(C1=C2SC=CC2=CC=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145570	1	35	-1.0	-43.19	301.84	4.72	-38.47
O=C(C1CC(=O)N(C2=CC=C(F)C(F)=C2)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145571	0	44	-1.0	-47.69	358.41	5.67	-42.02
O=C(C1CC(=O)N(C2=CC=C(F)C(F)=C2)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145571	1	44	-1.0	-47.66	358.47	5.69	-41.97
O=C([C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145572	0	42	-1.0	-64.44	324.67	3.89	-60.55
O=C([C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145572	1	42	-1.0	-64.39	324.72	3.92	-60.47
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=N1	REAL300020145573	0	39	-2.0	-94.29	339.32	0.57	-93.72
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=N1	REAL300020145573	1	39	-2.0	-94.28	339.26	0.55	-93.73
CS(=O)(=O)NC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=N1	REAL300020145573	1	40	-1.0	-53.40	338.77	0.69	-52.71
CS(=O)(=O)NC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=N1	REAL300020145573	1	40	-1.0	-53.43	338.71	0.67	-52.76
O=C(CN1C=CC(C(F)F)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145574	0	36	-1.0	-55.29	309.95	3.65	-51.64
O=C(CN1C=CC(C(F)F)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145574	1	36	-1.0	-55.26	310.01	3.67	-51.59
O=C(C1=CC=CC2=CC(=O)NC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145575	0	39	-1.0	-47.90	324.52	3.72	-44.18
O=C(C1=CC=CC2=CC(=O)NC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145575	1	39	-1.0	-47.90	324.58	3.75	-44.15
CC1=CN2C=CN=C2C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020145576	0	39	-1.0	-56.00	322.68	5.86	-50.14
CC1=CN2C=CN=C2C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020145576	1	39	-1.0	-56.01	322.74	5.88	-50.13
O=C(C1=CC=C(SC(F)(F)F)N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145577	0	36	-1.0	-46.30	324.71	4.68	-41.62
O=C(C1=CC=C(SC(F)(F)F)N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145577	1	36	-1.0	-46.29	324.66	4.65	-41.64
O=C(C1=CC=NC(N2CCOCC2)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145578	0	44	-1.0	-42.54	347.96	3.75	-38.79
O=C(C1=CC=NC(N2CCOCC2)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145578	1	44	-1.0	-42.51	347.90	3.72	-38.79
O=C(C1=CSC(C2=CC=C(F)C(Cl)=C2)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145579	0	39	-1.0	-46.73	357.10	6.64	-40.09
O=C(C1=CSC(C2=CC=C(F)C(Cl)=C2)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145579	1	39	-1.0	-46.76	357.04	6.62	-40.14
CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020145580	0	50	-1.0	-54.57	386.18	3.43	-51.14
CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020145580	1	50	-1.0	-54.60	386.24	3.46	-51.14
CC1=CC=C(COCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020145581	0	43	-1.0	-51.35	350.58	6.54	-44.81
CC1=CC=C(COCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020145581	1	43	-1.0	-51.38	350.64	6.56	-44.82
O=C(C1=CC2=C(C=C1Br)OCO2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145582	0	36	-1.0	-44.63	316.38	3.71	-40.92
O=C(C1=CC2=C(C=C1Br)OCO2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145582	1	36	-1.0	-44.63	316.44	3.74	-40.89
O=C(C1=CC(C(F)F)=CC=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145583	0	36	-1.0	-50.21	306.37	5.32	-44.89
O=C(C1=CC(C(F)F)=CC=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145583	1	36	-1.0	-50.22	306.43	5.35	-44.87
O=C(C1=CC=CC=C1)N1CCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020145584	0	47	-1.0	-49.85	364.32	5.41	-44.44
O=C(C1=CC=CC=C1)N1CCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020145584	1	47	-1.0	-49.91	364.38	5.44	-44.47
O=C(C1=C(F)N(C2=CC=CC=C2)N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145585	0	40	-1.0	-48.24	337.37	5.61	-42.63
O=C(C1=C(F)N(C2=CC=CC=C2)N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145585	1	40	-1.0	-48.28	337.32	5.58	-42.70
O=C(C1=C(Cl)C2=CC=CN=C2S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145586	0	35	-1.0	-42.42	317.18	4.43	-37.99
O=C(C1=C(Cl)C2=CC=CN=C2S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145586	1	35	-1.0	-42.41	317.12	4.41	-38.00
CC(C)C[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145587	0	61	0.0	-78.59	450.62	10.00	-68.59
CC(C)C[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145587	1	61	0.0	-75.78	443.83	9.88	-65.90
CC(C)C[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145587	1	61	0.0	-78.61	450.67	10.02	-68.59
CC(C)C[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145587	1	61	0.0	-75.74	443.88	9.91	-65.83
COC1=CC(CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC(OC)=C1O	REAL300020145588	0	48	-1.0	-49.09	385.57	3.27	-45.82
COC1=CC(CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC(OC)=C1O	REAL300020145588	1	48	-1.0	-49.08	385.63	3.29	-45.79
O=C(CC[C@@H]1CC[C@H](C(F)(F)F)O1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145589	0	43	-1.0	-48.55	352.38	4.69	-43.86
O=C(CC[C@@H]1CC[C@H](C(F)(F)F)O1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145589	1	43	-1.0	-48.55	352.44	4.72	-43.83
COC1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1C	REAL300020145590	0	40	-1.0	-47.40	316.96	4.41	-42.99
COC1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1C	REAL300020145590	1	40	-1.0	-47.43	317.01	4.44	-42.99
O=C(C1=CC2=CC=CC=C2N1CC1=CC=NC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145591	0	49	-1.0	-46.76	387.63	8.01	-38.75
O=C(C1=CC2=CC=CC=C2N1CC1=CC=NC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145591	1	49	-1.0	-46.82	387.68	8.03	-38.79
CCC1=CNC(=O)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020145592	0	39	-1.0	-59.67	321.31	2.93	-56.74
CCC1=CNC(=O)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020145592	1	39	-1.0	-59.67	321.37	2.95	-56.72
O=C(C(O)CC1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145593	0	40	-1.0	-45.98	320.79	3.87	-42.11
O=C(C(O)CC1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145593	1	40	-1.0	-45.93	320.84	3.90	-42.03
CCC[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145594	0	58	0.0	-74.78	433.58	9.49	-65.29
CCC[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145594	1	58	0.0	-74.50	435.94	9.63	-64.87
CCC[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145594	1	58	0.0	-74.79	433.64	9.52	-65.27
CCC[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145594	1	58	0.0	-74.53	436.00	9.66	-64.87
CC1=CC(F)=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(F)=C1	REAL300020145595	0	36	-1.0	-49.26	308.21	5.37	-43.89
CC1=CC(F)=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(F)=C1	REAL300020145595	1	36	-1.0	-49.26	308.27	5.40	-43.86
O=C(C1=CC=C(OC2=CC=C(F)C=C2)N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145596	0	43	-1.0	-37.15	361.47	4.82	-32.33
O=C(C1=CC=C(OC2=CC=C(F)C=C2)N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145596	1	43	-1.0	-37.13	361.42	4.80	-32.33
O=C(C1=CC=CC(N2CCCC2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145597	0	45	-1.0	-46.52	348.37	4.95	-41.57
O=C(C1=CC=CC(N2CCCC2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145597	1	45	-1.0	-46.52	348.43	4.97	-41.55
COC1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1OC(C)C	REAL300020145598	0	47	-1.0	-51.98	367.58	6.04	-45.94
COC1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1OC(C)C	REAL300020145598	1	47	-1.0	-52.01	367.64	6.06	-45.95
O=C(C1=C2C=CC=C(Br)N2N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145599	0	36	-1.0	-47.64	320.35	4.74	-42.90
O=C(C1=C2C=CC=C(Br)N2N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145599	1	36	-1.0	-47.61	320.29	4.71	-42.90
O=C(C1=CC=C(OC2=CC=CC=C2F)N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145600	0	43	-1.0	-48.58	362.34	4.76	-43.82
O=C(C1=CC=C(OC2=CC=CC=C2F)N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145600	1	43	-1.0	-48.58	362.28	4.73	-43.85
O=C(C1=CC=C2C(=C1)NC(=O)N2C1CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145601	0	44	-1.0	-50.23	355.32	4.90	-45.33
O=C(C1=CC=C2C(=C1)NC(=O)N2C1CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145601	1	44	-1.0	-50.23	355.37	4.93	-45.30
O=C(C1=CC=C(NC2=CC=CN=C2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145602	0	44	-1.0	-48.59	355.03	4.88	-43.71
O=C(C1=CC=C(NC2=CC=CN=C2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145602	1	44	-1.0	-48.59	355.09	4.90	-43.69
O=C(C1=C2CC(=O)NC2=NC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145603	0	37	-1.0	-47.04	308.98	2.17	-44.87
O=C(C1=C2CC(=O)NC2=NC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145603	1	37	-1.0	-47.02	309.04	2.20	-44.82
O=C(C1=CC2=NC(C(F)(F)F)=CN2C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145604	0	39	-1.0	-44.62	342.81	6.17	-38.45
O=C(C1=CC2=NC(C(F)(F)F)=CN2C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145604	1	39	-1.0	-44.60	342.76	6.14	-38.46
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](C(=O)N3CCCC(C4=N[N-]N=N4)C3)[C@@H]2C1	REAL300020145605	0	54	-1.0	-46.63	408.95	5.99	-40.64
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](C(=O)N3CCCC(C4=NN=N[N-]4)C3)[C@@H]2C1	REAL300020145605	1	54	-1.0	-46.63	409.01	6.01	-40.62
COC(=O)C=CC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)O1	REAL300020145606	0	40	-1.0	-45.03	341.93	4.97	-40.06
COC(=O)C=CC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)O1	REAL300020145606	1	40	-1.0	-45.10	341.99	5.00	-40.10
CC(C)(C)C1=CC=C(C=CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020145607	0	49	-1.0	-38.08	379.56	8.26	-29.82
CC(C)(C)C1=CC=C(C=CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020145607	1	49	-1.0	-38.11	379.62	8.28	-29.83
O=C(C1=C(F)C=CC(F)=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145608	0	33	-1.0	-47.68	302.15	5.13	-42.55
O=C(C1=C(F)C=CC(F)=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145608	1	33	-1.0	-47.71	302.20	5.15	-42.56
CC(C)(C)OC(=O)N1CCCC(CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020145609	0	59	-1.0	-47.90	439.92	7.09	-40.81
CC(C)(C)OC(=O)N1CCCC(CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020145609	1	59	-1.0	-47.88	439.98	7.11	-40.77
CCN1N=CC(Cl)=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145610	0	36	-1.0	-42.99	314.96	3.70	-39.29
CCN1N=CC(Cl)=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145610	1	36	-1.0	-42.99	314.90	3.68	-39.31
COC(=O)C1=C(C)C=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)O1	REAL300020145611	0	39	-1.0	-39.92	325.97	4.08	-35.84
COC(=O)C1=C(C)C=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)O1	REAL300020145611	1	39	-1.0	-39.94	326.03	4.10	-35.84
COC(=O)C1=CN(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)N=C1	REAL300020145612	0	39	-1.0	-55.96	331.72	3.56	-52.40
COC(=O)C1=CN(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)N=C1	REAL300020145612	1	39	-1.0	-55.93	331.66	3.53	-52.40
CC(C)CCC(NC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145613	0	58	-1.0	-43.00	431.66	4.76	-38.24
CC(C)CCC(NC(=O)OC(C)(C)C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145613	1	58	-1.0	-43.04	431.72	4.79	-38.25
C[C@@H](CC(=O)N1CCCC(C2=N[N-]N=N2)C1)NC(=O)OC(C)(C)C	REAL300020145614	0	49	-1.0	-54.19	380.52	3.50	-50.69
C[C@@H](CC(=O)N1CCCC(C2=NN=N[N-]2)C1)NC(=O)OC(C)(C)C	REAL300020145614	1	49	-1.0	-54.21	380.58	3.53	-50.68
CC(C)(C)OC(=O)NC1CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020145615	0	51	-1.0	-49.51	391.83	3.87	-45.64
CC(C)(C)OC(=O)NC1CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020145615	1	51	-1.0	-49.53	391.89	3.90	-45.63
CN1C=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C2=CC=CO2)=N1	REAL300020145616	0	40	-1.0	-54.68	335.33	4.55	-50.13
CN1C=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C2=CC=CO2)=N1	REAL300020145616	1	40	-1.0	-54.71	335.28	4.52	-50.19
NC(=O)C1=CC=C(C=CC(=O)N2CCCC(C3=N[N-]N=N3)C2)O1	REAL300020145617	0	38	-1.0	-48.14	326.03	1.01	-47.13
NC(=O)C1=CC=C(C=CC(=O)N2CCCC(C3=NN=N[N-]3)C2)O1	REAL300020145617	1	38	-1.0	-48.08	326.09	1.03	-47.05
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)OC(S(N)(=O)=O)=C1	REAL300020145618	0	38	-1.0	-46.46	325.64	-1.67	-48.13
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)OC(S(N)(=O)=O)=C1	REAL300020145618	1	38	-1.0	-46.50	325.70	-1.64	-48.14
CSC1=CC=C(O)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020145619	0	38	-1.0	-48.23	321.18	2.90	-45.33
CSC1=CC=C(O)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020145619	1	38	-1.0	-48.21	321.24	2.92	-45.29
COC1CN(C(=O)OC(C)(C)C)C(C)(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020145620	0	57	-1.0	-52.96	420.51	4.68	-48.28
COC1CN(C(=O)OC(C)(C)C)C(C)(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020145620	1	57	-1.0	-52.98	420.57	4.71	-48.27
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145621	0	51	-1.0	-57.80	388.46	6.49	-51.31
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145621	1	51	-1.0	-57.85	388.52	6.52	-51.33
CC1=CC=C(C2=NN(C)C=C2C(=O)N2CCCC(C3=NN=N[N-]3)C2)O1	REAL300020145622	0	43	-1.0	-44.72	357.27	5.37	-39.35
CC1=CC=C(C2=NN(C)C=C2C(=O)N2CCCC(C3=N[N-]N=N3)C2)O1	REAL300020145622	1	43	-1.0	-44.76	357.21	5.34	-39.42
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C2=CC=CC=C2)CCCCCC1	REAL300020145623	0	52	-1.0	-47.50	364.97	8.08	-39.42
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C2=CC=CC=C2)CCCCCC1	REAL300020145623	1	52	-1.0	-47.51	365.03	8.10	-39.41
O=C(NC1=C(F)C=CC=C1F)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145624	0	37	-1.0	-43.59	315.67	2.97	-40.62
O=C(NC1=C(F)C=CC=C1F)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145624	1	37	-1.0	-43.58	315.72	3.00	-40.58
CC1=CC(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C(C)N1C1=CC=CC=C1	REAL300020145625	0	50	-1.0	-51.03	400.65	9.42	-41.61
CC1=CC(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)=C(C)N1C1=CC=CC=C1	REAL300020145625	1	50	-1.0	-51.01	400.71	9.45	-41.56
CC1=CC=CC(N2C=NC3=CC(C(=O)N4CCCC(C5=NN=N[N-]5)C4)=CC=C32)=C1	REAL300020145626	0	49	-1.0	-43.24	398.66	9.75	-33.49
CC1=CC=CC(N2C=NC3=CC(C(=O)N4CCCC(C5=N[N-]N=N5)C4)=CC=C32)=C1	REAL300020145626	1	49	-1.0	-43.21	398.60	9.73	-33.48
CN1C(C(F)(F)F)=NC2=CN=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C21	REAL300020145627	0	41	-1.0	-41.90	346.20	3.92	-37.98
CN1C(C(F)(F)F)=NC2=CN=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C21	REAL300020145627	1	41	-1.0	-41.92	346.14	3.89	-38.03
O=C(C1CCC2=CC(F)=CC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145628	0	40	-1.0	-48.24	323.11	6.45	-41.79
O=C(C1CCC2=CC(F)=CC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145628	1	40	-1.0	-48.26	323.17	6.48	-41.78
CC1=CC=C([C@@H]2C[C@H]2C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1C	REAL300020145629	0	46	-1.0	-47.24	360.49	7.96	-39.28
CC1=CC=C([C@@H]2C[C@H]2C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1C	REAL300020145629	1	46	-1.0	-47.21	360.54	7.99	-39.22
CCOCCN1C=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=N1	REAL300020145630	0	43	-1.0	-48.59	349.30	3.06	-45.53
CCOCCN1C=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=N1	REAL300020145630	1	43	-1.0	-48.58	349.24	3.03	-45.55
O=C([C@@H]1CC2=CC=CC=C2O[C@H]1C(F)(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145631	0	44	-1.0	-44.68	358.80	6.15	-38.53
O=C([C@@H]1CC2=CC=CC=C2O[C@H]1C(F)(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145631	1	44	-1.0	-44.64	358.86	6.18	-38.46
O=C(C1=C(C(F)(F)F)SC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145632	0	33	-1.0	-49.42	298.50	4.51	-44.91
O=C(C1=C(C(F)(F)F)SC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145632	1	33	-1.0	-49.40	298.56	4.53	-44.87
CC1=NN(C2CCOCC2)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020145633	0	47	-1.0	-44.46	363.18	3.81	-40.65
CC1=NN(C2CCOCC2)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020145633	1	47	-1.0	-44.47	363.24	3.84	-40.63
CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145634	0	52	-1.0	-46.03	387.10	1.93	-44.10
CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145634	1	52	-1.0	-46.02	387.16	1.96	-44.06
CN1N=C(Cl)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1Cl	REAL300020145635	0	33	-1.0	-44.45	310.56	3.22	-41.23
CN1N=C(Cl)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1Cl	REAL300020145635	1	33	-1.0	-44.45	310.51	3.20	-41.25
O=C(C1=C(C(F)(F)F)N(C2=CC=CC=N2)N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145636	0	42	-1.0	-50.98	357.88	6.24	-44.74
O=C(C1=C(C(F)(F)F)N(C2=CC=CC=N2)N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145636	1	42	-1.0	-51.02	357.83	6.21	-44.81
O=C(C1CCCC1CC1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145637	0	49	-1.0	-47.05	369.98	8.82	-38.23
O=C(C1CCCC1CC1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145637	1	49	-1.0	-47.09	370.03	8.84	-38.25
O=C(C1=CC=NN1CCC1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145638	0	46	-1.0	-46.16	370.15	6.86	-39.30
O=C(C1=CC=NN1CCC1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145638	1	46	-1.0	-46.15	370.10	6.84	-39.31
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C2CCCC2)CCNC1=O	REAL300020145639	0	47	-1.0	-56.47	341.96	2.29	-54.18
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C2CCCC2)CCNC1=O	REAL300020145639	1	47	-1.0	-56.47	342.01	2.31	-54.16
CCOC1=CC=CC(C=CC(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020145640	0	44	-1.0	-38.38	354.83	6.15	-32.23
CCOC1=CC=CC(C=CC(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020145640	1	44	-1.0	-38.40	354.89	6.18	-32.22
COC1=CC=C(C=CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020145641	0	41	-1.0	-48.01	332.88	5.24	-42.77
COC1=CC=C(C=CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020145641	1	41	-1.0	-48.03	332.94	5.27	-42.76
O=C(CC1=CC=C(F)C(Cl)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145642	0	36	-1.0	-48.46	317.26	6.00	-42.46
O=C(CC1=CC=C(F)C(Cl)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145642	1	36	-1.0	-48.43	317.32	6.02	-42.41
CC1(C)CC1(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020145643	0	46	-1.0	-46.57	353.18	7.37	-39.20
CC1(C)CC1(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020145643	1	46	-1.0	-46.58	353.24	7.40	-39.18
O=C(CCOC1=CC=C(Cl)C(F)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145644	0	40	-1.0	-47.28	347.16	5.65	-41.63
O=C(CCOC1=CC=C(Cl)C(F)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145644	1	40	-1.0	-47.30	347.22	5.68	-41.62
CC(=CC(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CS1	REAL300020145645	0	37	-1.0	-44.06	312.08	5.78	-38.28
CC(=CC(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CS1	REAL300020145645	1	37	-1.0	-44.04	312.14	5.81	-38.23
O=C(C1=CSC=C1C(F)(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145646	0	33	-1.0	-38.53	297.29	4.49	-34.04
O=C(C1=CSC=C1C(F)(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145646	1	33	-1.0	-38.53	297.34	4.52	-34.01
CCCC(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=C(Cl)C=C1	REAL300020145647	0	45	-1.0	-46.81	367.63	7.74	-39.07
CCCC(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=C(Cl)C=C1	REAL300020145647	1	45	-1.0	-46.80	367.69	7.77	-39.03
CC1=NN(C2CCOCC2)C(C)=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145648	0	50	-1.0	-47.29	393.00	4.48	-42.81
CC1=NN(C2CCOCC2)C(C)=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145648	1	50	-1.0	-47.27	393.06	4.51	-42.76
CCC(NC1=CC=CN=C1Cl)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145649	0	43	-1.0	-50.77	343.33	3.29	-47.48
CCC(NC1=CC=CN=C1Cl)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145649	1	43	-1.0	-50.75	343.27	3.26	-47.49
O=C(C1CS(=O)(=O)CC1C(F)(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145650	0	39	-1.0	-54.53	328.69	1.05	-53.48
O=C(C1CS(=O)(=O)CC1C(F)(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145650	1	39	-1.0	-54.52	328.74	1.08	-53.44
CC(C)(C)OC(=O)C1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CCCCCC1	REAL300020145651	0	57	-1.0	-46.10	384.85	7.48	-38.62
CC(C)(C)OC(=O)C1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CCCCCC1	REAL300020145651	1	57	-1.0	-46.13	384.91	7.51	-38.62
CCOCCOCCCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145652	0	46	-1.0	-51.67	367.16	3.49	-48.18
CCOCCOCCCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145652	1	46	-1.0	-51.65	367.22	3.51	-48.14
COC1=CC=CC(OC(F)(F)F)=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145653	0	41	-1.0	-51.03	349.14	3.78	-47.25
COC1=CC=CC(OC(F)(F)F)=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145653	1	41	-1.0	-50.96	349.20	3.80	-47.16
O=C(N1CCCC(C2=N[N-]N=N2)C1)C(F)(F)N1C=C(C2=CC=CC=C2)N=N1	REAL300020145654	0	42	-1.0	-40.77	356.15	5.01	-35.76
O=C(N1CCCC(C2=NN=N[N-]2)C1)C(F)(F)N1C=C(C2=CC=CC=C2)N=N1	REAL300020145654	1	42	-1.0	-40.82	356.21	5.03	-35.79
COC1=CC=CC(C(OC)C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020145655	0	44	-1.0	-48.28	350.93	4.57	-43.71
COC1=CC=CC(C(OC)C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020145655	1	44	-1.0	-48.32	350.99	4.60	-43.72
COCCOCCOCCCC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145656	0	50	-1.0	-53.06	400.79	2.85	-50.21
COCCOCCOCCCC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145656	1	50	-1.0	-53.07	400.85	2.87	-50.20
COC1=CC2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C2C=C1OC	REAL300020145657	0	47	-1.0	-42.07	374.56	5.92	-36.15
COC1=CC2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C2C=C1OC	REAL300020145657	1	47	-1.0	-42.12	374.62	5.95	-36.17
CSC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C(C)O1	REAL300020145658	0	37	-1.0	-43.65	316.51	4.56	-39.09
CSC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C(C)O1	REAL300020145658	1	37	-1.0	-43.63	316.57	4.59	-39.04
O=C(CC1(N2C=NN=N2)CCOCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145659	0	45	-1.0	-62.44	344.91	3.60	-58.84
O=C(CC1(N2C=NN=N2)CCOCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145659	1	45	-1.0	-62.49	344.85	3.57	-58.92
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=N1	REAL300020145660	0	46	-2.0	-110.19	381.10	5.34	-104.85
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=N1	REAL300020145660	1	46	-2.0	-110.15	381.16	5.37	-104.78
CC(=O)NC1=CNC(=O)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020145661	0	40	-1.0	-58.40	332.52	0.34	-58.06
CC(=O)NC1=CNC(=O)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020145661	1	40	-1.0	-58.35	332.58	0.36	-57.99
CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C(N2C=CC=C2)S1	REAL300020145662	0	41	-1.0	-49.06	341.60	7.06	-42.00
CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C(N2C=CC=C2)S1	REAL300020145662	1	41	-1.0	-49.06	341.66	7.09	-41.97
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145663	0	39	-2.0	-102.55	325.65	4.16	-98.39
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145663	1	39	-2.0	-102.53	325.59	4.13	-98.40
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145663	1	39	-2.0	-102.78	325.80	4.23	-98.55
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145663	1	39	-2.0	-102.79	325.75	4.21	-98.58
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145664	0	36	-2.0	-85.55	310.36	1.87	-83.68
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145664	1	36	-2.0	-85.51	310.42	1.88	-83.63
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145664	1	36	-2.0	-85.52	310.41	1.90	-83.62
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145664	1	36	-2.0	-85.52	310.48	1.91	-83.61
O=C(COCC1=NC(C2=CC=CC=C2)=NO1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145665	0	45	-1.0	-58.97	380.11	4.52	-54.45
O=C(COCC1=NC(C2=CC=CC=C2)=NO1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145665	1	45	-1.0	-59.02	380.05	4.49	-54.53
O=C(CNC(=O)C1=CN=C(Cl)C(Cl)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145666	0	39	-1.0	-44.09	356.15	2.35	-41.74
O=C(CNC(=O)C1=CN=C(Cl)C(Cl)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145666	1	39	-1.0	-44.07	356.10	2.33	-41.74
O=C(C1=C(C(F)(F)F)C=NN1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145667	0	33	-1.0	-44.76	287.84	2.27	-42.49
O=C(C1=C(C(F)(F)F)C=NN1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145667	1	33	-1.0	-44.78	287.90	2.30	-42.48
O=C(CC1=CC(C2CC2)=NO1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145668	0	39	-1.0	-52.36	321.80	5.12	-47.24
O=C(CC1=CC(C2CC2)=NO1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145668	1	39	-1.0	-52.35	321.85	5.15	-47.20
O=C(CCCN1C(=O)[N-]NC1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145669	0	39	-2.0	-93.45	328.73	-0.04	-93.49
O=C(CCCN1C(=O)[N-]NC1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145669	1	39	-2.0	-93.47	328.79	-0.02	-93.49
CN1C=CC(NC2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C2)=N1	REAL300020145670	0	45	-1.0	-50.25	361.93	5.42	-44.83
CN1C=CC(NC2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C2)=N1	REAL300020145670	1	45	-1.0	-50.21	361.88	5.39	-44.82
CC1=NOC(C2(C(=O)N3CCCC(C4=N[N-]N=N4)C3)CC2)=C1	REAL300020145671	0	39	-1.0	-42.78	320.90	4.71	-38.07
CC1=NOC(C2(C(=O)N3CCCC(C4=NN=N[N-]4)C3)CC2)=C1	REAL300020145671	1	39	-1.0	-42.76	320.95	4.73	-38.03
O=C(CC1CCN(CC(F)(F)F)CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145672	0	47	-1.0	-48.12	366.40	4.52	-43.60
O=C(CC1CCN(CC(F)(F)F)CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145672	1	47	-1.0	-48.12	366.46	4.54	-43.58
O=C(C1CCCC2CCC[N@@H+]21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145673	0	46	0.0	-61.82	322.70	5.24	-56.58
O=C(C1CCCC2CCC[N@H+]21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145673	1	46	0.0	-63.36	325.80	5.61	-57.75
CC(C)(C)OC(=O)C1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C)(C)C1(C)C	REAL300020145674	0	57	-1.0	-44.02	406.57	7.25	-36.77
CC(C)(C)OC(=O)C1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C)(C)C1(C)C	REAL300020145674	1	57	-1.0	-44.05	406.63	7.28	-36.77
O=C(C(O)C(O)(C1=CC=CC=C1)C(F)(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145675	0	44	-1.0	-49.15	345.23	2.57	-46.58
O=C(C(O)C(O)(C1=CC=CC=C1)C(F)(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145675	1	44	-1.0	-49.13	345.28	2.59	-46.54
CN1C=NC2=CN=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=C21	REAL300020145676	0	38	-1.0	-45.50	308.38	3.77	-41.73
CN1C=NC2=CN=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=C21	REAL300020145676	1	38	-1.0	-45.54	308.44	3.80	-41.74
O=C(C1CCCN1C1=NC=CC=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145677	0	43	-1.0	-54.17	340.37	4.80	-49.37
O=C(C1CCCN1C1=NC=CC=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145677	1	43	-1.0	-54.20	340.31	4.77	-49.43
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(I)=NN1	REAL300020145678	0	33	-1.0	-45.38	304.05	2.56	-42.82
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(I)=NN1	REAL300020145678	1	33	-1.0	-45.40	304.11	2.59	-42.81
O=C(C1=CC=C(NN2C=CN=C2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145679	0	42	-1.0	-50.82	340.85	5.55	-45.27
O=C(C1=CC=C(NN2C=CN=C2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145679	1	42	-1.0	-50.85	340.90	5.57	-45.28
O=C(CCC1=NN=C(C2CC2)O1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145680	0	41	-1.0	-48.03	339.57	0.82	-47.21
O=C(CCC1=NN=C(C2CC2)O1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145680	1	41	-1.0	-48.04	339.62	0.84	-47.20
CC(C)N1C=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C(C2CCOCC2)=N1	REAL300020145681	0	53	-1.0	-48.17	407.95	4.96	-43.21
CC(C)N1C=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C(C2CCOCC2)=N1	REAL300020145681	1	53	-1.0	-48.15	408.01	4.99	-43.16
O=C(C1=CN(CCO)N=C1C1CCOCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145682	0	51	-1.0	-48.96	400.67	1.09	-47.87
O=C(C1=CN(CCO)N=C1C1CCOCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145682	1	51	-1.0	-48.95	400.72	1.11	-47.84
CC(=O)NC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=N1	REAL300020145683	0	39	-1.0	-50.90	320.20	2.96	-47.94
CC(=O)NC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=N1	REAL300020145683	1	39	-1.0	-50.93	320.14	2.94	-47.99
CC1=C(NCC(C)(C)C)C=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145684	0	53	-1.0	-45.44	398.96	6.92	-38.52
CC1=C(NCC(C)(C)C)C=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145684	1	53	-1.0	-45.43	399.01	6.94	-38.49
O=C(C1=CC=CC(CN2C=NC=N2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145685	0	42	-1.0	-50.46	347.49	7.49	-42.97
O=C(C1=CC=CC(CN2C=NC=N2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145685	1	42	-1.0	-50.48	347.44	7.46	-43.02
O=C(C1=NC=C2C(F)=CC=CN21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145686	0	36	-1.0	-45.15	300.97	5.85	-39.30
O=C(C1=NC=C2C(F)=CC=CN21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145686	1	36	-1.0	-45.11	300.92	5.82	-39.29
O=C(CC1=CNC2=CC=C(Br)C=C12)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145687	0	40	-1.0	-50.91	347.94	6.11	-44.80
O=C(CC1=CNC2=CC=C(Br)C=C12)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145687	1	40	-1.0	-50.91	348.00	6.14	-44.77
O=C(C=CC=C(Cl)Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145688	0	31	-1.0	-35.68	290.29	4.67	-31.01
O=C(C=CC=C(Cl)Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145688	1	31	-1.0	-35.73	290.35	4.69	-31.04
CN1CCCCC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1=O	REAL300020145689	0	43	-1.0	-39.62	312.44	3.84	-35.78
CN1CCCCC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1=O	REAL300020145689	1	43	-1.0	-39.60	312.50	3.87	-35.73
O=C([C@@H]1CSC(C2=CC=CC=C2)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145690	0	41	-1.0	-50.79	344.36	4.59	-46.20
O=C([C@@H]1CSC(C2=CC=CC=C2)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145690	1	41	-1.0	-50.72	344.41	4.62	-46.10
O=C(C1=CC2=C(CCCC2O)NC1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145691	0	44	-1.0	-53.19	341.73	0.64	-52.55
O=C(C1=CC2=C(CCCC2O)NC1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145691	1	44	-1.0	-53.14	341.79	0.67	-52.47
NC1=C2N=CN(CCC(=O)N3CCCC(C4=N[N-]N=N4)C3)C2=NC=N1	REAL300020145692	0	42	-1.0	-49.60	348.16	4.80	-44.80
NC1=C2N=CN(CCC(=O)N3CCCC(C4=NN=N[N-]4)C3)C2=NC=N1	REAL300020145692	1	42	-1.0	-49.62	348.21	4.82	-44.80
O=C(C1=CC2=CC(O)=C(O)C=C2S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145693	0	38	-1.0	-47.38	328.37	0.87	-46.51
O=C(C1=CC2=CC(O)=C(O)C=C2S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145693	1	38	-1.0	-47.38	328.43	0.90	-46.48
O=C(C1=CNN=C1I)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145694	0	30	-1.0	-48.56	278.78	1.81	-46.75
O=C(C1=CNN=C1I)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145694	1	30	-1.0	-48.58	278.84	1.83	-46.75
O=C(CC=CCC1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145695	0	43	-1.0	-48.33	350.28	7.66	-40.67
O=C(CC=CCC1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145695	1	43	-1.0	-48.37	350.33	7.68	-40.69
CC1=CC=C(NC2=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)N=CS2)C=C1	REAL300020145696	0	44	-1.0	-47.73	363.30	5.85	-41.88
CC1=CC=C(NC2=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)N=CS2)C=C1	REAL300020145696	1	44	-1.0	-47.78	363.24	5.82	-41.96
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C2=CC=NC=C2)CCC1	REAL300020145697	0	42	-1.0	-47.36	324.97	4.88	-42.48
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C2=CC=NC=C2)CCC1	REAL300020145697	1	42	-1.0	-47.39	324.91	4.85	-42.54
O=C(C1=NC(C2=CN=CC=N2)=NO1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145698	0	36	-1.0	-43.81	312.20	-0.60	-44.41
O=C(C1=NC(C2=CN=CC=N2)=NO1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145698	1	36	-1.0	-43.81	312.26	-0.58	-44.39
CN1CCN(C(=O)OC(C)(C)C)CC1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145699	0	55	-1.0	-45.31	408.93	3.09	-42.22
CN1CCN(C(=O)OC(C)(C)C)CC1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145699	1	55	-1.0	-45.29	408.99	3.11	-42.18
C#CCN(CC(=O)N1CCCC(C2=N[N-]N=N2)C1)C(=O)OC(C)(C)C	REAL300020145700	0	48	-1.0	-54.36	384.09	5.88	-48.48
C#CCN(CC(=O)N1CCCC(C2=NN=N[N-]2)C1)C(=O)OC(C)(C)C	REAL300020145700	1	48	-1.0	-54.39	384.15	5.91	-48.48
O=C(C1=NC=CN=C1SCC1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145701	0	45	-1.0	-42.31	379.21	6.84	-35.47
O=C(C1=NC=CN=C1SCC1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145701	1	45	-1.0	-42.25	379.15	6.81	-35.44
O=C(CC1CCCS1(=O)=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145702	0	39	-1.0	-63.48	316.18	1.29	-62.19
O=C(CC1CCCS1(=O)=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145702	1	39	-1.0	-63.43	316.23	1.31	-62.12
O=C(C1=CC2=CC=CC=C2OC1C(F)(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145703	0	42	-1.0	-45.80	353.79	5.98	-39.82
O=C(C1=CC2=CC=CC=C2OC1C(F)(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145703	1	42	-1.0	-45.77	353.85	6.00	-39.77
CC1=CC=C(C(=O)C=CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020145704	0	42	-1.0	-44.55	347.38	6.49	-38.06
CC1=CC=C(C(=O)C=CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020145704	1	42	-1.0	-44.54	347.44	6.52	-38.02
CC1=CN(C(C)(C)C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=N1	REAL300020145705	0	42	-1.0	-45.84	318.07	4.92	-40.92
CC1=CN(C(C)(C)C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=N1	REAL300020145705	1	42	-1.0	-45.83	318.13	4.95	-40.88
O=C(C1=CC=C2NC=NC2=C1F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145706	0	36	-1.0	-59.31	302.37	4.13	-55.18
O=C(C1=CC=C2NC=NC2=C1F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145706	1	36	-1.0	-59.29	302.42	4.15	-55.14
NC1=NN=NN1C1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020145707	0	40	-1.0	-57.18	331.72	4.39	-52.79
NC1=NN=NN1C1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020145707	1	40	-1.0	-57.24	331.66	4.36	-52.88
CC1=CC=CC=C1NC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N=CS1	REAL300020145708	0	44	-1.0	-47.95	361.03	6.00	-41.95
CC1=CC=CC=C1NC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N=CS1	REAL300020145708	1	44	-1.0	-47.98	360.97	5.97	-42.01
CCN1C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CN=C1Br	REAL300020145709	0	36	-1.0	-42.77	309.07	4.17	-38.60
CCN1C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CN=C1Br	REAL300020145709	1	36	-1.0	-42.75	309.01	4.14	-38.61
O=C(C1=CC(C(F)(F)F)=CNC1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145710	0	36	-1.0	-46.04	311.69	2.43	-43.61
O=C(C1=CC(C(F)(F)F)=CNC1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145710	1	36	-1.0	-46.06	311.75	2.45	-43.61
O=C(NC(CO)C(=O)N1CCCC(C2=N[N-]N=N2)C1)OCC1=CC=CC=C1	REAL300020145711	0	48	-1.0	-41.53	394.84	0.88	-40.65
O=C(NC(CO)C(=O)N1CCCC(C2=NN=N[N-]2)C1)OCC1=CC=CC=C1	REAL300020145711	1	48	-1.0	-41.56	394.90	0.90	-40.66
O=C(C1=CN2C=CN=C2C(Br)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145712	0	36	-1.0	-45.67	322.43	5.73	-39.94
O=C(C1=CN2C=CN=C2C(Br)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145712	1	36	-1.0	-45.63	322.37	5.70	-39.93
CC(C)(C)OC(=O)N1CC2(C1)CC(C(=O)N1CCCC(C3=N[N-]N=N3)C1)=NO2	REAL300020145713	0	52	-1.0	-43.47	411.17	3.75	-39.72
CC(C)(C)OC(=O)N1CC2(C1)CC(C(=O)N1CCCC(C3=NN=N[N-]3)C1)=NO2	REAL300020145713	1	52	-1.0	-43.49	411.23	3.77	-39.72
CN1N=C(I)C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145714	0	33	-1.0	-41.57	295.19	3.12	-38.45
CN1N=C(I)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145714	1	33	-1.0	-41.57	295.13	3.10	-38.47
CC(C)(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=C(C#N)C=C1	REAL300020145715	0	43	-1.0	-48.67	331.16	6.45	-42.22
CC(C)(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=C(C#N)C=C1	REAL300020145715	1	43	-1.0	-48.69	331.22	6.48	-42.21
CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1	REAL300020145716	0	56	-1.0	-51.21	421.29	4.68	-46.53
CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1	REAL300020145716	1	56	-1.0	-51.25	421.35	4.70	-46.55
CC(=CC1=CC=C(Br)O1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145717	0	37	-1.0	-44.87	316.54	5.18	-39.69
CC(=CC1=CC=C(Br)O1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145717	1	37	-1.0	-44.85	316.60	5.21	-39.64
O=C(C1=CC=CC(OC2=CC=C(Cl)C=N2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145718	0	43	-1.0	-51.04	371.06	5.26	-45.78
O=C(C1=CC=CC(OC2=CC=C(Cl)C=N2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145718	1	43	-1.0	-51.02	371.00	5.24	-45.78
O=CC1=CC=C(F)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020145719	0	35	-1.0	-50.52	299.95	4.24	-46.28
O=CC1=CC=C(F)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020145719	1	35	-1.0	-50.51	300.00	4.26	-46.25
O=CC1=CNC2=CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CC=C12	REAL300020145720	0	39	-1.0	-47.29	323.32	4.21	-43.08
O=CC1=CNC2=CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=CC=C12	REAL300020145720	1	39	-1.0	-47.26	323.38	4.24	-43.02
CC1=CC(C=O)=C(C)N1C1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=C1C	REAL300020145721	0	52	-1.0	-40.41	421.30	9.01	-31.40
CC1=CC(C=O)=C(C)N1C1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=C1C	REAL300020145721	1	52	-1.0	-40.44	421.36	9.03	-31.41
CC1=CC(C=O)=C(C)N1C1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020145722	0	49	-1.0	-50.39	398.07	8.03	-42.36
CC1=CC(C=O)=C(C)N1C1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020145722	1	49	-1.0	-50.40	398.13	8.05	-42.35
CC1=CC(C=O)=C(C)N1C1=CC=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145723	0	49	-1.0	-43.95	398.67	8.41	-35.54
CC1=CC(C=O)=C(C)N1C1=CC=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145723	1	49	-1.0	-43.97	398.72	8.43	-35.54
CC1=CC(C=O)=C(C)N1C1=CC=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020145724	0	52	-1.0	-52.07	425.43	9.16	-42.91
CC1=CC(C=O)=C(C)N1C1=CC=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020145724	1	52	-1.0	-52.06	425.49	9.19	-42.87
O=CC1=CC(Br)=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020145725	0	35	-1.0	-47.56	314.51	4.75	-42.81
O=CC1=CC(Br)=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020145725	1	35	-1.0	-47.60	314.57	4.77	-42.83
O=C(C1=CN([C@@H]2CC[C@H]2O)N=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145726	0	40	-1.0	-45.99	325.19	-0.08	-46.07
O=C(C1=CN([C@@H]2CC[C@H]2O)N=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145726	1	40	-1.0	-45.93	325.13	-0.10	-46.03
O=C(N1CCCC(C2=N[N-]N=N2)C1)[C@@]1(C2=CC=CC=C2)C[C@@H](O)C1	REAL300020145727	0	44	-1.0	-50.54	339.23	3.29	-47.25
O=C(N1CCCC(C2=NN=N[N-]2)C1)[C@@]1(C2=CC=CC=C2)C[C@@H](O)C1	REAL300020145727	1	44	-1.0	-50.55	339.29	3.31	-47.24
O=C(OCC1=CC=CC=C1)N1CC(O)(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020145728	0	49	-1.0	-45.87	403.56	2.58	-43.29
O=C(OCC1=CC=CC=C1)N1CC(O)(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020145728	1	49	-1.0	-45.87	403.61	2.60	-43.27
O=C(C1=C(C(F)F)N=C2CCCCN21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145729	0	43	-1.0	-48.67	349.42	5.38	-43.29
O=C(C1=C(C(F)F)N=C2CCCCN21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145729	1	43	-1.0	-48.72	349.47	5.40	-43.32
O=C(C1=CN=C2SC=CC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145730	0	35	-1.0	-38.77	302.40	3.93	-34.84
O=C(C1=CN=C2SC=CC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145730	1	35	-1.0	-38.73	302.35	3.91	-34.82
O=C(CC(F)(F)C(F)(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145731	0	32	-1.0	-47.77	284.61	3.77	-44.00
O=C(CC(F)(F)C(F)(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145731	1	32	-1.0	-47.77	284.67	3.80	-43.97
O=C(C1=CC2=C(Cl)N=CC=C2O1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145732	0	35	-1.0	-37.94	310.18	3.87	-34.07
O=C(C1=CC2=C(Cl)N=CC=C2O1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145732	1	35	-1.0	-37.92	310.12	3.85	-34.07
O=C(CCNC(=O)C1=CC2=CC=CC=C2N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145733	0	47	-1.0	-57.05	384.89	3.83	-53.22
O=C(CCNC(=O)C1=CC2=CC=CC=C2N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145733	1	47	-1.0	-57.08	384.95	3.85	-53.23
O=C(C1=COC(C(F)(F)F)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145734	0	32	-1.0	-41.13	287.42	1.44	-39.69
O=C(C1=COC(C(F)(F)F)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145734	1	32	-1.0	-41.09	287.36	1.41	-39.68
O=C(C1=NN2C=C(Br)C=NC2=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145735	0	35	-1.0	-45.21	314.64	4.43	-40.78
O=C(C1=NN2C=C(Br)C=NC2=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145735	1	35	-1.0	-45.21	314.58	4.40	-40.81
COC1=CC=C(C=O)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145736	0	39	-1.0	-50.90	322.67	3.76	-47.14
COC1=CC=C(C=O)C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145736	1	39	-1.0	-50.92	322.73	3.79	-47.13
O=CC1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=CC=C1F	REAL300020145737	0	35	-1.0	-45.30	298.67	4.19	-41.11
O=CC1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=CC=C1F	REAL300020145737	1	35	-1.0	-45.27	298.73	4.22	-41.05
CS(=O)(=O)N1CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020145738	0	38	-1.0	-50.02	320.50	-0.31	-50.33
CS(=O)(=O)N1CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020145738	1	38	-1.0	-50.02	320.56	-0.28	-50.30
CC1(C2=CC=CC(Br)=C2)CC1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145739	0	43	-1.0	-46.17	355.17	7.77	-38.40
CC1(C2=CC=CC(Br)=C2)CC1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145739	1	43	-1.0	-46.18	355.23	7.80	-38.38
O=C(C1=CC=C(OCC2=CC=CC=C2)C=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145740	0	46	-1.0	-41.10	375.74	6.81	-34.29
O=C(C1=CC=C(OCC2=CC=CC=C2)C=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145740	1	46	-1.0	-41.11	375.68	6.78	-34.33
NC1=C2N=CN(C[C@@H]3CC[C@H](C(=O)N4CCCC(C5=N[N-]N=N5)C4)O3)C2=NC=N1	REAL300020145741	0	50	-1.0	-53.90	402.48	6.00	-47.90
NC1=C2N=CN(C[C@@H]3CC[C@H](C(=O)N4CCCC(C5=NN=N[N-]5)C4)O3)C2=NC=N1	REAL300020145741	1	50	-1.0	-53.91	402.54	6.02	-47.89
CC1=NC(OC(C)C(F)(F)F)=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145742	0	45	-1.0	-43.65	375.21	4.00	-39.65
CC1=NC(OC(C)C(F)(F)F)=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145742	1	45	-1.0	-43.68	375.27	4.02	-39.66
O=C([C@@H]1C[C@H]1C1CCOCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145743	0	44	-1.0	-48.45	339.27	4.68	-43.77
O=C([C@@H]1C[C@H]1C1CCOCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145743	1	44	-1.0	-48.44	339.32	4.70	-43.74
CC1=NC(C2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)S2)=CS1	REAL300020145744	0	39	-1.0	-40.17	348.22	5.02	-35.15
CC1=NC(C2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)S2)=CS1	REAL300020145744	1	39	-1.0	-40.14	348.16	4.99	-35.15
O=C(CC1=CC=CC=C1OCC1=CC=NC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145745	0	49	-1.0	-50.78	399.62	7.00	-43.78
O=C(CC1=CC=CC=C1OCC1=CC=NC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145745	1	49	-1.0	-50.80	399.67	7.03	-43.77
O=C([C@@H]1CC[C@H](CC2=CC=CC=C2)O1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145746	0	47	-1.0	-52.53	369.87	7.41	-45.12
O=C([C@@H]1CC[C@H](CC2=CC=CC=C2)O1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145746	1	47	-1.0	-52.56	369.92	7.44	-45.12
CCC1=CC=C(F)C=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145747	0	39	-1.0	-43.55	313.41	5.84	-37.71
CCC1=CC=C(F)C=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145747	1	39	-1.0	-43.56	313.47	5.87	-37.69
O=C(C[C@@H]1NC(=O)C2=CC=CC=C2NC1=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145748	0	45	-1.0	-54.80	361.02	1.40	-53.40
O=C(C[C@@H]1NC(=O)C2=CC=CC=C2NC1=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145748	1	45	-1.0	-54.73	361.08	1.43	-53.30
COCC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=CS1	REAL300020145749	0	37	-1.0	-46.85	312.83	3.23	-43.62
COCC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=CS1	REAL300020145749	1	37	-1.0	-46.85	312.88	3.26	-43.59
CN1C=CC2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C21	REAL300020145750	0	40	-1.0	-47.87	324.38	6.18	-41.69
CN1C=CC2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C21	REAL300020145750	1	40	-1.0	-47.86	324.44	6.20	-41.66
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C2=CC=NC3=CC=CC=C32)CC1	REAL300020145751	0	45	-1.0	-49.57	355.28	6.54	-43.03
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C2=CC=NC3=CC=CC=C32)CC1	REAL300020145751	1	45	-1.0	-49.55	355.23	6.51	-43.04
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C2CCCCO2)CCC1	REAL300020145752	0	47	-1.0	-44.35	344.14	4.97	-39.38
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C2CCCCO2)CCC1	REAL300020145752	1	47	-1.0	-44.35	344.20	5.00	-39.35
O=C(N1CCCC(C2=N[N-]N=N2)C1)C1(C2=CC=C([N+](=O)[O-])C=C2)CCC1	REAL300020145753	0	45	-1.0	-49.28	354.99	7.18	-42.10
O=C(N1CCCC(C2=NN=N[N-]2)C1)C1(C2=CC=C([N+](=O)[O-])C=C2)CCC1	REAL300020145753	1	45	-1.0	-49.31	355.05	7.21	-42.10
CC(C)(C(=O)N1CCCC(C2=NN=N[N-]2)C1)C1=CC=CC(C(F)(F)F)=N1	REAL300020145754	0	44	-1.0	-56.23	354.03	5.70	-50.53
CC(C)(C(=O)N1CCCC(C2=N[N-]N=N2)C1)C1=CC=CC(C(F)(F)F)=N1	REAL300020145754	1	44	-1.0	-56.24	353.97	5.67	-50.57
COC1=CC=C(F)C(OC)=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145755	0	41	-1.0	-49.32	342.68	3.45	-45.87
COC1=CC=C(F)C(OC)=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145755	1	41	-1.0	-49.31	342.73	3.48	-45.83
COC1=CC=NC(OC)=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145756	0	40	-1.0	-51.80	330.61	0.75	-51.05
COC1=CC=NC(OC)=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145756	1	40	-1.0	-51.77	330.56	0.72	-51.05
COC(=O)C1=NN(C)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020145757	0	39	-1.0	-43.09	323.78	2.75	-40.34
COC(=O)C1=NN(C)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020145757	1	39	-1.0	-43.09	323.72	2.73	-40.36
COC(=O)[C@@H]1O[C@@H](C(=O)N2CCCC(C3=N[N-]N=N3)C2)C[C@H]1C	REAL300020145758	0	43	-1.0	-54.05	343.06	4.74	-49.31
COC(=O)[C@@H]1O[C@@H](C(=O)N2CCCC(C3=NN=N[N-]3)C2)C[C@H]1C	REAL300020145758	1	43	-1.0	-54.04	343.12	4.76	-49.28
CC(C)C1=CC=CC=C1NC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020145759	0	54	-1.0	-47.48	420.89	8.71	-38.77
CC(C)C1=CC=CC=C1NC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020145759	1	54	-1.0	-47.51	420.94	8.74	-38.77
COC1=CC=CC=C1NC1=CC=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020145760	0	49	-1.0	-49.61	391.06	6.16	-43.45
COC1=CC=CC=C1NC1=CC=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020145760	1	49	-1.0	-49.66	391.11	6.18	-43.48
O=C(C=CC1=CC=C(Cl)S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145761	0	34	-1.0	-37.89	310.74	5.64	-32.25
O=C(C=CC1=CC=C(Cl)S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145761	1	34	-1.0	-37.89	310.79	5.67	-32.22
O=C(C=CC1=CC=CC=C1OC(F)(F)F)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145762	0	41	-1.0	-50.48	348.33	5.79	-44.69
O=C(C=CC1=CC=CC=C1OC(F)(F)F)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145762	1	41	-1.0	-50.49	348.38	5.82	-44.67
O=C(C1=NN(C2CCOCC2)C=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145763	0	44	-1.0	-42.56	345.30	3.70	-38.86
O=C(C1=NN(C2CCOCC2)C=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145763	1	44	-1.0	-42.60	345.24	3.67	-38.93
CC1(C)[C@@]2(C)CC[C@]1(C(=O)N1CCCC(C3=N[N-]N=N3)C1)OC2=O	REAL300020145764	0	46	-1.0	-45.30	343.16	5.33	-39.97
CC1(C)[C@@]2(C)CC[C@]1(C(=O)N1CCCC(C3=NN=N[N-]3)C1)OC2=O	REAL300020145764	1	46	-1.0	-45.28	343.21	5.35	-39.93
O=C(C1C2CC3=C(Br)C=CC=C3C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145765	0	41	-1.0	-49.97	341.49	7.78	-42.19
O=C(C1C2CC3=C(Br)C=CC=C3C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145765	1	41	-1.0	-49.89	341.55	7.80	-42.09
CC1=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C(C2=CC=CC=C2)O1	REAL300020145766	0	43	-1.0	-44.88	351.94	7.08	-37.80
CC1=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C(C2=CC=CC=C2)O1	REAL300020145766	1	43	-1.0	-44.84	352.00	7.11	-37.73
O=C(C1CNC(=O)C2=CC=CC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145767	0	41	-1.0	-57.19	330.29	2.97	-54.22
O=C(C1CNC(=O)C2=CC=CC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145767	1	41	-1.0	-57.17	330.34	2.99	-54.18
O=C(CC1CCC(F)(F)CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145768	0	42	-1.0	-46.54	325.67	5.87	-40.67
O=C(CC1CCC(F)(F)CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145768	1	42	-1.0	-46.55	325.73	5.90	-40.65
CC1=CN(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)N=C1C(F)(F)F	REAL300020145769	0	39	-1.0	-57.77	336.58	4.46	-53.31
CC1=CN(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)N=C1C(F)(F)F	REAL300020145769	1	39	-1.0	-57.76	336.53	4.43	-53.33
CC1=CC=CC([C@@H]2C[C@H]2C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020145770	0	43	-1.0	-47.22	343.23	7.42	-39.80
CC1=CC=CC([C@@H]2C[C@H]2C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020145770	1	43	-1.0	-47.19	343.28	7.45	-39.74
O=C(C1=CC=CC(C#CCO)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145771	0	39	-1.0	-47.61	330.43	3.23	-44.38
O=C(C1=CC=CC(C#CCO)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145771	1	39	-1.0	-47.63	330.49	3.25	-44.38
CC(C)(C)OC(=O)N[C@H](CO)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145772	0	47	-1.0	-47.45	367.92	-1.08	-48.53
CC(C)(C)OC(=O)N[C@H](CO)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145772	1	47	-1.0	-47.41	367.97	-1.05	-48.46
CC1=C(C=O)C(C)=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)N1	REAL300020145773	0	39	-1.0	-49.52	320.69	3.18	-46.34
CC1=C(C=O)C(C)=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)N1	REAL300020145773	1	39	-1.0	-49.56	320.75	3.20	-46.36
COC1=CC(CO)=CC=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145774	0	41	-1.0	-42.88	332.32	1.29	-41.59
COC1=CC(CO)=CC=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145774	1	41	-1.0	-42.89	332.38	1.31	-41.58
O=C(CC1CCN(CC(F)F)CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145775	0	47	-1.0	-49.89	359.83	4.36	-45.53
O=C(CC1CCN(CC(F)F)CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145775	1	47	-1.0	-49.86	359.89	4.39	-45.47
COC1=CC(OC)=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1C=O	REAL300020145776	0	43	-1.0	-51.69	350.87	3.19	-48.50
COC1=CC(OC)=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1C=O	REAL300020145776	1	43	-1.0	-51.75	350.93	3.21	-48.54
NC1=C2N=CN(CCCC(=O)N3CCCC(C4=N[N-]N=N4)C3)C2=NC=N1	REAL300020145777	0	45	-1.0	-58.33	369.69	5.62	-52.71
NC1=C2N=CN(CCCC(=O)N3CCCC(C4=NN=N[N-]4)C3)C2=NC=N1	REAL300020145777	1	45	-1.0	-58.29	369.75	5.64	-52.65
NC1=C2N=CN(CCCCC(=O)N3CCCC(C4=N[N-]N=N4)C3)C2=NC=N1	REAL300020145778	0	48	-1.0	-53.06	391.15	6.38	-46.68
NC1=C2N=CN(CCCCC(=O)N3CCCC(C4=NN=N[N-]4)C3)C2=NC=N1	REAL300020145778	1	48	-1.0	-53.06	391.21	6.41	-46.65
CC(C)(C(=O)N1CCCC(C2=NN=N[N-]2)C1)[NH+]1CCCCC1	REAL300020145779	0	48	0.0	-61.00	333.49	5.40	-55.60
O=C(CC(O)COCC1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145780	0	47	-1.0	-55.26	381.48	4.13	-51.13
O=C(CC(O)COCC1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145780	1	47	-1.0	-55.25	381.54	4.15	-51.10
O=C(C1CC(O)(C2=CC=CC(Cl)=C2)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145781	0	44	-1.0	-51.98	358.58	5.67	-46.31
O=C(C1CC(O)(C2=CC=CC(Cl)=C2)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145781	1	44	-1.0	-51.95	358.64	5.69	-46.26
CN(C(=O)OC(C)(C)C)C1CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020145782	0	53	-1.0	-57.07	400.79	5.51	-51.56
CN(C(=O)OC(C)(C)C)C1CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020145782	1	53	-1.0	-57.08	400.85	5.54	-51.54
O=C(C1=C2C=CC=CN2C(C(F)(F)F)=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145783	0	39	-1.0	-49.95	334.63	6.63	-43.32
O=C(C1=C2C=CC=CN2C(C(F)(F)F)=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145783	1	39	-1.0	-49.91	334.57	6.60	-43.31
CS(C)(=O)=NC1=CC=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020145784	0	43	-1.0	-59.21	350.50	2.73	-56.48
CS(C)(=O)=NC1=CC=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020145784	1	43	-1.0	-59.19	350.56	2.76	-56.43
CC1CCC2=NC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)=CN2C1	REAL300020145785	0	43	-1.0	-45.61	334.85	6.01	-39.60
CC1CCC2=NC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)=CN2C1	REAL300020145785	1	43	-1.0	-45.56	334.91	6.03	-39.53
O=C(C1=CC=CC=C1C1=CC=NC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145786	0	42	-1.0	-50.12	343.25	6.17	-43.95
O=C(C1=CC=CC=C1C1=CC=NC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145786	1	42	-1.0	-50.08	343.20	6.15	-43.93
O=C(C=CC1=CC=CC(C2=CC=CC=C2)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145787	0	47	-1.0	-39.08	377.68	9.34	-29.74
O=C(C=CC1=CC=CC(C2=CC=CC=C2)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145787	1	47	-1.0	-39.05	377.73	9.37	-29.68
CC1=NC=C(C=CC(=O)N2CCCC(C3=N[N-]N=N3)C2)S1	REAL300020145788	0	36	-1.0	-38.39	310.75	3.91	-34.48
CC1=NC=C(C=CC(=O)N2CCCC(C3=NN=N[N-]3)C2)S1	REAL300020145788	1	36	-1.0	-38.39	310.81	3.94	-34.45
O=C(C1=CN=CC(N2CCCC2=O)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145789	0	43	-1.0	-48.10	342.47	3.78	-44.32
O=C(C1=CN=CC(N2CCCC2=O)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145789	1	43	-1.0	-48.06	342.41	3.75	-44.31
NC(=O)C1=CC=C(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=N1	REAL300020145790	0	39	-1.0	-52.67	326.53	0.52	-52.15
NC(=O)C1=CC=C(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=N1	REAL300020145790	1	39	-1.0	-52.68	326.47	0.49	-52.19
CC1=C(C)C(=O)N(CCC(=O)N2CCCC(C3=N[N-]N=N3)C2)C1=O	REAL300020145791	0	43	-1.0	-49.94	357.60	4.08	-45.86
CC1=C(C)C(=O)N(CCC(=O)N2CCCC(C3=NN=N[N-]3)C2)C1=O	REAL300020145791	1	43	-1.0	-49.87	357.66	4.10	-45.77
O=C(C1CC2CSCC(C1)C2=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145792	0	43	-1.0	-48.54	329.40	4.85	-43.69
O=C(C1CC2CSCC(C1)C2=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145792	1	43	-1.0	-48.60	329.46	4.88	-43.72
CCOC(=O)C1CCCN(CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020145793	0	50	-1.0	-52.63	387.05	4.39	-48.24
CCOC(=O)C1CCC[N@H+](CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020145793	1	51	0.0	-66.11	388.59	6.56	-59.55
CCOC(=O)C1CCC[N@@H+](CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020145793	1	51	0.0	-66.13	388.66	6.56	-59.57
CCOC(=O)C1CCCN(CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020145793	1	50	-1.0	-52.58	387.11	4.41	-48.17
CCC(C)C(C(=O)N1CCCC(C2=N[N-]N=N2)C1)N1C=CC=C1C=O	REAL300020145794	0	48	-1.0	-43.85	356.04	5.84	-38.01
CCC(C)C(C(=O)N1CCCC(C2=NN=N[N-]2)C1)N1C=CC=C1C=O	REAL300020145794	1	48	-1.0	-43.84	356.09	5.86	-37.98
O=C(C1CCC([NH+]2CCOCC2)CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145795	0	53	0.0	-61.84	372.03	5.06	-56.78
O=C(C1CCC([NH+]2CCOCC2)CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145795	1	53	0.0	-61.81	372.09	5.08	-56.73
O=C(C1CCC(N2CCOCC2)CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145795	1	52	-1.0	-47.94	369.04	2.81	-45.13
O=C(C1CCC(N2CCOCC2)CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145795	1	52	-1.0	-47.94	369.09	2.84	-45.10
CC1=NNC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1C(F)(F)F	REAL300020145796	0	36	-1.0	-42.21	308.80	2.69	-39.52
CC1=NNC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1C(F)(F)F	REAL300020145796	1	36	-1.0	-42.24	308.86	2.72	-39.52
O=CC1=CC=C(C=CC(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1	REAL300020145797	0	39	-1.0	-39.65	326.65	5.65	-34.00
O=CC1=CC=C(C=CC(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1	REAL300020145797	1	39	-1.0	-39.67	326.71	5.68	-33.99
O=CC1=CC(F)=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C=C1F	REAL300020145798	0	35	-1.0	-38.36	305.13	4.29	-34.07
O=CC1=CC(F)=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C=C1F	REAL300020145798	1	35	-1.0	-38.37	305.19	4.32	-34.05
CC1(C)CN(C(=O)OCC2=CC=CC=C2)C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145799	0	54	-1.0	-52.65	431.45	7.14	-45.51
CC1(C)CN(C(=O)OCC2=CC=CC=C2)C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145799	1	54	-1.0	-52.66	431.51	7.16	-45.50
CN1CCOC2=CC=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=C21	REAL300020145800	0	43	-1.0	-40.72	335.76	3.03	-37.69
CN1CCOC2=CC=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=C21	REAL300020145800	1	43	-1.0	-40.69	335.81	3.06	-37.63
CC1CCN2C=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)N=C2C1	REAL300020145801	0	43	-1.0	-47.95	335.20	6.06	-41.89
CC1CCN2C=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)N=C2C1	REAL300020145801	1	43	-1.0	-47.92	335.25	6.09	-41.83
CC(C)(C[NH+]1CCOCC1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145802	0	49	0.0	-67.71	342.03	3.72	-63.99
CC(C)(C[NH+]1CCOCC1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145802	1	49	0.0	-67.70	342.09	3.75	-63.95
CC(C)(CN1CCOCC1)C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020145802	1	48	-1.0	-47.36	344.36	1.95	-45.41
CC(C)(CN1CCOCC1)C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020145802	1	48	-1.0	-47.35	344.42	1.97	-45.38
CN1CC[N@H+](C)CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020145803	0	47	0.0	-63.85	343.21	3.16	-60.69
CN1CC[N@@H+](C)CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020145803	1	47	0.0	-52.13	340.38	3.05	-49.08
CN1CC[N@H+](C)CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020145803	1	47	0.0	-63.86	343.27	3.19	-60.67
CN1CC[N@@H+](C)CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020145803	1	47	0.0	-52.12	340.44	3.07	-49.05
O=C(C1=CC(C2=CC=NC=C2)=NO1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148529	0	38	-1.0	-41.55	321.13	3.87	-37.68
O=C(C1=CC(C2=CC=NC=C2)=NO1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148529	1	38	-1.0	-41.55	321.18	3.89	-37.66
O=C(N1CCCC(C2=N[N-]N=N2)C1)C(F)(F)CCC1=CC=CC=C1	REAL300020148530	0	42	-1.0	-40.62	345.46	7.02	-33.60
O=C(N1CCCC(C2=NN=N[N-]2)C1)C(F)(F)CCC1=CC=CC=C1	REAL300020148530	1	42	-1.0	-40.64	345.52	7.05	-33.59
CC1=CC2=C(C=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)S2)S1	REAL300020148531	0	36	-1.0	-38.75	318.49	5.65	-33.10
CC1=CC2=C(C=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)S2)S1	REAL300020148531	1	36	-1.0	-38.76	318.55	5.68	-33.08
O=C(C1CC=CC2=CC=CC=C21)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148532	0	41	-1.0	-48.16	324.45	6.75	-41.41
O=C(C1CC=CC2=CC=CC=C21)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148532	1	41	-1.0	-48.11	324.51	6.77	-41.34
NS(=O)(=O)CC1=CC=CC=C1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148533	0	44	-1.0	-51.50	366.02	0.96	-50.54
NS(=O)(=O)CC1=CC=CC=C1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148533	1	44	-1.0	-51.48	366.08	0.99	-50.49
O=C(C1=CC2=CC=C(C(F)(F)F)C=C2S1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148534	0	39	-1.0	-38.82	346.04	6.85	-31.97
O=C(C1=CC2=CC=C(C(F)(F)F)C=C2S1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148534	1	39	-1.0	-38.81	346.10	6.87	-31.94
O=C(CC1(C2=CC=C(C(F)(F)F)C=C2)CC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148535	0	46	-1.0	-48.00	376.93	8.24	-39.76
O=C(CC1(C2=CC=C(C(F)(F)F)C=C2)CC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148535	1	46	-1.0	-48.00	376.99	8.26	-39.74
CON(CCC(=O)N1CCCC(C2=N[N-]N=N2)C1)C(=O)OC(C)(C)C	REAL300020148536	0	50	-1.0	-47.19	393.63	4.84	-42.35
CON(CCC(=O)N1CCCC(C2=NN=N[N-]2)C1)C(=O)OC(C)(C)C	REAL300020148536	1	50	-1.0	-47.22	393.69	4.86	-42.36
O=C(C1=CC2=NNN=C2C(Br)=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148537	0	35	-1.0	-44.38	311.35	2.27	-42.11
O=C(C1=CC2=NNN=C2C(Br)=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148537	1	35	-1.0	-44.42	311.41	2.29	-42.13
CC(C)(C)OC(=O)NC1=NOC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020148538	0	46	-1.0	-40.08	367.70	3.23	-36.85
CC(C)(C)OC(=O)NC1=NOC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020148538	1	46	-1.0	-40.07	367.76	3.25	-36.82
O=C(C1=CC=CC2=NC=CC=C12)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148539	0	38	-1.0	-47.68	309.02	4.77	-42.91
O=C(C1=CC=CC2=NC=CC=C12)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148539	1	38	-1.0	-47.67	308.96	4.75	-42.92
COC(=O)C1=CC(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C(F)C=N1	REAL300020148540	0	38	-1.0	-45.41	327.60	3.40	-42.01
COC(=O)C1=CC(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C(F)C=N1	REAL300020148540	1	38	-1.0	-45.39	327.54	3.37	-42.02
CC1=CC2=C(OCC2)C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)=C1	REAL300020148541	0	41	-1.0	-51.70	328.34	5.00	-46.70
CC1=CC2=C(OCC2)C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)=C1	REAL300020148541	1	41	-1.0	-51.67	328.40	5.02	-46.65
O=C(C1=C2SC=CC2=CN=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148542	0	35	-1.0	-47.53	302.15	3.99	-43.54
O=C(C1=C2SC=CC2=CN=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148542	1	35	-1.0	-47.55	302.09	3.97	-43.58
COC1CC2(C1)CC(C(=O)N1CCCC(C3=N[N-]N=N3)C1)C2	REAL300020148543	0	44	-1.0	-46.33	343.23	4.53	-41.80
COC1CC2(C1)CC(C(=O)N1CCCC(C3=NN=N[N-]3)C1)C2	REAL300020148543	1	44	-1.0	-46.36	343.29	4.55	-41.81
CC(C)OCC1=CC=CC=C1CC(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148544	0	49	-1.0	-48.56	386.08	6.92	-41.64
CC(C)OCC1=CC=CC=C1CC(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148544	1	49	-1.0	-48.52	386.14	6.95	-41.57
O=C([C@@H]1C[C@H]1C1=C(Cl)C=CC=C1Cl)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148545	0	40	-1.0	-46.73	350.57	7.56	-39.17
O=C([C@@H]1C[C@H]1C1=C(Cl)C=CC=C1Cl)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148545	1	40	-1.0	-46.75	350.63	7.58	-39.17
O=C(CC1CCCNC(=O)C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148546	0	43	-1.0	-61.10	326.88	2.31	-58.79
O=C(CC1CCCNC(=O)C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148546	1	43	-1.0	-61.12	326.94	2.33	-58.79
CC1(C(=O)N2CCCC(C3=N[N-]N=N3)C2)CC1C(F)(F)F	REAL300020148547	0	36	-1.0	-34.77	295.81	4.36	-30.41
CC1(C(=O)N2CCCC(C3=NN=N[N-]3)C2)CC1C(F)(F)F	REAL300020148547	1	36	-1.0	-34.76	295.86	4.38	-30.38
O=C(C1CCCCC12CCC2)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148548	0	46	-1.0	-46.02	324.77	6.28	-39.74
O=C(C1CCCCC12CCC2)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148548	1	46	-1.0	-46.03	324.83	6.31	-39.72
CC12CC(C(=O)N3CCCC(C4=N[N-]N=N4)C3)(CO1)CCC2	REAL300020148549	0	44	-1.0	-45.14	319.17	3.66	-41.48
CC12CC(C(=O)N3CCCC(C4=NN=N[N-]4)C3)(CO1)CCC2	REAL300020148549	1	44	-1.0	-45.16	319.23	3.68	-41.48
O=C([C@@H]1CCCC[C@H]1C1=CC=CC=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148550	0	49	-1.0	-48.19	372.10	8.20	-39.99
O=C([C@@H]1CCCC[C@H]1C1=CC=CC=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148550	1	49	-1.0	-48.20	372.16	8.22	-39.98
O=C(CN1C=C(I)C=N1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148551	0	33	-1.0	-53.10	303.19	3.94	-49.16
O=C(CN1C=C(I)C=N1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148551	1	33	-1.0	-53.10	303.13	3.92	-49.18
O=C(C1=CN=C2C=C(Br)C=CN12)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148552	0	36	-1.0	-44.81	314.53	5.30	-39.51
O=C(C1=CN=C2C=C(Br)C=CN12)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148552	1	36	-1.0	-44.78	314.47	5.28	-39.50
CN1C=NC2=C(C(=O)N3CCCC(C4=NN=N[N-]4)C3)C=CC=C21	REAL300020148553	0	39	-1.0	-59.47	317.49	5.77	-53.70
CN1C=NC2=C(C(=O)N3CCCC(C4=N[N-]N=N4)C3)C=CC=C21	REAL300020148553	1	39	-1.0	-59.46	317.44	5.74	-53.72
O=C(N1CCCC(C2=N[N-]N=N2)C1)C12CCCCC1C2(F)F	REAL300020148554	0	40	-1.0	-39.13	309.86	5.29	-33.84
O=C(N1CCCC(C2=NN=N[N-]2)C1)C12CCCCC1C2(F)F	REAL300020148554	1	40	-1.0	-39.15	309.92	5.31	-33.84
O=C(C1=C(Cl)C=NN1C1CCCC1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148555	0	43	-1.0	-42.42	358.22	5.73	-36.69
O=C(C1=C(Cl)C=NN1C1CCCC1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148555	1	43	-1.0	-42.40	358.16	5.70	-36.70
O=C(C1=CC(C2=CC=CC=N2)=NN1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148556	0	39	-1.0	-47.54	325.09	3.13	-44.41
O=C(C1=CC(C2=CC=CC=N2)=NN1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148556	1	39	-1.0	-47.54	325.14	3.15	-44.39
O=C(C1=CN(C2CCS(=O)(=O)C2)N=C1)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148557	0	43	-1.0	-54.70	356.25	0.83	-53.87
O=C(C1=CN(C2CCS(=O)(=O)C2)N=C1)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148557	1	43	-1.0	-54.69	356.19	0.80	-53.89
NC1=NC(Cl)=C(Cl)N=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148558	0	33	-1.0	-39.86	310.12	0.48	-39.38
NC1=NC(Cl)=C(Cl)N=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148558	1	33	-1.0	-39.87	310.06	0.46	-39.41
COC1=C(Cl)C=C(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C2=NC=CC=C21	REAL300020148559	0	42	-1.0	-50.70	360.27	5.07	-45.63
COC1=C(Cl)C=C(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C2=NC=CC=C21	REAL300020148559	1	42	-1.0	-50.70	360.22	5.04	-45.66
CN1N=CC(C(=O)OC(C)(C)C)=C1C(=O)N1CCCC(C2=NN=N[N-]2)C1	REAL300020148560	0	48	-1.0	-49.11	386.60	4.77	-44.34
CN1N=CC(C(=O)OC(C)(C)C)=C1C(=O)N1CCCC(C2=N[N-]N=N2)C1	REAL300020148560	1	48	-1.0	-49.13	386.55	4.74	-44.39
CC(C)(C)OC(=O)N1CCCC(C#N)(C(=O)N2CCCC(C3=N[N-]N=N3)C2)C1	REAL300020148561	0	54	-1.0	-44.54	408.93	5.24	-39.30
CC(C)(C)OC(=O)N1CCCC(C#N)(C(=O)N2CCCC(C3=NN=N[N-]3)C2)C1	REAL300020148561	1	54	-1.0	-44.51	408.99	5.27	-39.24
CN1N=CC(Cl)=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020156529	0	33	-1.0	-48.09	302.33	3.98	-44.11
CN1N=CC(Cl)=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020156529	1	33	-1.0	-48.11	302.27	3.96	-44.15
CC1=CC(F)=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(F)=C1	REAL300020156530	0	36	-1.0	-55.34	326.27	6.20	-49.14
CC1=CC(F)=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(F)=C1	REAL300020156530	1	36	-1.0	-55.39	326.21	6.17	-49.22
CC1=CC(C)=CC(CC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020156531	0	42	-1.0	-42.38	356.05	7.56	-34.82
CC1=CC(C)=CC(CC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020156531	1	42	-1.0	-42.33	355.99	7.53	-34.80
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C(OC2=CC=C(F)C=C2)N=C1	REAL300020156532	0	43	-1.0	-50.26	380.46	6.03	-44.23
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C(OC2=CC=C(F)C=C2)N=C1	REAL300020156532	1	43	-1.0	-50.24	380.40	6.01	-44.23
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=CC(N2CCCC2)=C1	REAL300020156533	0	45	-1.0	-41.42	366.43	6.06	-35.36
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=CC(N2CCCC2)=C1	REAL300020156533	1	45	-1.0	-41.40	366.37	6.04	-35.36
CCOC1(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CCC1	REAL300020156534	0	40	-1.0	-40.32	330.99	4.24	-36.08
CCOC1(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CCC1	REAL300020156534	1	40	-1.0	-40.33	330.93	4.21	-36.12
COC1=CC=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1OC(C)C	REAL300020156535	0	47	-1.0	-44.66	382.97	7.40	-37.26
COC1=CC=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1OC(C)C	REAL300020156535	1	47	-1.0	-44.65	382.91	7.38	-37.27
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=C2C=CC=C(Br)N2N=C1	REAL300020156536	0	36	-1.0	-53.63	337.28	5.79	-47.84
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=C2C=CC=C(Br)N2N=C1	REAL300020156536	1	36	-1.0	-53.62	337.22	5.77	-47.85
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C(OC2=CC=CC=C2F)N=C1	REAL300020156537	0	43	-1.0	-44.04	381.77	5.92	-38.12
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C(OC2=CC=CC=C2F)N=C1	REAL300020156537	1	43	-1.0	-44.04	381.72	5.90	-38.14
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C2C(=C1)NC(=O)N2C1CC1	REAL300020156538	0	44	-1.0	-45.11	373.32	6.02	-39.09
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C2C(=C1)NC(=O)N2C1CC1	REAL300020156538	1	44	-1.0	-45.10	373.27	6.00	-39.10
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C(NC2=CC=CN=C2)C=C1	REAL300020156539	0	44	-1.0	-44.49	374.47	6.05	-38.44
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C(NC2=CC=CN=C2)C=C1	REAL300020156539	1	44	-1.0	-44.51	374.41	6.03	-38.48
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=C2CC(=O)NC2=NC=C1	REAL300020156540	0	37	-1.0	-55.43	324.29	3.22	-52.21
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=C2CC(=O)NC2=NC=C1	REAL300020156540	1	37	-1.0	-55.43	324.24	3.19	-52.24
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC2=NC(C(F)(F)F)=CN2C=C1	REAL300020156541	0	39	-1.0	-61.56	356.55	7.14	-54.42
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC2=NC(C(F)(F)F)=CN2C=C1	REAL300020156541	1	39	-1.0	-61.57	356.49	7.12	-54.45
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)[C@@H]2C1	REAL300020156542	0	54	-1.0	-45.32	427.99	6.65	-38.67
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)[C@@H]2C1	REAL300020156542	1	54	-1.0	-45.30	428.04	6.68	-38.62
COC(=O)C=CC1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)O1	REAL300020156543	0	40	-1.0	-50.61	363.35	5.77	-44.84
COC(=O)C=CC1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)O1	REAL300020156543	1	40	-1.0	-50.56	363.29	5.74	-44.82
CC(C)(C)C1=CC=C(C=CC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020156544	0	49	-1.0	-52.14	399.22	9.07	-43.07
CC(C)(C)C1=CC=C(C=CC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020156544	1	49	-1.0	-52.16	399.16	9.05	-43.11
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=C(F)C=CC(F)=C1Cl	REAL300020156545	0	33	-1.0	-53.47	320.23	5.95	-47.52
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=C(F)C=CC(F)=C1Cl	REAL300020156545	1	33	-1.0	-53.44	320.17	5.92	-47.52
CCN1N=CC(Cl)=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020156546	0	36	-1.0	-52.47	320.41	5.13	-47.34
CCN1N=CC(Cl)=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020156546	1	36	-1.0	-52.53	320.35	5.10	-47.43
COC(=O)C1=C(C)C=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)O1	REAL300020156547	0	39	-1.0	-47.59	347.64	4.97	-42.62
COC(=O)C1=C(C)C=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)O1	REAL300020156547	1	39	-1.0	-47.61	347.59	4.94	-42.67
COC(=O)C1=CN(CC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)N=C1	REAL300020156548	0	39	-1.0	-49.30	350.22	4.37	-44.93
COC(=O)C1=CN(CC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)N=C1	REAL300020156548	1	39	-1.0	-49.32	350.16	4.34	-44.98
C[C@@H](CC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC(=O)OC(C)(C)C	REAL300020156549	0	49	-1.0	-47.08	399.03	4.27	-42.81
C[C@@H](CC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC(=O)OC(C)(C)C	REAL300020156549	1	49	-1.0	-47.08	399.08	4.29	-42.79
CC(C)(C)OC(=O)NC1CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C1	REAL300020156550	0	51	-1.0	-43.33	414.86	4.97	-38.36
CC(C)(C)OC(=O)NC1CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C1	REAL300020156550	1	51	-1.0	-43.35	414.92	5.00	-38.35
CN1C=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(C2=CC=CO2)=N1	REAL300020156551	0	40	-1.0	-57.83	351.99	6.00	-51.83
CN1C=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(C2=CC=CO2)=N1	REAL300020156551	1	40	-1.0	-57.85	351.93	5.98	-51.87
NC(=O)C1=CC=C(C=CC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)O1	REAL300020156552	0	38	-1.0	-43.88	345.70	1.85	-42.03
NC(=O)C1=CC=C(C=CC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)O1	REAL300020156552	1	38	-1.0	-43.88	345.64	1.83	-42.05
COC(C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1CCC1	REAL300020156553	0	40	-1.0	-43.38	331.39	5.47	-37.91
COC(C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1CCC1	REAL300020156553	1	40	-1.0	-43.38	331.33	5.45	-37.93
CC1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)OC(S(N)(=O)=O)=C1	REAL300020156554	0	38	-1.0	-53.10	347.32	-0.75	-53.85
CC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)OC(S(N)(=O)=O)=C1	REAL300020156554	1	38	-1.0	-53.10	347.27	-0.78	-53.88
CSC1=CC=C(O)C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020156555	0	38	-1.0	-53.27	337.59	5.01	-48.26
CSC1=CC=C(O)C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020156555	1	38	-1.0	-53.30	337.54	4.99	-48.31
CCCCC(C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)C(C)C	REAL300020156556	0	47	-1.0	-42.45	365.16	7.49	-34.96
CCCCC(C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)C(C)C	REAL300020156556	1	47	-1.0	-42.48	365.10	7.46	-35.02
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020156557	0	51	-1.0	-55.23	408.27	7.21	-48.02
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020156557	1	51	-1.0	-55.24	408.32	7.24	-48.00
CC1=CC=C(C2=NN(C)C=C2C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)O1	REAL300020156558	0	43	-1.0	-49.62	374.22	6.83	-42.79
CC1=CC=C(C2=NN(C)C=C2C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)O1	REAL300020156558	1	43	-1.0	-49.59	374.16	6.80	-42.79
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1(C2=CC=CC=C2)CCCCCC1	REAL300020156559	0	52	-1.0	-41.21	383.15	9.58	-31.63
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1(C2=CC=CC=C2)CCCCCC1	REAL300020156559	1	52	-1.0	-41.20	383.09	9.55	-31.65
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C(=O)NC1=C(F)C=CC=C1F	REAL300020156560	0	37	-1.0	-43.38	336.50	3.98	-39.40
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C(=O)NC1=C(F)C=CC=C1F	REAL300020156560	1	37	-1.0	-43.37	336.44	3.96	-39.41
CC1=CC(CC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C(C)N1C1=CC=CC=C1	REAL300020156561	0	50	-1.0	-45.04	420.76	10.27	-34.77
CC1=CC(CC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C(C)N1C1=CC=CC=C1	REAL300020156561	1	50	-1.0	-45.02	420.71	10.25	-34.77
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1CCC2(CC2)CC1	REAL300020156562	0	43	-1.0	-39.75	345.53	7.10	-32.65
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1CCC2(CC2)CC1	REAL300020156562	1	43	-1.0	-39.73	345.48	7.08	-32.65
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1CCC2=CC(F)=CC=C21	REAL300020156563	0	40	-1.0	-40.95	341.12	7.38	-33.57
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1CCC2=CC(F)=CC=C21	REAL300020156563	1	40	-1.0	-40.93	341.06	7.36	-33.57
CC1=CC=C([C@@H]2C[C@H]2C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1C	REAL300020156564	0	46	-1.0	-43.85	379.56	8.79	-35.06
CC1=CC=C([C@@H]2C[C@H]2C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1C	REAL300020156564	1	46	-1.0	-43.79	379.50	8.76	-35.03
CCOCCN1C=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=N1	REAL300020156565	0	43	-1.0	-42.71	370.71	4.20	-38.51
CCOCCN1C=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=N1	REAL300020156565	1	43	-1.0	-42.72	370.65	4.18	-38.54
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=C(C(F)(F)F)SC=C1	REAL300020156566	0	33	-1.0	-52.56	313.18	5.67	-46.89
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=C(C(F)(F)F)SC=C1	REAL300020156566	1	33	-1.0	-52.57	313.13	5.65	-46.92
CC1=NN(C2CCOCC2)C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020156567	0	47	-1.0	-50.92	382.29	5.26	-45.66
CC1=NN(C2CCOCC2)C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020156567	1	47	-1.0	-50.90	382.23	5.24	-45.66
CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020156568	0	52	-1.0	-45.16	414.11	2.41	-42.75
CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020156568	1	52	-1.0	-45.19	414.16	2.44	-42.75
CN1N=C(Cl)C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1Cl	REAL300020156569	0	33	-1.0	-50.93	328.50	4.03	-46.90
CN1N=C(Cl)C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1Cl	REAL300020156569	1	33	-1.0	-50.92	328.44	4.00	-46.92
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1CCCC1CC1=CC=CC=C1	REAL300020156570	0	49	-1.0	-45.14	396.61	9.46	-35.68
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1CCCC1CC1=CC=CC=C1	REAL300020156570	1	49	-1.0	-45.14	396.55	9.43	-35.71
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CC(C)(C)OC(=O)C1(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(C)(C)C1(C)C	REAL300020156612	0	57	-1.0	-41.78	434.45	8.88	-32.90
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CC1C[N@@H+](C)CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)O1	REAL300020156613	1	43	0.0	-70.21	339.84	4.66	-65.55
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COC1=CC=C(C=O)C=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020156677	1	39	-1.0	-59.85	339.01	5.73	-54.12
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CS(=O)(=O)N1CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C1	REAL300020156680	0	38	-1.0	-54.53	339.44	0.53	-54.00
CS(=O)(=O)N1CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C1	REAL300020156680	1	38	-1.0	-54.55	339.39	0.51	-54.04
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CCC(CC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)C(C)(C)C	REAL300020156687	1	47	-1.0	-39.83	352.26	6.51	-33.32
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CC(C)(C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=CC(C(F)(F)F)=N1	REAL300020156695	0	44	-1.0	-54.00	379.22	7.11	-46.89
CC(C)(C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=CC(C(F)(F)F)=N1	REAL300020156695	1	44	-1.0	-53.98	379.16	7.09	-46.89
COC1=CC=C(F)C(OC)=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020156696	0	41	-1.0	-47.75	359.41	4.39	-43.36
COC1=CC=C(F)C(OC)=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020156696	1	41	-1.0	-47.79	359.35	4.37	-43.42
COC1=CC=NC(OC)=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020156697	0	40	-1.0	-58.31	348.60	1.55	-56.76
COC1=CC=NC(OC)=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020156697	1	40	-1.0	-58.32	348.54	1.52	-56.80
COC(=O)C1=NN(C)C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020156698	0	39	-1.0	-46.20	344.09	4.02	-42.18
COC(=O)C1=NN(C)C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020156698	1	39	-1.0	-46.22	344.04	4.00	-42.22
COC(=O)[C@@H]1O[C@@H](C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C[C@H]1C	REAL300020156699	0	43	-1.0	-57.29	365.64	5.61	-51.68
COC(=O)[C@@H]1O[C@@H](C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C[C@H]1C	REAL300020156699	1	43	-1.0	-57.29	365.70	5.63	-51.66
O=C(C=CC1=CC=C(Cl)S1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020156700	0	34	-1.0	-46.04	330.12	6.49	-39.55
O=C(C=CC1=CC=C(Cl)S1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020156700	1	34	-1.0	-46.05	330.06	6.46	-39.59
O=C(C=CC1=CC=CC=C1OC(F)(F)F)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020156701	0	41	-1.0	-43.54	367.65	6.59	-36.95
O=C(C=CC1=CC=CC=C1OC(F)(F)F)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020156701	1	41	-1.0	-43.55	367.70	6.62	-36.93
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=NN(C2CCOCC2)C=C1	REAL300020156702	0	44	-1.0	-52.86	366.63	4.19	-48.67
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=NN(C2CCOCC2)C=C1	REAL300020156702	1	44	-1.0	-52.87	366.58	4.17	-48.70
CC1(C)[C@@]2(C)CC[C@]1(C(=O)NC1=CC=CC(CC3=NN=N[N-]3)=C1)OC2=O	REAL300020156703	0	46	-1.0	-48.57	366.08	5.94	-42.63
CC1(C)[C@@]2(C)CC[C@]1(C(=O)NC1=CC=CC(CC3=N[N-]N=N3)=C1)OC2=O	REAL300020156703	1	46	-1.0	-48.57	366.02	5.91	-42.66
CC1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C(C2=CC=CC=C2)O1	REAL300020156704	0	43	-1.0	-50.74	369.66	8.10	-42.64
CC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C(C2=CC=CC=C2)O1	REAL300020156704	1	43	-1.0	-50.73	369.60	8.08	-42.65
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1CNC(=O)C2=CC=CC=C21	REAL300020156705	0	41	-1.0	-49.82	349.04	3.92	-45.90
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1CNC(=O)C2=CC=CC=C21	REAL300020156705	1	41	-1.0	-49.83	348.98	3.90	-45.93
O=C(CC1CCC(F)(F)CC1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020156706	0	42	-1.0	-44.13	343.86	6.63	-37.50
O=C(CC1CCC(F)(F)CC1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020156706	1	42	-1.0	-44.12	343.92	6.66	-37.46
CC1=CN(CC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)N=C1C(F)(F)F	REAL300020156707	0	39	-1.0	-50.05	355.05	5.28	-44.77
CC1=CN(CC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)N=C1C(F)(F)F	REAL300020156707	1	39	-1.0	-50.06	355.00	5.25	-44.81
CC1=CC=CC([C@@H]2C[C@H]2C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020156708	0	43	-1.0	-43.73	362.56	8.25	-35.48
CC1=CC=CC([C@@H]2C[C@H]2C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020156708	1	43	-1.0	-43.73	362.50	8.23	-35.50
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C(C(F)F)O1	REAL300020156709	0	33	-1.0	-48.86	307.89	4.68	-44.18
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C(C(F)F)O1	REAL300020156709	1	33	-1.0	-48.80	307.83	4.65	-44.15
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=C(C(F)F)N=CO1	REAL300020156710	0	32	-1.0	-45.97	295.06	1.17	-44.80
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=C(C(F)F)N=CO1	REAL300020156710	1	32	-1.0	-45.98	295.00	1.14	-44.84
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=CC(C#CCO)=C1	REAL300020156711	0	39	-1.0	-45.54	349.08	4.37	-41.17
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=CC(C#CCO)=C1	REAL300020156711	1	39	-1.0	-45.51	349.02	4.34	-41.17
O=C(CN1CCOC1=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020156712	0	35	-1.0	-51.55	308.47	3.07	-48.48
O=C(CN1CCOC1=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020156712	1	35	-1.0	-51.57	308.42	3.04	-48.53
CC(C)(C)OC(=O)N[C@H](CO)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020156713	0	47	-1.0	-43.11	387.81	-0.06	-43.17
CC(C)(C)OC(=O)N[C@H](CO)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020156713	1	47	-1.0	-43.14	387.86	-0.03	-43.17
O=C(CCCN1C=NC=N1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020156714	0	38	-1.0	-50.04	331.89	6.45	-43.59
O=C(CCCN1C=NC=N1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020156714	1	38	-1.0	-50.01	331.84	6.43	-43.58
CC1=C(C=O)C(C)=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)N1	REAL300020156715	0	39	-1.0	-52.26	334.70	4.35	-47.91
CC1=C(C=O)C(C)=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)N1	REAL300020156715	1	39	-1.0	-52.23	334.64	4.33	-47.90
O=C(CN1CCNC(=O)C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020156716	0	39	-1.0	-56.50	325.14	-0.36	-56.86
O=C(CN1CCNC(=O)C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020156716	1	39	-1.0	-56.53	325.08	-0.38	-56.91
CCCC=CC(O)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020156717	0	40	-1.0	-40.17	341.43	3.98	-36.19
CCCC=CC(O)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020156717	1	40	-1.0	-40.12	341.38	3.95	-36.17
COC1=CC(CO)=CC=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020156718	0	41	-1.0	-46.64	348.76	3.34	-43.30
COC1=CC(CO)=CC=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020156718	1	41	-1.0	-46.62	348.70	3.31	-43.31
O=C(CC1CCN(CC(F)F)CC1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020156719	0	47	-1.0	-47.04	370.93	4.55	-42.49
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CC1(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CCS(=O)(=O)CC1	REAL300020158624	0	42	-1.0	-46.97	343.58	2.36	-44.61
CC1(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CCS(=O)(=O)CC1	REAL300020158624	1	42	-1.0	-46.99	343.63	2.39	-44.60
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CC1(C)CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C1C(F)(F)F	REAL300020158632	0	42	-1.0	-42.06	351.28	6.38	-35.68
CC1(C)CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C1C(F)(F)F	REAL300020158632	1	42	-1.0	-42.08	351.34	6.41	-35.67
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CC1(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CC2=CC=CC=C2NC1=O	REAL300020158634	0	44	-1.0	-44.18	364.25	5.30	-38.88
CC1(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CC2=CC=CC=C2NC1=O	REAL300020158634	1	44	-1.0	-44.16	364.19	5.28	-38.88
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CC(C)N1CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CCC1=O	REAL300020158640	0	46	-1.0	-42.47	365.63	5.30	-37.17
CC(C)N1CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CCC1=O	REAL300020158640	1	46	-1.0	-42.47	365.57	5.28	-37.19
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NC(=O)C1=NOC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020158643	1	33	-1.0	-50.28	306.05	-0.37	-50.65
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COCC1(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=CCC1	REAL300020158647	0	41	-1.0	-42.56	337.46	5.16	-37.40
COCC1(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=CCC1	REAL300020158647	1	41	-1.0	-42.58	337.40	5.14	-37.44
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CC(C)(C)OC(=O)N[C@H](CC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1CC1	REAL300020158652	1	53	-1.0	-46.04	421.14	6.33	-39.71
CC(C)(C)OC(=O)N[C@@H](CC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1CC1	REAL300020158653	0	53	-1.0	-48.12	423.74	5.60	-42.52
CC(C)(C)OC(=O)N[C@@H](CC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1CC1	REAL300020158653	1	53	-1.0	-48.07	423.80	5.62	-42.45
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COC1C[C@@H]2CC(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C[C@H]12	REAL300020158656	0	44	-1.0	-50.69	352.60	5.43	-45.26
COC1C[C@@H]2CC(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C[C@H]12	REAL300020158656	1	44	-1.0	-50.69	352.54	5.40	-45.29
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CC1(C)C2CCC1(CC(=O)NC1=CC=CC(CC3=NN=N[N-]3)=C1)CC2	REAL300020158660	0	49	-1.0	-46.92	367.79	7.57	-39.35
CC1(C)C2CCC1(CC(=O)NC1=CC=CC(CC3=N[N-]N=N3)=C1)CC2	REAL300020158660	1	49	-1.0	-46.92	367.73	7.55	-39.37
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CCC1=CC2=C(OCC2)C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020158664	0	44	-1.0	-59.27	366.44	7.71	-51.56
CCC1=CC2=C(OCC2)C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020158664	1	44	-1.0	-59.30	366.39	7.68	-51.62
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O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC(C(F)(F)F)=CS1	REAL300020158667	1	33	-1.0	-52.70	320.56	5.57	-47.13
NC1=CC(S(N)(=O)=O)=CC=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020158668	0	40	-1.0	-54.22	352.98	-1.28	-55.50
NC1=CC(S(N)(=O)=O)=CC=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020158668	1	40	-1.0	-54.18	352.92	-1.31	-55.49
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CSC1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(Cl)=C1	REAL300020158670	0	37	-1.0	-41.79	341.19	7.09	-34.70
CSC1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(Cl)=C1	REAL300020158670	1	37	-1.0	-41.76	341.13	7.06	-34.70
CC(C)(C)OC(=O)NCC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)OC=C1	REAL300020158671	0	50	-1.0	-58.83	417.68	3.96	-54.87
CC(C)(C)OC(=O)NCC1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)OC=C1	REAL300020158671	1	50	-1.0	-58.82	417.74	3.98	-54.84
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CC(C)C(C)(NC(=O)OC(C)(C)C)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020158673	0	55	-1.0	-40.96	419.37	5.47	-35.49
CC(C)C(C)(NC(=O)OC(C)(C)C)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020158673	1	55	-1.0	-41.01	419.42	5.49	-35.52
CC(F)(F)C1=CC=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020158674	0	39	-1.0	-42.54	341.80	7.08	-35.46
CC(F)(F)C1=CC=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020158674	1	39	-1.0	-42.58	341.75	7.05	-35.53
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C2C=CSC2=C1	REAL300020158675	0	36	-1.0	-42.23	325.50	6.94	-35.29
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C2C=CSC2=C1	REAL300020158675	1	36	-1.0	-42.16	325.44	6.91	-35.25
COC1=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC(C)=N1	REAL300020158676	0	39	-1.0	-42.75	337.61	2.89	-39.86
COC1=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC(C)=N1	REAL300020158676	1	39	-1.0	-42.77	337.55	2.87	-39.90
CN1C=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(C2=CC=NN2C)=N1	REAL300020158677	0	43	-1.0	-48.70	374.65	4.48	-44.22
CN1C=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(C2=CC=NN2C)=N1	REAL300020158677	1	43	-1.0	-48.66	374.59	4.46	-44.20
CCC1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(C)=CO1	REAL300020158678	0	39	-1.0	-52.29	338.61	5.74	-46.55
CCC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(C)=CO1	REAL300020158678	1	39	-1.0	-52.30	338.55	5.71	-46.59
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C12CCCC1CCC2	REAL300020158679	0	43	-1.0	-40.69	336.15	6.75	-33.94
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C12CCCC1CCC2	REAL300020158679	1	43	-1.0	-40.71	336.09	6.73	-33.98
CC1=NC=C2CC(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)CCC2=N1	REAL300020158680	0	44	-1.0	-42.68	364.13	5.86	-36.82
CC1=NC=C2CC(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)CCC2=N1	REAL300020158680	1	44	-1.0	-42.67	364.07	5.83	-36.84
CC1=C(CC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(C(F)(F)F)=CO1	REAL300020158681	0	39	-1.0	-47.28	353.60	5.98	-41.30
CC1=C(CC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(C(F)(F)F)=CO1	REAL300020158681	1	39	-1.0	-47.28	353.66	6.00	-41.28
CCC1=NC=C2CC(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)CCC2=N1	REAL300020158682	0	47	-1.0	-42.53	385.56	6.44	-36.09
CCC1=NC=C2CC(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)CCC2=N1	REAL300020158682	1	47	-1.0	-42.58	385.61	6.46	-36.12
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C(F)(F)OC1=CC=CC=C1	REAL300020158683	0	37	-1.0	-40.18	331.43	6.19	-33.99
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CC1=CN(CC2=CC=C(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=C2)N=C1	REAL300020158684	0	46	-1.0	-59.13	394.27	7.88	-51.25
CC1=CN(CC2=CC=C(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=C2)N=C1	REAL300020158684	1	46	-1.0	-59.07	394.22	7.85	-51.22
COCCC(C)(C)CC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020158685	0	45	-1.0	-40.30	354.31	4.69	-35.61
COCCC(C)(C)CC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020158685	1	45	-1.0	-40.28	354.25	4.66	-35.62
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)[C@@H]1OCCC[C@@H]1C1=CC=CC=C1	REAL300020158686	0	47	-1.0	-39.98	361.36	7.95	-32.03
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)[C@@H]1OCCC[C@@H]1C1=CC=CC=C1	REAL300020158686	1	47	-1.0	-39.98	361.31	7.93	-32.05
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)[C@@H]1OCCC[C@H]1C1=CC=CC=C1	REAL300020158687	0	47	-1.0	-52.42	377.56	8.23	-44.19
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)[C@@H]1OCCC[C@H]1C1=CC=CC=C1	REAL300020158687	1	47	-1.0	-52.42	377.50	8.21	-44.21
CC1(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CCCNS1(=O)=O	REAL300020158688	0	41	-1.0	-44.68	339.98	0.71	-43.97
CC1(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CCCNS1(=O)=O	REAL300020158688	1	41	-1.0	-44.64	339.92	0.69	-43.95
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=COC(C(F)F)=N1	REAL300020158689	0	32	-1.0	-48.89	302.62	1.21	-47.68
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CC(C)(CC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)C(C)(F)F	REAL300020158692	0	41	-1.0	-39.31	330.17	5.70	-33.61
CC(C)(CC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)C(C)(F)F	REAL300020158692	1	41	-1.0	-39.26	330.11	5.67	-33.59
CN1C=CC(C23CC(CC2)C3C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020158693	0	47	-1.0	-43.46	383.73	6.80	-36.66
CN1C=CC(C23CC(CC2)C3C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020158693	1	47	-1.0	-43.48	383.67	6.77	-36.71
CC1=CC2=C(C=C(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)N2CC2CC2)S1	REAL300020158694	0	47	-1.0	-50.03	403.17	9.43	-40.60
CC1=CC2=C(C=C(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)N2CC2CC2)S1	REAL300020158694	1	47	-1.0	-50.06	403.12	9.41	-40.65
O=C(CCC=CBr)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020158695	0	33	-1.0	-40.40	309.01	5.29	-35.11
O=C(CCC=CBr)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020158695	1	33	-1.0	-40.34	308.95	5.27	-35.07
CC1=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C(C)C=N1	REAL300020158696	0	38	-1.0	-40.16	321.63	5.07	-35.09
CC1=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C(C)C=N1	REAL300020158696	1	38	-1.0	-40.12	321.58	5.05	-35.07
CC1=CC(F)=CC(C(C)C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020158697	0	42	-1.0	-42.96	356.77	7.50	-35.46
CC1=CC(F)=CC(C(C)C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020158697	1	42	-1.0	-42.99	356.71	7.48	-35.51
COC1=CN=C(C(F)(F)F)C=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020158698	0	39	-1.0	-51.77	351.77	5.29	-46.48
COC1=CN=C(C(F)(F)F)C=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020158698	1	39	-1.0	-51.77	351.71	5.26	-46.51
CC1(C)CCC2=CC(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=C(Cl)N=C2C1	REAL300020158699	0	48	-1.0	-50.72	394.61	7.57	-43.15
CC1(C)CCC2=CC(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=C(Cl)N=C2C1	REAL300020158699	1	48	-1.0	-50.76	394.66	7.59	-43.17
O=C(CC(C1=CC=CC=C1F)C(F)F)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020158700	0	42	-1.0	-49.24	361.66	7.62	-41.62
O=C(CC(C1=CC=CC=C1F)C(F)F)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020158700	1	42	-1.0	-49.23	361.72	7.65	-41.58
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1CCCC2=CC=NN21	REAL300020158701	0	40	-1.0	-49.64	332.55	5.21	-44.43
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1CCCC2=CC=NN21	REAL300020158701	1	40	-1.0	-49.64	332.50	5.19	-44.45
O=C(COC1=CC=CC=C1C(F)F)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020158702	0	40	-1.0	-64.76	354.67	6.99	-57.77
O=C(COC1=CC=CC=C1C(F)F)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020158702	1	40	-1.0	-64.75	354.73	7.01	-57.74
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=CC(C2CC2(F)F)=C1	REAL300020158703	0	40	-1.0	-45.16	348.45	7.75	-37.41
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=CC(C2CC2(F)F)=C1	REAL300020158703	1	40	-1.0	-45.15	348.39	7.73	-37.42
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CN=C2CCCC2=C1	REAL300020158704	0	39	-1.0	-42.16	329.16	5.63	-36.53
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CN=C2CCCC2=C1	REAL300020158704	1	39	-1.0	-42.15	329.10	5.61	-36.54
CC1=NC(C2CC2)=NC=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020158705	0	41	-1.0	-40.05	347.18	5.90	-34.15
CC1=NC(C2CC2)=NC=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020158705	1	41	-1.0	-40.04	347.12	5.88	-34.16
CCOC1=C2C=C(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)SC2=NC=C1	REAL300020158706	0	42	-1.0	-54.69	373.94	5.34	-49.35
CCOC1=C2C=C(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)SC2=NC=C1	REAL300020158706	1	42	-1.0	-54.69	373.88	5.31	-49.38
CC1(C)CCOC1CC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020158707	0	43	-1.0	-43.47	343.41	5.10	-38.37
CC1(C)CCOC1CC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020158707	1	43	-1.0	-43.46	343.35	5.07	-38.39
CC1=NN=C(CCC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)N1C	REAL300020158708	0	41	-1.0	-48.57	350.03	5.88	-42.69
CC1=NN=C(CCC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)N1C	REAL300020158708	1	41	-1.0	-48.56	349.97	5.85	-42.71
CCC1=NC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(C)=N1	REAL300020158709	0	40	-1.0	-41.84	337.92	4.82	-37.02
CCC1=NC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(C)=N1	REAL300020158709	1	40	-1.0	-41.86	337.86	4.79	-37.07
CC1=NC(C2CCOCC2)=NC=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020158710	0	48	-1.0	-42.40	390.22	4.90	-37.50
CC1=NC(C2CCOCC2)=NC=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020158710	1	48	-1.0	-42.37	390.28	4.93	-37.44
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)[C@@H]1CO[C@@H]2CCCC[C@@H]21	REAL300020158711	0	44	-1.0	-49.88	343.67	4.91	-44.97
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)[C@@H]1CO[C@@H]2CCCC[C@@H]21	REAL300020158711	1	44	-1.0	-49.87	343.62	4.88	-44.99
CC(C)(C)OC(=O)N1CCC2(CC2)C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020158712	0	54	-1.0	-49.23	431.15	7.18	-42.05
CC(C)(C)OC(=O)N1CCC2(CC2)C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020158712	1	54	-1.0	-49.21	431.21	7.21	-42.00
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1CC2CC1C1C2C1(F)F	REAL300020158713	0	41	-1.0	-42.52	333.10	6.69	-35.83
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1CC2CC1C1C2C1(F)F	REAL300020158713	1	41	-1.0	-42.51	333.16	6.71	-35.80
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1C2CC1(C1=CN=CS1)CC2	REAL300020158714	0	43	-1.0	-42.15	361.98	6.40	-35.75
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1C2CC1(C1=CN=CS1)CC2	REAL300020158714	1	43	-1.0	-42.16	361.92	6.37	-35.79
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1CCC2(CC1)COCCO2	REAL300020158715	0	48	-1.0	-42.83	372.89	4.80	-38.03
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1CCC2(CC1)COCCO2	REAL300020158715	1	48	-1.0	-42.81	372.95	4.83	-37.98
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=NC2=NC=CN=C12	REAL300020158716	0	36	-1.0	-62.76	317.99	3.47	-59.29
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=NC2=NC=CN=C12	REAL300020158716	1	36	-1.0	-62.75	317.93	3.45	-59.30
O=C(C=CC1=CC=C([N+](=O)[O-])S1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020158717	0	36	-1.0	-48.29	342.95	6.70	-41.59
O=C(C=CC1=CC=C([N+](=O)[O-])S1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020158717	1	36	-1.0	-48.26	342.89	6.67	-41.59
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)[C@@H]1[C@H]2C[C@]1(C1=CC=CS1)CC2	REAL300020158718	0	44	-1.0	-49.50	367.25	8.24	-41.26
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)[C@@H]1[C@H]2C[C@]1(C1=CC=CS1)CC2	REAL300020158718	1	44	-1.0	-49.52	367.19	8.21	-41.31
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=NN2CCNS(=O)(=O)C2=C1	REAL300020158719	0	39	-1.0	-63.08	349.95	-1.30	-64.38
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=NN2CCNS(=O)(=O)C2=C1	REAL300020158719	1	39	-1.0	-63.08	349.89	-1.32	-64.40
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F	REAL300020158720	0	40	-1.0	-42.66	330.88	6.50	-36.16
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F	REAL300020158720	1	40	-1.0	-42.67	330.83	6.47	-36.20
CC1=NN(C2=CC=CC=C2C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020158721	0	43	-1.0	-49.99	366.85	7.57	-42.42
CC1=NN(C2=CC=CC=C2C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020158721	1	43	-1.0	-49.98	366.79	7.54	-42.44
CC1=NC=NC(C)=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020158722	0	37	-1.0	-49.19	321.85	4.46	-44.73
CC1=NC=NC(C)=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020158722	1	37	-1.0	-49.20	321.79	4.43	-44.77
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1(C2=C(F)C=CC=C2Cl)CCC1	REAL300020158723	0	43	-1.0	-40.71	371.37	8.19	-32.52
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1(C2=C(F)C=CC=C2Cl)CCC1	REAL300020158723	1	43	-1.0	-40.73	371.31	8.17	-32.56
CC1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(C)=C(Br)O1	REAL300020158724	0	36	-1.0	-49.59	337.76	5.64	-43.95
CC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(C)=C(Br)O1	REAL300020158724	1	36	-1.0	-49.59	337.71	5.62	-43.97
CN1N=CC=C1[C@]12C[C@H](CC1)[C@@H]2C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020158725	0	47	-1.0	-45.04	379.70	6.58	-38.46
CN1N=CC=C1[C@]12C[C@H](CC1)[C@@H]2C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020158725	1	47	-1.0	-45.04	379.64	6.56	-38.48
CC12CC(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)(C1)C1(CCC1)O2	REAL300020158726	0	45	-1.0	-39.86	360.06	5.60	-34.26
CC12CC(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)(C1)C1(CCC1)O2	REAL300020158726	1	45	-1.0	-39.88	360.00	5.57	-34.31
CC12CC(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)(C1)C1(CCOCC1)O2	REAL300020158727	0	49	-1.0	-41.34	382.14	4.23	-37.11
CC12CC(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)(C1)C1(CCOCC1)O2	REAL300020158727	1	49	-1.0	-41.38	382.19	4.26	-37.12
CC1=COC(C(C)C)=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020158728	0	42	-1.0	-52.60	358.86	6.33	-46.27
CC1=COC(C(C)C)=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020158728	1	42	-1.0	-52.60	358.81	6.30	-46.30
CC1=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=NC(C)=N1	REAL300020158729	0	37	-1.0	-48.25	324.39	4.21	-44.04
CC1=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=NC(C)=N1	REAL300020158729	1	37	-1.0	-48.27	324.33	4.18	-44.09
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC2=C(CCCNC2=O)O1	REAL300020158730	0	41	-1.0	-46.20	350.40	2.91	-43.29
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC2=C(CCCNC2=O)O1	REAL300020158730	1	41	-1.0	-46.19	350.34	2.88	-43.31
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=NNC2=CC=C(F)C=C21	REAL300020158731	0	36	-1.0	-56.59	323.96	4.28	-52.31
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=NNC2=CC=C(F)C=C21	REAL300020158731	1	36	-1.0	-56.59	323.90	4.26	-52.33
CC1(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CS(=O)(=O)C1	REAL300020158732	0	36	-1.0	-45.12	312.82	1.18	-43.94
CC1(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CS(=O)(=O)C1	REAL300020158732	1	36	-1.0	-45.14	312.76	1.15	-43.99
COC1=CC=C(C23CC(CC2)C3C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020158733	0	51	-1.0	-54.42	403.37	8.22	-46.20
COC1=CC=C(C23CC(CC2)C3C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020158733	1	51	-1.0	-54.42	403.43	8.24	-46.18
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1(C2CCOCC2)CCOCC1	REAL300020158734	0	51	-1.0	-45.94	377.89	4.61	-41.33
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1(C2CCOCC2)CCOCC1	REAL300020158734	1	51	-1.0	-45.92	377.95	4.64	-41.28
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=CC=C1C1CC1(F)F	REAL300020158735	0	40	-1.0	-46.03	344.84	7.80	-38.23
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=CC=C1C1CC1(F)F	REAL300020158735	1	40	-1.0	-46.02	344.79	7.77	-38.25
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CN=NN1C1CC1	REAL300020158736	0	36	-1.0	-42.88	313.64	3.60	-39.28
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CN=NN1C1CC1	REAL300020158736	1	36	-1.0	-42.91	313.58	3.58	-39.33
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C(O)C1=CC(F)=C(F)C=C1F	REAL300020158737	0	37	-1.0	-45.49	334.87	4.47	-41.02
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C(O)C1=CC(F)=C(F)C=C1F	REAL300020158737	1	37	-1.0	-45.46	334.81	4.45	-41.01
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C(O)C1=CC(F)=C(F)C(F)=C1	REAL300020158738	0	37	-1.0	-43.89	340.35	4.37	-39.52
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C(O)C1=CC(F)=C(F)C(F)=C1	REAL300020158738	1	37	-1.0	-43.91	340.30	4.35	-39.56
CCC1=NN(C)C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1Cl	REAL300020158739	0	39	-1.0	-40.34	354.32	5.06	-35.28
CCC1=NN(C)C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1Cl	REAL300020158739	1	39	-1.0	-40.32	354.26	5.04	-35.28
O=C(CSC1=CC=CC(F)=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020158740	0	37	-1.0	-43.15	338.17	6.77	-36.38
O=C(CSC1=CC=CC(F)=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020158740	1	37	-1.0	-43.15	338.11	6.75	-36.40
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC2=C(C=C(Br)O2)N1	REAL300020158741	0	34	-1.0	-51.73	324.50	4.29	-47.44
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC2=C(C=C(Br)O2)N1	REAL300020158741	1	34	-1.0	-51.70	324.44	4.27	-47.43
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1CCC(=O)N1CCC(F)(F)F	REAL300020158742	0	43	-1.0	-48.55	370.74	5.69	-42.86
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1CCC(=O)N1CCC(F)(F)F	REAL300020158742	1	43	-1.0	-48.56	370.79	5.72	-42.84
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1CC(=O)NC2=NC=CC=C21	REAL300020158743	0	40	-1.0	-50.36	344.03	3.65	-46.71
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1CC(=O)NC2=NC=CC=C21	REAL300020158743	1	40	-1.0	-50.37	343.97	3.62	-46.75
CC1=NC(C2CC2)=NC(C)=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020158744	0	44	-1.0	-40.42	374.19	6.10	-34.32
CC1=NC(C2CC2)=NC(C)=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020158744	1	44	-1.0	-40.44	374.13	6.08	-34.36
CCC1=NC(C)=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(C)=N1	REAL300020158745	0	43	-1.0	-40.10	365.16	5.04	-35.06
CCC1=NC(C)=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(C)=N1	REAL300020158745	1	43	-1.0	-40.12	365.11	5.01	-35.11
CC(C)C1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(C(F)(F)F)=CO1	REAL300020158746	0	42	-1.0	-47.01	377.49	6.72	-40.29
CC(C)C1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(C(F)(F)F)=CO1	REAL300020158746	1	42	-1.0	-47.02	377.54	6.75	-40.27
CCC1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(C(F)(F)F)=CO1	REAL300020158747	0	39	-1.0	-47.27	357.28	6.15	-41.12
CCC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(C(F)(F)F)=CO1	REAL300020158747	1	39	-1.0	-47.24	357.23	6.12	-41.12
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1(C2CCCCO2)CC1	REAL300020158748	0	44	-1.0	-42.19	351.83	5.89	-36.30
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O=C(CC1=NN=C2COCCN12)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020158799	0	40	-1.0	-50.05	342.01	3.70	-46.35
O=C(CC1=NN=C2COCCN12)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020158799	1	40	-1.0	-50.07	341.95	3.67	-46.40
CC1=CC=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1N	REAL300020158800	0	38	-1.0	-49.76	317.31	4.54	-45.22
CC1=CC=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1N	REAL300020158800	1	38	-1.0	-49.74	317.25	4.52	-45.22
COC1=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C(N)C(OC)=C1OC	REAL300020158801	0	47	-1.0	-50.19	393.75	3.12	-47.07
COC1=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C(N)C(OC)=C1OC	REAL300020158801	1	47	-1.0	-50.16	393.70	3.10	-47.06
NC1=CC=CC(F)=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020158802	0	35	-1.0	-43.56	311.70	3.37	-40.19
NC1=CC=CC(F)=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020158802	1	35	-1.0	-43.52	311.65	3.34	-40.18
NC1=C(Cl)C=C(Cl)C=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020158803	0	35	-1.0	-37.87	330.29	4.86	-33.01
NC1=C(Cl)C=C(Cl)C=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020158803	1	35	-1.0	-37.84	330.23	4.83	-33.01
NC1=CC=C(Br)C=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020158804	0	35	-1.0	-46.61	320.11	4.39	-42.22
NC1=CC=C(Br)C=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020158804	1	35	-1.0	-46.61	320.05	4.37	-42.24
NC1=CC=C(Cl)C=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020158805	0	35	-1.0	-46.76	315.54	4.29	-42.47
NC1=CC=C(Cl)C=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020158805	1	35	-1.0	-46.74	315.49	4.26	-42.48
NC1=C(Cl)C=CC=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020158806	0	35	-1.0	-39.61	312.58	4.36	-35.25
NC1=C(Cl)C=CC=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020158806	1	35	-1.0	-39.57	312.52	4.33	-35.24
NC1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=CC=C1C(F)(F)F	REAL300020158807	0	38	-1.0	-50.84	333.41	4.92	-45.92
NC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=CC=C1C(F)(F)F	REAL300020158807	1	38	-1.0	-50.84	333.35	4.90	-45.94
NC1=CC(F)=C(F)C=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020158808	0	35	-1.0	-45.50	311.51	3.89	-41.61
NC1=CC(F)=C(F)C=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020158808	1	35	-1.0	-45.48	311.45	3.87	-41.61
CC1=CC(Br)=C(N)C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020158809	0	38	-1.0	-39.04	339.09	5.13	-33.91
CC1=CC(Br)=C(N)C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020158809	1	38	-1.0	-39.05	339.04	5.11	-33.94
NC1=C(Br)C=C(F)C=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020158810	0	35	-1.0	-38.08	324.12	4.54	-33.54
NC1=C(Br)C=C(F)C=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020158810	1	35	-1.0	-38.08	324.06	4.51	-33.57
NC1=C(F)C=CC=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020158811	0	35	-1.0	-40.13	303.66	3.88	-36.25
NC1=C(F)C=CC=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020158811	1	35	-1.0	-40.11	303.60	3.85	-36.26
NC1=C(Br)C=CC=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020158812	0	35	-1.0	-39.50	316.67	4.49	-35.01
NC1=C(Br)C=CC=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020158812	1	35	-1.0	-39.53	316.62	4.47	-35.06
NC1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=CC(Cl)=C1Cl	REAL300020158813	0	35	-1.0	-48.23	328.67	4.81	-43.42
NC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=CC(Cl)=C1Cl	REAL300020158813	1	35	-1.0	-48.25	328.62	4.79	-43.46
CC1=CC=C(F)C(N)=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020158814	0	38	-1.0	-50.15	330.66	3.93	-46.22
CC1=CC=C(F)C(N)=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020158814	1	38	-1.0	-50.15	330.60	3.91	-46.24
CC1=CC(F)=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1N	REAL300020158815	0	38	-1.0	-46.86	323.17	4.61	-42.25
CC1=CC(F)=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1N	REAL300020158815	1	38	-1.0	-46.85	323.11	4.59	-42.26
NC1=C(F)C=C(Br)C=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020158816	0	35	-1.0	-37.91	325.83	4.49	-33.42
NC1=C(F)C=C(Br)C=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020158816	1	35	-1.0	-37.85	325.77	4.46	-33.39
NC1=CC=C(C(F)(F)F)C=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020158817	0	38	-1.0	-46.41	337.83	4.79	-41.62
NC1=CC=C(C(F)(F)F)C=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020158817	1	38	-1.0	-46.37	337.77	4.76	-41.61
CC1=CC(Br)=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1N	REAL300020158818	0	38	-1.0	-46.54	338.04	5.16	-41.38
CC1=CC(Br)=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1N	REAL300020158818	1	38	-1.0	-46.52	337.98	5.13	-41.39
NC1=CC(F)=C(Br)C=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020158819	0	35	-1.0	-45.14	325.77	4.43	-40.71
NC1=CC(F)=C(Br)C=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020158819	1	35	-1.0	-45.14	325.72	4.41	-40.73
CC1=CC(Cl)=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1N	REAL300020158820	0	38	-1.0	-46.65	333.48	5.05	-41.60
CC1=CC(Cl)=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1N	REAL300020158820	1	38	-1.0	-46.67	333.42	5.03	-41.64
CC1=CC(Cl)=C(N)C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020158821	0	38	-1.0	-39.09	334.96	5.01	-34.08
CC1=CC(Cl)=C(N)C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020158821	1	38	-1.0	-39.08	334.90	4.99	-34.09
NC1=CC(F)=C(Cl)C=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020158822	0	35	-1.0	-45.27	321.36	4.34	-40.93
NC1=CC(F)=C(Cl)C=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020158822	1	35	-1.0	-45.23	321.31	4.31	-40.92
CC1=CN(C2=CC(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=C(N)C=C2F)N=C1	REAL300020158823	0	45	-1.0	-47.40	382.33	5.62	-41.78
CC1=CN(C2=CC(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=C(N)C=C2F)N=C1	REAL300020158823	1	45	-1.0	-47.44	382.27	5.60	-41.84
CC1=C(Br)C=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1N	REAL300020158824	0	38	-1.0	-47.50	334.77	5.06	-42.44
CC1=C(Br)C=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1N	REAL300020158824	1	38	-1.0	-47.47	334.71	5.04	-42.43
CC1=C(F)C=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1N	REAL300020158825	0	38	-1.0	-47.83	322.02	4.58	-43.25
CC1=C(F)C=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1N	REAL300020158825	1	38	-1.0	-47.82	321.96	4.55	-43.27
CC1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(N)=C1Cl	REAL300020158826	0	38	-1.0	-50.04	332.21	4.92	-45.12
CC1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(N)=C1Cl	REAL300020158826	1	38	-1.0	-50.02	332.15	4.90	-45.12
CC1=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C(N)C=C1F	REAL300020158827	0	38	-1.0	-47.76	325.62	4.49	-43.27
CC1=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C(N)C=C1F	REAL300020158827	1	38	-1.0	-47.77	325.56	4.47	-43.30
NC1=C(Cl)C=C(F)C=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020158828	0	35	-1.0	-38.11	319.98	4.42	-33.69
NC1=C(Cl)C=C(F)C=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020158828	1	35	-1.0	-38.11	319.92	4.39	-33.72
COC1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(N)=C1F	REAL300020158829	0	39	-1.0	-52.96	333.71	3.19	-49.77
COC1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(N)=C1F	REAL300020158829	1	39	-1.0	-52.96	333.66	3.17	-49.79
COC1=C(F)C=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(N)=C1F	REAL300020158830	0	39	-1.0	-39.26	343.20	3.38	-35.88
COC1=C(F)C=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(N)=C1F	REAL300020158830	1	39	-1.0	-39.23	343.15	3.35	-35.88
NC1=CC(Br)=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1N	REAL300020158831	0	37	-1.0	-46.96	332.43	2.52	-44.44
NC1=CC(Br)=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1N	REAL300020158831	1	37	-1.0	-46.94	332.38	2.50	-44.44
NC1=CC(Cl)=C(Cl)C=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020158832	0	35	-1.0	-45.15	330.68	4.74	-40.41
NC1=CC(Cl)=C(Cl)C=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020158832	1	35	-1.0	-45.17	330.62	4.72	-40.45
NC1=CC(Br)=C(F)C=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020158833	0	35	-1.0	-45.24	325.79	4.43	-40.81
NC1=CC(Br)=C(F)C=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020158833	1	35	-1.0	-45.26	325.73	4.41	-40.85
NC1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=CC(Cl)=C1F	REAL300020158834	0	35	-1.0	-49.12	320.67	4.37	-44.75
NC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=CC(Cl)=C1F	REAL300020158834	1	35	-1.0	-49.16	320.61	4.35	-44.81
NC1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=CC(Br)=C1F	REAL300020158835	0	35	-1.0	-48.88	325.08	4.47	-44.41
NC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=CC(Br)=C1F	REAL300020158835	1	35	-1.0	-48.90	325.02	4.44	-44.46
CC1=C(F)C=CC(N)=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020158836	0	38	-1.0	-43.98	330.22	3.88	-40.10
CC1=C(F)C=CC(N)=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020158836	1	38	-1.0	-43.95	330.16	3.85	-40.10
COC1=CC(OC)=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(N)=C1Cl	REAL300020158837	0	43	-1.0	-43.35	377.59	2.60	-40.75
COC1=CC(OC)=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(N)=C1Cl	REAL300020158837	1	43	-1.0	-43.33	377.54	2.58	-40.75
O=C(CC1=CC=C(O)C=N1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020158838	0	36	-1.0	-46.73	317.70	1.77	-44.96
O=C(CC1=CC=C(O)C=N1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020158838	1	36	-1.0	-46.73	317.64	1.74	-44.99
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C(Br)C(Cl)=N1	REAL300020158839	0	32	-1.0	-45.42	322.12	4.83	-40.59
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C(Br)C(Cl)=N1	REAL300020158839	1	32	-1.0	-45.45	322.06	4.80	-40.65
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=C(Cl)C=CC2=CC=NC=C21	REAL300020158840	0	38	-1.0	-55.75	348.33	6.22	-49.53
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=C(Cl)C=CC2=CC=NC=C21	REAL300020158840	1	38	-1.0	-55.75	348.28	6.19	-49.56
C[NH+](C)CCSCC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020158841	0	42	0.0	-67.58	355.70	5.91	-61.67
C[NH+](C)CCSCC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020158841	1	42	0.0	-67.59	355.64	5.88	-61.71
O=C(CCC1=C(Br)SC=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020158842	0	36	-1.0	-40.71	343.61	6.58	-34.13
O=C(CCC1=C(Br)SC=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020158842	1	36	-1.0	-40.67	343.66	6.61	-34.06
CN1C=C(Br)C(=O)C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020158843	0	36	-1.0	-56.81	333.59	5.68	-51.13
CN1C=C(Br)C(=O)C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020158843	1	36	-1.0	-56.79	333.53	5.66	-51.13
CC(C)(C)OC1CC(CC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C1(C)C	REAL300020158844	0	55	-1.0	-45.85	426.10	7.56	-38.29
CC(C)(C)OC1CC(CC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C1(C)C	REAL300020158844	1	55	-1.0	-45.84	426.16	7.58	-38.26
O=C(NC1=NC=CN1)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020158845	0	34	-1.0	-47.52	304.76	3.22	-44.30
O=C(NC1=NC=CN1)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020158845	1	34	-1.0	-47.48	304.70	3.20	-44.28
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C12CC(C1)CN2C1CC1	REAL300020158846	0	43	-1.0	-40.01	344.12	4.74	-35.27
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C12CC(C1)CN2C1CC1	REAL300020158846	1	43	-1.0	-39.98	344.17	4.76	-35.22
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C12CC(C1)C[N@@H+]2C1CC1	REAL300020158846	1	44	0.0	-56.93	345.60	6.61	-50.32
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C12CC(C1)C[N@H+]2C1CC1	REAL300020158846	1	44	0.0	-61.41	345.82	7.11	-54.30
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C(F)=CC1=CNC=N1	REAL300020158847	0	34	-1.0	-53.20	309.18	4.80	-48.40
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C(F)=CC1=CNC=N1	REAL300020158847	1	34	-1.0	-53.19	309.12	4.77	-48.42
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1(CC2=NNN=C2)CCOCC1	REAL300020158848	0	46	-1.0	-43.48	361.79	3.05	-40.43
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1(CC2=NNN=C2)CCOCC1	REAL300020158848	1	46	-1.0	-43.43	361.73	3.03	-40.40
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=NN=C2C(Br)=CC=CN12	REAL300020158849	0	35	-1.0	-49.22	332.38	6.41	-42.81
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=NN=C2C(Br)=CC=CN12	REAL300020158849	1	35	-1.0	-49.18	332.32	6.39	-42.79
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1CC2=CC=CC=C2NC1=O	REAL300020158850	0	41	-1.0	-42.99	348.48	4.52	-38.47
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CC1(C)C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CCS1(=O)=O	REAL300020158939	0	42	-1.0	-48.22	347.84	2.47	-45.75
CC1(C)C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CCS1(=O)=O	REAL300020158939	1	42	-1.0	-48.16	347.78	2.44	-45.72
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CC(C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)C(C)C1=CC=C(F)C=C1	REAL300020158947	0	45	-1.0	-40.00	371.58	8.04	-31.96
CC(C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)C(C)C1=CC=C(F)C=C1	REAL300020158947	1	45	-1.0	-39.98	371.52	8.02	-31.96
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CC1CCC(CC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CC1C	REAL300020159039	0	48	-1.0	-52.13	364.08	7.36	-44.77
CC1CCC(CC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CC1C	REAL300020159039	1	48	-1.0	-52.13	364.02	7.33	-44.80
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CC(=O)C1=CC(Cl)=CC=C1OC(C)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020159102	0	45	-1.0	-60.02	396.30	8.57	-51.45
CC(=O)C1=CC(Cl)=CC=C1OC(C)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020159102	1	45	-1.0	-60.03	396.36	8.59	-51.44
CO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020159103	0	53	-1.0	-41.22	424.73	3.08	-38.14
CO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020159103	1	53	-1.0	-41.20	424.79	3.11	-38.09
CCC(C)C1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(=O)N1	REAL300020159104	0	45	-1.0	-55.24	369.93	5.43	-49.81
CCC(C)C1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(=O)N1	REAL300020159104	1	45	-1.0	-55.27	369.87	5.41	-49.86
CC1=CC(C(C)(C)C)=CC=C1OC(C)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020159105	0	55	-1.0	-42.78	436.06	9.63	-33.15
CC1=CC(C(C)(C)C)=CC=C1OC(C)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020159105	1	55	-1.0	-42.79	436.12	9.66	-33.13
CC1=CC(Cl)=CC=C1O[C@@H](C)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020159106	0	43	-1.0	-42.37	375.98	7.83	-34.54
CC1=CC(Cl)=CC=C1O[C@@H](C)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020159106	1	43	-1.0	-42.37	376.04	7.86	-34.51
CC1=CC=C(OC(C)C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(C)=C1	REAL300020159107	0	46	-1.0	-43.25	381.35	8.00	-35.25
CC1=CC=C(OC(C)C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(C)=C1	REAL300020159107	1	46	-1.0	-43.26	381.30	7.98	-35.28
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O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=C(Cl)SC2=C1SN=N2	REAL300020159111	1	31	-1.0	-39.85	324.48	3.87	-35.98
COC(=O)C1=COC2=C1NC(C(=O)NC1=CC=CC(CC3=NN=N[N-]3)=C1)=C2	REAL300020159112	0	40	-1.0	-54.35	360.00	4.36	-49.99
COC(=O)C1=COC2=C1NC(C(=O)NC1=CC=CC(CC3=N[N-]N=N3)=C1)=C2	REAL300020159112	1	40	-1.0	-54.34	359.95	4.33	-50.01
COC(=O)C1=COC2=C1[N-]C(C(=O)NC1=CC=CC(CC3=NN=N[N-]3)=C1)=C2	REAL300020159112	1	39	-2.0	-103.92	357.72	3.89	-100.03
COC(=O)C1=COC2=C1[N-]C(C(=O)NC1=CC=CC(CC3=N[N-]N=N3)=C1)=C2	REAL300020159112	1	39	-2.0	-103.93	357.66	3.86	-100.07
COC(=O)C1=CC(C)=C2C=C(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)NC2=C1	REAL300020159113	0	46	-1.0	-51.88	397.78	6.76	-45.12
COC(=O)C1=CC(C)=C2C=C(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)NC2=C1	REAL300020159113	1	46	-1.0	-51.92	397.73	6.74	-45.18
CC1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)N=C(C2=NNC=N2)S1	REAL300020159114	0	38	-1.0	-48.49	350.79	4.28	-44.21
CC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)N=C(C2=NNC=N2)S1	REAL300020159114	1	38	-1.0	-48.52	350.74	4.26	-44.26
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC(CC2=CC=CC=C2)=CN1	REAL300020159115	0	44	-1.0	-57.36	379.00	7.82	-49.54
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COC(=O)C1=CC=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1C	REAL300020159116	0	42	-1.0	-47.95	353.34	6.75	-41.20
COC(=O)C1=CC=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1C	REAL300020159116	1	42	-1.0	-47.89	353.28	6.72	-41.17
C=CCCC(CC(C)C)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020159117	0	48	-1.0	-42.17	380.16	8.16	-34.01
C=CCCC(CC(C)C)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020159117	1	48	-1.0	-42.16	380.10	8.14	-34.02
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C=CCC(CC(C)C)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020159118	1	45	-1.0	-39.51	360.72	7.11	-32.40
CC(C)(C)OC(=O)NC1(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CC=CC1	REAL300020159119	0	51	-1.0	-45.59	407.82	4.69	-40.90
CC(C)(C)OC(=O)NC1(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CC=CC1	REAL300020159119	1	51	-1.0	-45.57	407.76	4.67	-40.90
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CC(C)(C)C1CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=NO1	REAL300020159121	0	43	-1.0	-44.99	353.29	4.66	-40.33
CC(C)(C)C1CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=NO1	REAL300020159121	1	43	-1.0	-44.98	353.24	4.64	-40.34
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CC(C)COC(C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)C(C)C	REAL300020159124	0	48	-1.0	-45.57	387.59	7.10	-38.47
CC(C)COC(C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)C(C)C	REAL300020159124	1	48	-1.0	-45.57	387.53	7.08	-38.49
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1CC2=CC(Br)=CN=C2C1	REAL300020159125	0	39	-1.0	-43.78	351.41	6.10	-37.68
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CC1=C2C=C(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)N=CC2=NN1	REAL300020159126	0	38	-1.0	-52.97	333.94	3.17	-49.80
CC1=C2C=C(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)N=CC2=NN1	REAL300020159126	1	38	-1.0	-52.95	333.88	3.15	-49.80
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CN(CC(F)(F)F)C=N1	REAL300020159127	0	36	-1.0	-55.25	334.83	6.08	-49.17
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O=C(CCCCC1CSSC1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020159128	1	44	-1.0	-50.13	381.10	8.72	-41.41
CNC(=O)N1CCC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CC1	REAL300020159129	0	45	-1.0	-48.31	363.65	3.52	-44.79
CNC(=O)N1CCC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CC1	REAL300020159129	1	45	-1.0	-48.25	363.59	3.49	-44.76
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CCCC(OC1=CC=C(Cl)C=C1C)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020159131	0	49	-1.0	-41.77	412.51	9.15	-32.62
CCCC(OC1=CC=C(Cl)C=C1C)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020159131	1	49	-1.0	-41.73	412.57	9.17	-32.56
CC1=CC2=CC=CN=C2C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020159132	0	41	-1.0	-63.38	349.05	7.03	-56.35
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CC1OC2(C)CC1(C(=O)NC1=CC=CC(CC3=NN=N[N-]3)=C1)C2	REAL300020159135	0	41	-1.0	-42.43	337.00	4.29	-38.14
CC1OC2(C)CC1(C(=O)NC1=CC=CC(CC3=N[N-]N=N3)=C1)C2	REAL300020159135	1	41	-1.0	-42.41	336.94	4.27	-38.14
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CN1C=C(C2=CC=CC=C2C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=N1	REAL300020159137	0	43	-1.0	-53.18	364.37	6.84	-46.34
CN1C=C(C2=CC=CC=C2C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=N1	REAL300020159137	1	43	-1.0	-53.14	364.32	6.82	-46.32
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CC1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C2=CC=CN=C2C=C1	REAL300020159139	0	41	-1.0	-44.38	351.13	6.20	-38.18
CC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C2=CC=CN=C2C=C1	REAL300020159139	1	41	-1.0	-44.40	351.08	6.18	-38.22
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COC1(C2=CC=CC(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=C2)COC1	REAL300020159141	0	45	-1.0	-44.58	369.12	4.86	-39.72
COC1(C2=CC=CC(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=C2)COC1	REAL300020159141	1	45	-1.0	-44.58	369.06	4.83	-39.75
COCCN1C=CC2=C(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=CC=C21	REAL300020159142	0	47	-1.0	-58.30	395.67	7.25	-51.05
COCCN1C=CC2=C(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=CC=C21	REAL300020159142	1	47	-1.0	-58.30	395.61	7.23	-51.07
CC(C)N1C=CC2=C(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=CC=C21	REAL300020159143	0	46	-1.0	-59.21	380.08	8.67	-50.54
CC(C)N1C=CC2=C(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=CC=C21	REAL300020159143	1	46	-1.0	-59.21	380.03	8.65	-50.56
C[C@@H](C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C(F)C=C1	REAL300020159144	0	39	-1.0	-41.41	335.34	6.83	-34.58
C[C@@H](C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C(F)C=C1	REAL300020159144	1	39	-1.0	-41.43	335.28	6.81	-34.62
CCC(CC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)CC(F)(F)F	REAL300020159145	0	41	-1.0	-42.90	337.58	6.03	-36.87
CCC(CC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)CC(F)(F)F	REAL300020159145	1	41	-1.0	-42.90	337.64	6.06	-36.84
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=NN1CC1CC1	REAL300020159146	0	40	-1.0	-51.26	332.06	6.14	-45.12
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=NN1CC1CC1	REAL300020159146	1	40	-1.0	-51.29	332.00	6.11	-45.18
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1CCC(F)(F)CO1	REAL300020159147	0	37	-1.0	-44.85	319.59	4.71	-40.14
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1CCC(F)(F)CO1	REAL300020159147	1	37	-1.0	-44.88	319.53	4.69	-40.19
C[C@@H]1C[C@H](C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C[C@H](C)O1	REAL300020159148	0	43	-1.0	-40.84	348.22	4.92	-35.92
C[C@@H]1C[C@H](C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C[C@H](C)O1	REAL300020159148	1	43	-1.0	-40.80	348.16	4.89	-35.91
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C12COC(C1)CCC2	REAL300020159149	0	41	-1.0	-43.24	324.16	4.20	-39.04
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C12COC(C1)CCC2	REAL300020159149	1	41	-1.0	-43.18	324.10	4.18	-39.00
CC12CCC(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)(CO1)C2	REAL300020159150	0	41	-1.0	-50.95	334.92	4.27	-46.68
CC12CCC(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)(CO1)C2	REAL300020159150	1	41	-1.0	-50.92	334.86	4.25	-46.67
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC(C2=CC=C(F)C=C2)=NS1	REAL300020159151	0	39	-1.0	-39.98	359.58	6.86	-33.12
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC(C2=CC=C(F)C=C2)=NS1	REAL300020159151	1	39	-1.0	-39.92	359.52	6.84	-33.08
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC(C2=CC=C(Cl)C=C2)=NS1	REAL300020159152	0	39	-1.0	-39.64	369.90	7.31	-32.33
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC(C2=CC=C(Cl)C=C2)=NS1	REAL300020159152	1	39	-1.0	-39.63	369.84	7.29	-32.34
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC(C2=CC=CC(Cl)=C2)=NS1	REAL300020159153	0	39	-1.0	-50.85	370.18	7.29	-43.56
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC(C2=CC=CC(Cl)=C2)=NS1	REAL300020159153	1	39	-1.0	-50.82	370.13	7.27	-43.55
CC1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)NC2=CC(F)=CC(F)=C21	REAL300020159154	0	40	-1.0	-39.53	350.49	6.25	-33.28
CC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)NC2=CC(F)=CC(F)=C21	REAL300020159154	1	40	-1.0	-39.53	350.44	6.23	-33.30
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C(Cl)C(F)=C1F	REAL300020159155	0	33	-1.0	-58.92	315.61	6.20	-52.72
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C(Cl)C(F)=C1F	REAL300020159155	1	33	-1.0	-58.88	315.55	6.17	-52.71
COC(=O)CC1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020159156	0	42	-1.0	-46.28	365.58	6.99	-39.29
COC(=O)CC1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020159156	1	42	-1.0	-46.26	365.52	6.97	-39.29
NC1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C(F)C(F)=C1F	REAL300020159157	0	35	-1.0	-45.81	317.08	3.99	-41.82
NC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C(F)C(F)=C1F	REAL300020159157	1	35	-1.0	-45.82	317.02	3.97	-41.85
CC(C)(C)OC(=O)N1CCC1(C)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020159158	0	50	-1.0	-45.46	406.66	5.30	-40.16
CC(C)(C)OC(=O)N1CCC1(C)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020159158	1	50	-1.0	-45.45	406.71	5.32	-40.13
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=C(Br)C=CN=C1F	REAL300020159159	0	32	-1.0	-53.89	313.72	4.12	-49.77
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=C(Br)C=CN=C1F	REAL300020159159	1	32	-1.0	-53.88	313.67	4.09	-49.79
NC1=C(F)C=C(F)C(F)=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020159160	0	35	-1.0	-40.04	323.43	3.51	-36.53
NC1=C(F)C=C(F)C(F)=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020159160	1	35	-1.0	-40.05	323.38	3.49	-36.56
CC(C)(C)OC(=O)NCC1=NC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CO1	REAL300020159161	0	49	-1.0	-43.80	416.07	0.66	-43.14
CC(C)(C)OC(=O)NCC1=NC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CO1	REAL300020159161	1	49	-1.0	-43.79	416.12	0.68	-43.11
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C2C(=C1)CCCS2(=O)=O	REAL300020159162	0	43	-1.0	-50.32	369.81	4.10	-46.22
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C2C(=C1)CCCS2(=O)=O	REAL300020159162	1	43	-1.0	-50.28	369.76	4.07	-46.21
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1CC2(CC2F)C1	REAL300020159163	0	37	-1.0	-40.70	319.11	6.02	-34.68
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1CC2(CC2F)C1	REAL300020159163	1	37	-1.0	-40.68	319.05	5.99	-34.69
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=NN2CC(F)CC2=C1	REAL300020159164	0	37	-1.0	-57.25	324.55	4.27	-52.98
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=NN2CC(F)CC2=C1	REAL300020159164	1	37	-1.0	-57.24	324.49	4.25	-52.99
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C12CCN(CCC1)S2(=O)=O	REAL300020159165	0	42	-1.0	-58.37	347.01	1.79	-56.58
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C12CCN(CCC1)S2(=O)=O	REAL300020159165	1	42	-1.0	-58.36	346.96	1.77	-56.59
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=CN=C1OC1=CC=CN=C1	REAL300020159166	0	42	-1.0	-48.04	366.79	5.26	-42.78
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=CN=C1OC1=CC=CN=C1	REAL300020159166	1	42	-1.0	-48.03	366.74	5.23	-42.80
CC1=CC=CC(C2(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)CC2(F)F)=C1	REAL300020159167	0	43	-1.0	-46.83	373.08	8.35	-38.48
CC1=CC=CC(C2(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)CC2(F)F)=C1	REAL300020159167	1	43	-1.0	-46.80	373.02	8.32	-38.48
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=C(C2CC2)ON=C1Br	REAL300020159168	0	36	-1.0	-39.37	343.36	5.83	-33.54
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=C(C2CC2)ON=C1Br	REAL300020159168	1	36	-1.0	-39.38	343.42	5.85	-33.53
N#CC1(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CC2C=CC1C2	REAL300020159169	0	39	-1.0	-47.78	327.90	6.05	-41.73
N#CC1(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CC2C=CC1C2	REAL300020159169	1	39	-1.0	-47.79	327.85	6.02	-41.77
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC2=C(N1)C(Br)=CO2	REAL300020159170	0	34	-1.0	-51.25	324.51	4.19	-47.06
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC2=C(N1)C(Br)=CO2	REAL300020159170	1	34	-1.0	-51.22	324.45	4.17	-47.05
CC1=CC2=C(C=C(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)N2)O1	REAL300020159171	0	37	-1.0	-54.47	324.71	4.40	-50.07
CC1=CC2=C(C=C(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)N2)O1	REAL300020159171	1	37	-1.0	-54.45	324.65	4.38	-50.07
CC(C)C1=CNC2=CC(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=NC2=C1	REAL300020159172	0	45	-1.0	-56.90	378.52	5.60	-51.30
CC(C)C1=CNC2=CC(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=NC2=C1	REAL300020159172	1	45	-1.0	-56.84	378.47	5.58	-51.26
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=NC2=CC(Br)=CNC2=N1	REAL300020159174	0	35	-1.0	-67.47	334.55	4.18	-63.29
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=NC2=CC(Br)=CNC2=N1	REAL300020159174	1	35	-1.0	-67.46	334.49	4.16	-63.30
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)[C@@H]1C[C@H]1C1=CC=CC=C1Br	REAL300020159175	0	40	-1.0	-49.53	359.39	8.06	-41.47
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)[C@@H]1C[C@H]1C1=CC=CC=C1Br	REAL300020159175	1	40	-1.0	-49.52	359.44	8.08	-41.44
C=CCN(CCC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)C(=O)OC(C)(C)C	REAL300020159176	0	53	-1.0	-43.86	430.80	7.04	-36.82
C=CCN(CCC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)C(=O)OC(C)(C)C	REAL300020159176	1	53	-1.0	-43.88	430.86	7.07	-36.81
CC1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=CC2=CC=CC=C21	REAL300020159177	0	42	-1.0	-44.05	346.27	8.41	-35.64
CC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=CC2=CC=CC=C21	REAL300020159177	1	42	-1.0	-44.03	346.21	8.39	-35.64
COC1=CC=CC(CCC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020159178	0	42	-1.0	-42.59	361.03	3.79	-38.80
COC1=CC=CC(CCC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020159178	1	42	-1.0	-42.59	360.97	3.77	-38.82
CN1N=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C2=C1CCOC2	REAL300020159179	0	41	-1.0	-56.02	345.80	3.33	-52.69
CN1N=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C2=C1CCOC2	REAL300020159179	1	41	-1.0	-56.03	345.75	3.30	-52.73
CC1=CC=CC([C@@H](C)C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020159180	0	42	-1.0	-41.43	350.34	7.43	-34.00
CC1=CC=CC([C@@H](C)C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020159180	1	42	-1.0	-41.41	350.29	7.41	-34.00
COC1=CC(C)=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=N1	REAL300020159181	0	39	-1.0	-40.35	332.02	2.99	-37.36
COC1=CC(C)=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=N1	REAL300020159181	1	39	-1.0	-40.37	331.96	2.97	-37.40
CC1=CC=C(C2(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)CCC(=O)CC2)C=C1	REAL300020159182	0	51	-1.0	-41.72	399.84	8.76	-32.96
CC1=CC=C(C2(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)CCC(=O)CC2)C=C1	REAL300020159182	1	51	-1.0	-41.72	399.78	8.73	-32.99
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1(C2CCOCC2)CC1(F)F	REAL300020159183	0	44	-1.0	-46.14	358.43	5.69	-40.45
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1(C2CCOCC2)CC1(F)F	REAL300020159183	1	44	-1.0	-46.17	358.49	5.71	-40.46
CN1C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC2=C1C=CS2	REAL300020159184	0	37	-1.0	-45.04	328.31	6.37	-38.67
CN1C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC2=C1C=CS2	REAL300020159184	1	37	-1.0	-45.00	328.25	6.35	-38.65
CC1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=NN1CC(F)F	REAL300020159185	0	39	-1.0	-46.17	343.87	4.94	-41.23
CC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=NN1CC(F)F	REAL300020159185	1	39	-1.0	-46.18	343.81	4.91	-41.27
CC1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=NN1C1CCC1	REAL300020159186	0	43	-1.0	-44.72	357.01	6.03	-38.69
CC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=NN1C1CCC1	REAL300020159186	1	43	-1.0	-44.68	356.95	6.00	-38.68
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=C2CCCCC2=CN1	REAL300020159187	0	41	-1.0	-55.55	336.47	5.83	-49.72
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=C2CCCCC2=CN1	REAL300020159187	1	41	-1.0	-55.51	336.42	5.81	-49.70
COCCOCC=CC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020159188	0	41	-1.0	-57.60	355.61	3.13	-54.47
COCCOCC=CC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020159188	1	41	-1.0	-57.61	355.55	3.11	-54.50
COC1(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CN(C(=O)OC(C)(C)C)C1	REAL300020159189	0	51	-1.0	-44.35	410.50	4.52	-39.83
COC1(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CN(C(=O)OC(C)(C)C)C1	REAL300020159189	1	51	-1.0	-44.33	410.56	4.54	-39.79
CC[C@H](CC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)C(C)C	REAL300020159190	0	44	-1.0	-42.44	336.19	6.18	-36.26
CC[C@H](CC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)C(C)C	REAL300020159190	1	44	-1.0	-42.43	336.13	6.16	-36.27
CC1=C(CC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)SC=C1	REAL300020159191	0	36	-1.0	-47.38	322.64	5.93	-41.45
CC1=C(CC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)SC=C1	REAL300020159191	1	36	-1.0	-47.35	322.59	5.90	-41.45
CCC(C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)N1C=NC=N1	REAL300020159192	0	38	-1.0	-44.38	324.73	6.08	-38.30
CCC(C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)N1C=NC=N1	REAL300020159192	1	38	-1.0	-44.33	324.68	6.06	-38.27
CC1=NN(CC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(C)=C1C	REAL300020159193	0	42	-1.0	-47.87	354.57	5.29	-42.58
CC1=NN(CC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(C)=C1C	REAL300020159193	1	42	-1.0	-47.88	354.51	5.27	-42.61
CN1C=C(NC(=O)OC(C)(C)C)C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020159194	0	50	-1.0	-51.85	412.93	3.70	-48.15
CN1C=C(NC(=O)OC(C)(C)C)C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020159194	1	50	-1.0	-51.84	412.98	3.72	-48.12
C#CCC1(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CCOC1	REAL300020159195	0	39	-1.0	-45.20	326.08	4.62	-40.58
C#CCC1(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CCOC1	REAL300020159195	1	39	-1.0	-45.19	326.02	4.60	-40.59
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=CC(Cl)=C1C(F)(F)F	REAL300020159196	0	36	-1.0	-50.07	335.00	6.79	-43.28
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=CC(Cl)=C1C(F)(F)F	REAL300020159196	1	36	-1.0	-50.08	334.94	6.76	-43.32
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1(C2=CC=C(Cl)C=C2F)CC1	REAL300020159197	0	40	-1.0	-43.13	363.22	8.01	-35.12
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1(C2=CC=C(Cl)C=C2F)CC1	REAL300020159197	1	40	-1.0	-43.15	363.16	7.99	-35.16
CC(=O)C1=NC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CS1	REAL300020159198	0	34	-1.0	-53.98	320.70	3.14	-50.84
CC(=O)C1=NC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CS1	REAL300020159198	1	34	-1.0	-53.98	320.64	3.12	-50.86
COC1=NN(C)C(Br)=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020159199	0	37	-1.0	-53.22	348.70	1.65	-51.57
COC1=NN(C)C(Br)=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020159199	1	37	-1.0	-53.24	348.64	1.62	-51.62
CC(=O)NC1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(F)=C1	REAL300020159200	0	40	-1.0	-60.02	348.92	4.56	-55.46
CC(=O)NC1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(F)=C1	REAL300020159200	1	40	-1.0	-60.05	348.87	4.53	-55.52
O=C(CC1=CC(C(F)(F)F)=CO1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020159201	0	36	-1.0	-44.00	334.81	5.42	-38.58
O=C(CC1=CC(C(F)(F)F)=CO1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020159201	1	36	-1.0	-43.99	334.87	5.44	-38.55
CS(=O)(=O)C1(C2=CC=CC(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=C2)CC1	REAL300020159202	0	46	-1.0	-53.88	402.28	5.11	-48.77
CS(=O)(=O)C1(C2=CC=CC(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=C2)CC1	REAL300020159202	1	46	-1.0	-53.86	402.23	5.09	-48.77
CC1=C2C=C(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)SC2=C(C)S1	REAL300020159203	0	39	-1.0	-51.54	362.44	7.52	-44.02
CC1=C2C=C(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)SC2=C(C)S1	REAL300020159203	1	39	-1.0	-51.58	362.38	7.50	-44.08
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CN2N=CC=C2C=C1	REAL300020159204	0	36	-1.0	-43.54	315.73	5.33	-38.21
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CN2N=CC=C2C=C1	REAL300020159204	1	36	-1.0	-43.50	315.67	5.31	-38.19
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1CCCC2=NN=CN21	REAL300020159205	0	39	-1.0	-46.90	323.14	6.40	-40.50
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1CCCC2=NN=CN21	REAL300020159205	1	39	-1.0	-46.86	323.09	6.38	-40.48
CC1(C)CCCC(CC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)O1	REAL300020159206	0	46	-1.0	-42.90	362.07	6.24	-36.66
CC1(C)CCCC(CC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)O1	REAL300020159206	1	46	-1.0	-42.90	362.02	6.22	-36.68
COC(C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=CN=C1	REAL300020159207	0	39	-1.0	-46.49	340.15	4.49	-42.00
COC(C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=CN=C1	REAL300020159207	1	39	-1.0	-46.42	340.09	4.47	-41.95
CCN1C(=O)CCC1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020159208	0	40	-1.0	-46.60	338.61	4.69	-41.91
CCN1C(=O)CCC1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020159208	1	40	-1.0	-46.58	338.55	4.67	-41.91
C[C@]12CCCN1S(=O)(=O)[C@H](C(=O)NC1=CC=CC(CC3=N[N-]N=N3)=C1)C2	REAL300020159209	0	45	-1.0	-49.44	362.04	2.29	-47.15
C[C@]12CCCN1S(=O)(=O)[C@H](C(=O)NC1=CC=CC(CC3=NN=N[N-]3)=C1)C2	REAL300020159209	1	45	-1.0	-49.46	362.10	2.31	-47.15
O=C(CN1C=CC2=CC(F)=CC=C21)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020159210	0	40	-1.0	-45.53	352.90	7.79	-37.74
O=C(CN1C=CC2=CC(F)=CC=C21)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020159210	1	40	-1.0	-45.49	352.84	7.76	-37.73
CC1(C)CC(=O)C2=C(C1)OC(=O)C(C(=O)NC1=CC=CC(CC3=N[N-]N=N3)=C1)=C2	REAL300020159211	0	47	-1.0	-49.45	391.12	7.41	-42.04
CC1(C)CC(=O)C2=C(C1)OC(=O)C(C(=O)NC1=CC=CC(CC3=NN=N[N-]3)=C1)=C2	REAL300020159211	1	47	-1.0	-49.47	391.18	7.44	-42.03
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC2=C(CCCC2=O)OC1=O	REAL300020159212	0	41	-1.0	-51.12	354.21	6.42	-44.70
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC2=C(CCCC2=O)OC1=O	REAL300020159212	1	41	-1.0	-51.13	354.15	6.40	-44.73
COC1=CC2=NC=CC(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=C2C=C1	REAL300020159213	0	42	-1.0	-53.72	354.16	5.25	-48.47
COC1=CC2=NC=CC(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=C2C=C1	REAL300020159213	1	42	-1.0	-53.70	354.10	5.22	-48.48
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=NC2=C1CCC2	REAL300020159214	0	39	-1.0	-43.94	326.20	5.64	-38.30
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=NC2=C1CCC2	REAL300020159214	1	39	-1.0	-43.92	326.14	5.61	-38.31
CCSC1CCC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CC1	REAL300020159215	0	46	-1.0	-42.94	370.57	7.56	-35.38
CCSC1CCC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CC1	REAL300020159215	1	46	-1.0	-42.96	370.63	7.58	-35.38
CC1=CC(CCC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC(C)=N1	REAL300020159216	0	44	-1.0	-42.50	372.68	6.47	-36.03
CC1=CC(CCC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC(C)=N1	REAL300020159216	1	44	-1.0	-42.51	372.74	6.50	-36.01
CC1=CC2=CC=C(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=C2C=C1	REAL300020159217	0	42	-1.0	-54.44	356.03	8.47	-45.97
CC1=CC2=CC=C(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=C2C=C1	REAL300020159217	1	42	-1.0	-54.41	355.98	8.45	-45.96
O=C(CCC1=CC=CC(=O)N1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020159218	0	39	-1.0	-55.44	339.27	3.83	-51.61
O=C(CCC1=CC=CC(=O)N1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020159218	1	39	-1.0	-55.42	339.21	3.80	-51.62
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CSC(Cl)=C1Cl	REAL300020159219	0	30	-1.0	-55.31	309.94	5.60	-49.71
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CSC(Cl)=C1Cl	REAL300020159219	1	30	-1.0	-55.32	309.88	5.57	-49.75
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=CC(N2CCOCC2=O)=C1	REAL300020159220	0	45	-1.0	-49.11	380.94	5.00	-44.11
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=CC(N2CCOCC2=O)=C1	REAL300020159220	1	45	-1.0	-49.09	380.88	4.97	-44.12
CC1=NN(C2CCC2)C=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020159221	0	43	-1.0	-45.69	356.79	5.91	-39.78
CC1=NN(C2CCC2)C=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020159221	1	43	-1.0	-45.67	356.73	5.88	-39.79
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CN(C2=CC=CC(F)=C2)N=C1	REAL300020159222	0	40	-1.0	-43.08	356.00	6.79	-36.29
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CN(C2=CC=CC(F)=C2)N=C1	REAL300020159222	1	40	-1.0	-43.04	355.94	6.76	-36.28
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CNC=C1Br	REAL300020159223	0	31	-1.0	-46.29	295.34	4.05	-42.24
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CNC=C1Br	REAL300020159223	1	31	-1.0	-46.26	295.29	4.03	-42.23
O=C(CCNC(=O)C1=CC=CC(Cl)=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020159224	0	43	-1.0	-50.98	386.39	5.16	-45.82
O=C(CCNC(=O)C1=CC=CC(Cl)=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020159224	1	43	-1.0	-50.98	386.44	5.19	-45.79
CCC1=C(C)SC=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020159225	0	39	-1.0	-52.17	336.99	6.61	-45.56
CCC1=C(C)SC=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020159225	1	39	-1.0	-52.20	336.93	6.58	-45.62
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1CC(OC(F)(F)F)C1	REAL300020159226	0	37	-1.0	-39.56	332.10	4.07	-35.49
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1CC(OC(F)(F)F)C1	REAL300020159226	1	37	-1.0	-39.55	332.16	4.09	-35.46
CS(=O)(=O)C1=COC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020159227	0	36	-1.0	-59.74	335.87	1.02	-58.72
CS(=O)(=O)C1=COC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020159227	1	36	-1.0	-59.75	335.82	1.00	-58.75
O=C(CC1=CC=C2COCCC2=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020159228	0	44	-1.0	-43.92	366.95	6.32	-37.60
O=C(CC1=CC=C2COCCC2=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020159228	1	44	-1.0	-43.92	366.89	6.30	-37.62
O=C(CC1=CC=C2CCOCC2=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020159229	0	44	-1.0	-43.88	366.96	6.32	-37.56
O=C(CC1=CC=C2CCOCC2=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020159229	1	44	-1.0	-43.88	366.91	6.30	-37.58
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CN=CC(C2=CC=CC(F)=C2)=C1	REAL300020159230	0	42	-1.0	-41.42	364.40	7.24	-34.18
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CN=CC(C2=CC=CC(F)=C2)=C1	REAL300020159230	1	42	-1.0	-41.46	364.34	7.22	-34.24
CC1=NC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC=C1Br	REAL300020159231	0	35	-1.0	-47.55	325.53	4.96	-42.59
CC1=NC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC=C1Br	REAL300020159231	1	35	-1.0	-47.57	325.48	4.94	-42.63
COC1=CC(Br)=CN=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020159232	0	36	-1.0	-51.37	334.65	4.91	-46.46
COC1=CC(Br)=CN=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020159232	1	36	-1.0	-51.34	334.59	4.88	-46.46
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C2C(=C1)C(=O)CCS2(=O)=O	REAL300020159233	0	42	-1.0	-51.19	371.75	3.18	-48.01
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C2C(=C1)C(=O)CCS2(=O)=O	REAL300020159233	1	42	-1.0	-51.12	371.81	3.21	-47.91
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1CCOC(=O)CC1	REAL300020159234	0	39	-1.0	-52.92	322.65	4.95	-47.97
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1CCOC(=O)CC1	REAL300020159234	1	39	-1.0	-52.92	322.59	4.92	-48.00
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C2SCCC(=O)C2=C1	REAL300020159235	0	40	-1.0	-45.95	352.80	6.86	-39.09
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C2SCCC(=O)C2=C1	REAL300020159235	1	40	-1.0	-45.96	352.74	6.84	-39.12
CCN1N=NC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1C	REAL300020159236	0	38	-1.0	-45.43	327.82	3.28	-42.15
CCN1N=NC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1C	REAL300020159236	1	38	-1.0	-45.39	327.76	3.26	-42.13
CCC1=CC=C(N2C=C(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)N=N2)C=C1	REAL300020159237	0	45	-1.0	-48.29	388.79	6.70	-41.59
CCC1=CC=C(N2C=C(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)N=N2)C=C1	REAL300020159237	1	45	-1.0	-48.32	388.73	6.68	-41.64
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C2C(=O)NC(=S)[N-]C2=C1	REAL300020159238	0	38	-2.0	-79.71	352.63	4.20	-75.51
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C2C(=O)NC(=S)[N-]C2=C1	REAL300020159238	1	38	-2.0	-79.67	352.58	4.17	-75.50
CC1=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CN(C)C1=O	REAL300020159239	0	39	-1.0	-43.97	334.05	5.03	-38.94
CC1=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CN(C)C1=O	REAL300020159239	1	39	-1.0	-43.94	333.99	5.00	-38.94
O=C(CC1CCCC(F)(F)C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020159240	0	42	-1.0	-47.61	343.86	6.62	-40.99
O=C(CC1CCCC(F)(F)C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020159240	1	42	-1.0	-47.62	343.92	6.65	-40.97
CC(C)CC(CCC1=CC=CC=C1)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020159241	0	54	-1.0	-43.11	424.40	10.15	-32.96
CC(C)CC(CCC1=CC=CC=C1)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020159241	1	54	-1.0	-43.10	424.45	10.18	-32.92
O=C(CC1CC(C(F)F)C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020159242	0	39	-1.0	-42.84	334.96	6.21	-36.63
O=C(CC1CC(C(F)F)C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020159242	1	39	-1.0	-42.82	334.91	6.19	-36.63
CCC1=NC2=CC(F)=CC=C2C=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020159243	0	44	-1.0	-41.15	370.80	7.38	-33.77
CCC1=NC2=CC(F)=CC=C2C=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020159243	1	44	-1.0	-41.18	370.74	7.35	-33.83
CC1=NN=NN1C1=CC(F)=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020159244	0	41	-1.0	-46.87	362.37	5.64	-41.23
CC1=NN=NN1C1=CC(F)=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020159244	1	41	-1.0	-46.85	362.31	5.61	-41.24
CC1(C)CCC(=O)C2=CC(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=CC=C21	REAL300020159245	0	48	-1.0	-64.12	387.10	7.98	-56.14
CC1(C)CCC(=O)C2=CC(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=CC=C21	REAL300020159245	1	48	-1.0	-64.13	387.04	7.96	-56.17
CC1=CC(Cl)=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)S1	REAL300020159246	0	33	-1.0	-53.33	316.27	5.87	-47.46
CC1=CC(Cl)=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)S1	REAL300020159246	1	33	-1.0	-53.31	316.21	5.84	-47.47
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1CCC(=O)N(C2CC2)C1	REAL300020159247	0	44	-1.0	-45.64	358.13	5.23	-40.41
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1CCC(=O)N(C2CC2)C1	REAL300020159247	1	44	-1.0	-45.67	358.07	5.20	-40.47
O=C(CC1=CC=C(N2CCOCC2)C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020159248	0	49	-1.0	-43.56	397.20	5.05	-38.51
O=C(CC1=CC=C(N2CCOCC2)C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020159248	1	49	-1.0	-43.57	397.25	5.07	-38.50
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)[C@@H]1C[C@H]1C1=CC=C2OCCOC2=C1	REAL300020159249	0	46	-1.0	-47.19	385.58	6.72	-40.47
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)[C@@H]1C[C@H]1C1=CC=C2OCCOC2=C1	REAL300020159249	1	46	-1.0	-47.22	385.64	6.74	-40.48
N#CC1=CN=C(Cl)C=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020159250	0	33	-1.0	-57.43	318.22	4.46	-52.97
N#CC1=CN=C(Cl)C=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020159250	1	33	-1.0	-57.41	318.16	4.44	-52.97
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=CC2=C1C(=O)NC2	REAL300020159251	0	38	-1.0	-55.34	325.21	4.43	-50.91
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=CC2=C1C(=O)NC2	REAL300020159251	1	38	-1.0	-55.34	325.15	4.40	-50.94
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1CCC(=O)N(CC(F)(F)F)C1	REAL300020159252	0	43	-1.0	-45.04	367.23	5.05	-39.99
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1CCC(=O)N(CC(F)(F)F)C1	REAL300020159252	1	43	-1.0	-45.07	367.28	5.08	-39.99
CCC1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1Cl	REAL300020159253	0	39	-1.0	-40.21	345.19	7.39	-32.82
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CC(C)N1C=CC2=CC(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=CC=C21	REAL300020159264	0	46	-1.0	-44.03	382.22	8.68	-35.35
CC(C)N1C=CC2=CC(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=CC=C21	REAL300020159264	1	46	-1.0	-43.98	382.16	8.66	-35.32
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CC1(C)COCCC1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020159266	0	43	-1.0	-42.93	333.08	4.42	-38.51
CC1(C)COCCC1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020159266	1	43	-1.0	-42.88	333.02	4.40	-38.48
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COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020159273	1	44	-1.0	-45.42	385.11	7.50	-37.92
CC1(C)CCCOC1CC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020159274	0	46	-1.0	-42.26	356.93	5.89	-36.37
CC1(C)CCCOC1CC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020159274	1	46	-1.0	-42.26	356.87	5.87	-36.39
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CC(=O)NC(COC(C)C)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020159277	0	46	-1.0	-46.85	381.04	3.48	-43.37
CC(=O)NC(COC(C)C)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020159277	1	46	-1.0	-46.79	380.98	3.45	-43.34
CC1(C)OCC(CCC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)O1	REAL300020159278	0	44	-1.0	-41.75	364.93	4.37	-37.38
CC1(C)OCC(CCC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)O1	REAL300020159278	1	44	-1.0	-41.77	364.99	4.40	-37.37
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CCCCOC1=CC=C(C=CC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020159279	1	50	-1.0	-52.97	417.39	8.56	-44.41
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COC1=CC2=CC=C(CC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=C2C=C1	REAL300020159280	1	46	-1.0	-51.13	388.65	7.76	-43.37
CC(C)CC(CC1=CC=CC=C1)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020159281	0	51	-1.0	-41.88	404.78	9.76	-32.12
CC(C)CC(CC1=CC=CC=C1)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020159281	1	51	-1.0	-41.88	404.72	9.74	-32.14
COC1=NC=C(Cl)C(C)=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020159282	0	39	-1.0	-42.42	352.83	3.18	-39.24
COC1=NC=C(Cl)C(C)=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020159282	1	39	-1.0	-42.38	352.77	3.15	-39.23
COC1=CC=C(OC)C([N+](=O)[O-])=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020159283	0	43	-1.0	-61.18	380.73	4.88	-56.30
COC1=CC=C(OC)C([N+](=O)[O-])=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020159283	1	43	-1.0	-61.15	380.67	4.85	-56.30
CC12CCC(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)(CC1)OC2	REAL300020159284	0	44	-1.0	-40.19	347.22	5.07	-35.12
CC12CCC(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)(CC1)OC2	REAL300020159284	1	44	-1.0	-40.19	347.17	5.04	-35.15
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C2C=COC2=C1	REAL300020159285	0	36	-1.0	-43.59	315.78	5.90	-37.69
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O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)[C@@H]1C[C@H]1C1=CC=NC=C1Cl	REAL300020159287	1	39	-1.0	-49.53	350.66	6.20	-43.33
C#CC1=CC=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020159288	0	35	-1.0	-43.16	315.87	6.75	-36.41
C#CC1=CC=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020159288	1	35	-1.0	-43.15	315.81	6.72	-36.43
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COC(=O)C1=CC=C(C=CC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=N1	REAL300020159290	0	42	-1.0	-45.23	373.45	5.61	-39.62
COC(=O)C1=CC=C(C=CC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=N1	REAL300020159290	1	42	-1.0	-45.20	373.39	5.59	-39.61
CC1=C(C)NC(=O)C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020159291	0	39	-1.0	-52.02	330.08	3.91	-48.11
CC1=C(C)NC(=O)C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020159291	1	39	-1.0	-52.07	330.02	3.89	-48.18
CCN1N=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1C	REAL300020159292	0	39	-1.0	-44.92	336.21	4.73	-40.19
CCN1N=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1C	REAL300020159292	1	39	-1.0	-44.95	336.15	4.71	-40.24
CC1=CC(C(F)(F)F)=CC=C1CC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020159293	0	42	-1.0	-42.12	368.69	7.70	-34.42
CC1=CC(C(F)(F)F)=CC=C1CC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020159293	1	42	-1.0	-42.14	368.74	7.72	-34.42
CC(CC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C(F)C(F)=C1	REAL300020159294	0	42	-1.0	-43.98	360.50	7.61	-36.37
CC(CC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C(F)C(F)=C1	REAL300020159294	1	42	-1.0	-44.00	360.44	7.58	-36.42
CCCN1C=CC=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020159295	0	40	-1.0	-55.97	331.85	7.14	-48.83
CCCN1C=CC=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020159295	1	40	-1.0	-55.98	331.80	7.12	-48.86
CC(C)(C)N1C=C(CC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=N1	REAL300020159296	0	45	-1.0	-45.33	376.00	6.04	-39.29
CC(C)(C)N1C=C(CC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=N1	REAL300020159296	1	45	-1.0	-45.30	375.94	6.02	-39.28
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC(C2=NNC=C2)=CC=C1F	REAL300020159297	0	40	-1.0	-48.69	351.69	5.69	-43.00
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC(C2=NNC=C2)=CC=C1F	REAL300020159297	1	40	-1.0	-48.71	351.63	5.67	-43.04
CC1=CC=C(C2(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)CC2)C(F)=C1	REAL300020159298	0	43	-1.0	-43.62	367.90	8.17	-35.45
CC1=CC=C(C2(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)CC2)C(F)=C1	REAL300020159298	1	43	-1.0	-43.66	367.84	8.14	-35.52
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC(Cl)=C(F)C=C1[O-]	REAL300020159299	0	33	-2.0	-109.68	316.44	5.58	-104.10
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC(Cl)=C(F)C=C1[O-]	REAL300020159299	1	33	-2.0	-109.70	316.39	5.55	-104.15
CCCC1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)N=NN1CC	REAL300020159300	0	44	-1.0	-45.36	370.75	4.77	-40.59
CCCC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)N=NN1CC	REAL300020159300	1	44	-1.0	-45.31	370.70	4.75	-40.56
CCC1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)SC(C2=NNC=N2)=N1	REAL300020159301	0	41	-1.0	-56.22	370.96	4.90	-51.32
CCC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)SC(C2=NNC=N2)=N1	REAL300020159301	1	41	-1.0	-56.19	370.91	4.88	-51.31
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=C2N=CNC2=CC(Br)=C1	REAL300020159302	0	36	-1.0	-41.77	333.59	5.96	-35.81
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=C2N=CNC2=CC(Br)=C1	REAL300020159302	1	36	-1.0	-41.74	333.53	5.94	-35.80
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=C2NC=NC2=CC(Br)=C1	REAL300020159302	1	36	-1.0	-41.77	333.59	5.96	-35.81
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CC1=C2CC(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)CCC2=NN1	REAL300020159305	1	43	-1.0	-43.04	352.62	4.86	-38.18
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C[C@@H]1CC2=C(NN=C2C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)[C@H](C)O1	REAL300020159316	0	44	-1.0	-43.58	366.42	3.52	-40.06
C[C@@H]1CC2=C(NN=C2C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)[C@H](C)O1	REAL300020159316	1	44	-1.0	-43.57	366.36	3.49	-40.08
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CC1(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CC(C2CC2)=NO1	REAL300020159335	0	41	-1.0	-44.69	348.96	5.13	-39.56
CC1(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CC(C2CC2)=NO1	REAL300020159335	1	41	-1.0	-44.69	348.90	5.10	-39.59
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CC(C)(C)OC(=O)NCC1=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=NO1	REAL300020159336	1	49	-1.0	-42.85	415.76	3.45	-39.40
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CC(C)(C)C1=NN(C(C)(C)C)C=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020159341	1	54	-1.0	-53.15	422.52	7.69	-45.46
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CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020159347	0	53	-1.0	-51.34	419.93	4.79	-46.55
CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020159347	1	53	-1.0	-51.34	419.99	4.81	-46.53
CC(C)[C@@H]1CCC[C@H]1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020159348	0	45	-1.0	-42.27	350.19	6.81	-35.46
CC(C)[C@@H]1CCC[C@H]1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020159348	1	45	-1.0	-42.26	350.14	6.79	-35.47
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COC1=CC=C(C=CC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(OC)=C1OC	REAL300020159350	1	49	-1.0	-58.83	417.06	6.05	-52.78
CC(C)(C)OC(=O)N1C=COCC1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020159351	0	49	-1.0	-51.09	395.79	5.31	-45.78
CC(C)(C)OC(=O)N1C=COCC1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020159351	1	49	-1.0	-51.15	395.85	5.34	-45.81
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CC=CC1=CC=C(OCC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(OC)=C1	REAL300020159353	0	48	-1.0	-61.81	404.10	7.75	-54.06
CC=CC1=CC=C(OCC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(OC)=C1	REAL300020159353	1	48	-1.0	-61.79	404.16	7.78	-54.01
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1CC(=O)CC12CCC2	REAL300020159354	0	42	-1.0	-57.23	343.35	5.94	-51.29
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1CC(=O)CC12CCC2	REAL300020159354	1	42	-1.0	-57.20	343.29	5.91	-51.29
CC1=CNC2=NC=C(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=C12	REAL300020159355	0	39	-1.0	-44.47	336.91	5.51	-38.96
CC1=CNC2=NC=C(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=C12	REAL300020159355	1	39	-1.0	-44.46	336.85	5.48	-38.98
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC2=C(CCOC2)N=C1Cl	REAL300020159356	0	40	-1.0	-42.96	350.27	4.26	-38.70
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC2=C(CCOC2)N=C1Cl	REAL300020159356	1	40	-1.0	-42.96	350.21	4.23	-38.73
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1CCC(OC2=CC=CC=C2)CC1	REAL300020159357	0	50	-1.0	-44.97	393.91	8.02	-36.95
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1CCC(OC2=CC=CC=C2)CC1	REAL300020159357	1	50	-1.0	-45.00	393.96	8.05	-36.95
CC1=NN=C(CC2=CC=C(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=C2)O1	REAL300020159358	0	44	-1.0	-57.86	383.52	2.93	-54.93
CC1=NN=C(CC2=CC=C(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=C2)O1	REAL300020159358	1	44	-1.0	-57.85	383.46	2.91	-54.94
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1CC2=CC=CN=C2C1	REAL300020159359	0	39	-1.0	-45.57	330.12	5.53	-40.04
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1CC2=CC=CN=C2C1	REAL300020159359	1	39	-1.0	-45.60	330.06	5.51	-40.09
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CC1=CC2=CC(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=CN=C2C(F)=C1	REAL300020159362	0	41	-1.0	-44.10	357.51	6.67	-37.43
CC1=CC2=CC(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=CN=C2C(F)=C1	REAL300020159362	1	41	-1.0	-44.10	357.45	6.64	-37.46
CN1C=C(C2=NC(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=CO2)C=N1	REAL300020159363	0	39	-1.0	-52.08	352.56	1.72	-50.36
CN1C=C(C2=NC(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=CO2)C=N1	REAL300020159363	1	39	-1.0	-52.11	352.51	1.70	-50.41
COC1=C2C=C(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)NC2=C(C)C=C1	REAL300020159364	0	44	-1.0	-55.85	373.06	5.44	-50.41
COC1=C2C=C(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)NC2=C(C)C=C1	REAL300020159364	1	44	-1.0	-55.87	373.00	5.42	-50.45
CCCCOC1=CC=C(CC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1	REAL300020159365	0	49	-1.0	-42.93	407.53	8.02	-34.91
CCCCOC1=CC=C(CC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1	REAL300020159365	1	49	-1.0	-42.95	407.59	8.04	-34.91
COC1=NC2=CC=C(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=C2C=C1	REAL300020159366	0	42	-1.0	-52.41	361.84	4.44	-47.97
COC1=NC2=CC=C(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=C2C=C1	REAL300020159366	1	42	-1.0	-52.41	361.78	4.42	-47.99
CC1=CN2C(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=CN=C2S1	REAL300020159367	0	36	-1.0	-54.56	325.48	5.95	-48.61
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=NOC(COC2=CC=C(F)C=C2)=C1	REAL300020159368	0	43	-1.0	-50.58	385.47	6.30	-44.28
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=NOC(COC2=CC=C(F)C=C2)=C1	REAL300020159368	1	43	-1.0	-50.60	385.53	6.33	-44.27
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC(Cl)=C(Cl)S1	REAL300020159369	0	30	-1.0	-48.45	313.78	5.66	-42.79
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC(Cl)=C(Cl)S1	REAL300020159369	1	30	-1.0	-48.45	313.72	5.64	-42.81
CC(C)(C)C1=CC=NC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020159370	0	44	-1.0	-51.96	362.62	6.18	-45.78
CC(C)(C)C1=CC=NC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020159370	1	44	-1.0	-51.96	362.56	6.16	-45.80
CC(C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1CCOC1	REAL300020159371	0	40	-1.0	-41.84	324.53	3.90	-37.94
CC(C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1CCOC1	REAL300020159371	1	40	-1.0	-41.83	324.47	3.87	-37.96
COC1CC2(C1)CCC(C(=O)NC1=CC=CC(CC3=N[N-]N=N3)=C1)CC2	REAL300020159372	0	50	-1.0	-41.31	391.40	6.38	-34.93
COC1CC2(C1)CCC(C(=O)NC1=CC=CC(CC3=NN=N[N-]3)=C1)CC2	REAL300020159372	1	50	-1.0	-41.30	391.45	6.40	-34.90
CCCC(CCC1=CC=CC=C1)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020159373	0	51	-1.0	-41.29	411.46	9.84	-31.45
CCCC(CCC1=CC=CC=C1)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020159373	1	51	-1.0	-41.26	411.40	9.82	-31.44
CCC(C)(C)C1CCC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CC1	REAL300020159374	0	54	-1.0	-39.63	397.13	8.25	-31.38
CCC(C)(C)C1CCC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CC1	REAL300020159374	1	54	-1.0	-39.55	397.19	8.27	-31.28
CC1=CC2=CC(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=CN=C2C=C1	REAL300020159375	0	41	-1.0	-42.62	351.29	6.58	-36.04
CC1=CC2=CC(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=CN=C2C=C1	REAL300020159375	1	41	-1.0	-42.57	351.23	6.56	-36.01
CN1C=C(C2=CC(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=NO2)N=N1	REAL300020159376	0	38	-1.0	-57.25	346.17	3.16	-54.09
CN1C=C(C2=CC(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=NO2)N=N1	REAL300020159376	1	38	-1.0	-57.28	346.11	3.13	-54.15
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1COC2COCC21	REAL300020159377	0	39	-1.0	-48.33	315.08	2.05	-46.28
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1COC2COCC21	REAL300020159377	1	39	-1.0	-48.28	315.02	2.03	-46.25
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1CCC2(CC(=O)C2)CC1	REAL300020159378	0	45	-1.0	-44.15	361.46	6.53	-37.62
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1CCC2(CC(=O)C2)CC1	REAL300020159378	1	45	-1.0	-44.14	361.52	6.55	-37.59
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C2OCCC(=O)C2=C1	REAL300020159379	0	40	-1.0	-46.91	344.57	5.31	-41.60
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C2OCCC(=O)C2=C1	REAL300020159379	1	40	-1.0	-46.91	344.51	5.28	-41.63
CCC(CCC1=CC=CC=C1)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020159380	0	48	-1.0	-48.32	389.79	9.09	-39.23
CCC(CCC1=CC=CC=C1)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020159380	1	48	-1.0	-48.33	389.73	9.06	-39.27
COC1(C(F)(F)C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CCCC1	REAL300020159381	0	43	-1.0	-38.83	347.54	5.82	-33.01
COC1(C(F)(F)C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CCCC1	REAL300020159381	1	43	-1.0	-38.86	347.60	5.84	-33.02
O=C(CCC1=CC=C2CCOCC2=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020159382	0	47	-1.0	-51.88	388.29	7.11	-44.77
O=C(CCC1=CC=C2CCOCC2=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020159382	1	47	-1.0	-51.87	388.35	7.13	-44.74
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1CC12CCC(F)(F)CC2	REAL300020159383	0	43	-1.0	-43.29	355.17	7.13	-36.16
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1CC12CCC(F)(F)CC2	REAL300020159383	1	43	-1.0	-43.27	355.23	7.16	-36.11
CC1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)N=C1Br	REAL300020159384	0	35	-1.0	-48.73	325.52	4.91	-43.82
CC1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)N=C1Br	REAL300020159384	1	35	-1.0	-48.75	325.46	4.89	-43.86
CN(C)C1=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC=C1[N+](=O)[O-]	REAL300020159385	0	43	-1.0	-41.70	369.02	6.81	-34.89
CN(C)C1=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC=C1[N+](=O)[O-]	REAL300020159385	1	43	-1.0	-41.71	368.96	6.78	-34.93
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC(Cl)=NC2=NC=CC=C12	REAL300020159386	0	37	-1.0	-50.52	336.67	5.42	-45.10
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC(Cl)=NC2=NC=CC=C12	REAL300020159386	1	37	-1.0	-50.55	336.61	5.40	-45.15
CC1CCOC1CC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020159387	0	40	-1.0	-56.06	323.68	4.58	-51.48
CC1CCOC1CC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020159387	1	40	-1.0	-56.09	323.62	4.56	-51.53
COC(=O)C1=CSC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020159388	0	36	-1.0	-44.58	336.68	5.22	-39.36
COC(=O)C1=CSC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020159388	1	36	-1.0	-44.55	336.63	5.19	-39.36
CC(C)(C)C1=CN=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020159389	0	44	-1.0	-40.75	360.11	6.06	-34.69
CC(C)(C)C1=CN=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020159389	1	44	-1.0	-40.73	360.05	6.04	-34.69
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C(OC2=CC=C(F)C=C2)S1	REAL300020159390	0	41	-1.0	-50.37	375.83	7.63	-42.74
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C(OC2=CC=C(F)C=C2)S1	REAL300020159390	1	41	-1.0	-50.42	375.89	7.65	-42.77
N#CC1=CC=C(C2=C(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)N=CO2)C=C1	REAL300020159391	0	40	-1.0	-46.25	363.84	4.38	-41.87
N#CC1=CC=C(C2=C(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)N=CO2)C=C1	REAL300020159391	1	40	-1.0	-46.22	363.78	4.35	-41.87
COC1CC(CC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C1(C)C	REAL300020159392	0	46	-1.0	-45.96	369.27	5.45	-40.51
COC1CC(CC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C1(C)C	REAL300020159392	1	46	-1.0	-45.92	369.22	5.43	-40.49
CC1(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CC2=CC(Cl)=CC=C2C(=O)O1	REAL300020159393	0	43	-1.0	-45.46	380.11	7.49	-37.97
CC1(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CC2=CC(Cl)=CC=C2C(=O)O1	REAL300020159393	1	43	-1.0	-45.48	380.16	7.52	-37.96
CC(C)(C)C1=CC=NC2=C(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=NN21	REAL300020159394	0	47	-1.0	-62.58	386.79	6.97	-55.61
CC(C)(C)C1=CC=NC2=C(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=NN21	REAL300020159394	1	47	-1.0	-62.60	386.73	6.94	-55.66
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C12CCCN1C(=O)CCCC2	REAL300020159395	0	47	-1.0	-44.64	360.44	5.95	-38.69
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C12CCCN1C(=O)CCCC2	REAL300020159395	1	47	-1.0	-44.59	360.38	5.92	-38.67
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1(C2=CC=CC=C2)CC1C(F)(F)F	REAL300020159396	0	43	-1.0	-44.22	373.21	8.21	-36.01
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1(C2=CC=CC=C2)CC1C(F)(F)F	REAL300020159396	1	43	-1.0	-44.21	373.15	8.18	-36.03
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1CCC2(CC2(F)F)C1	REAL300020159397	0	40	-1.0	-43.14	341.93	6.63	-36.51
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1CCC2(CC2(F)F)C1	REAL300020159397	1	40	-1.0	-43.17	341.87	6.61	-36.56
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1CCCC2C1C2(F)F	REAL300020159398	0	40	-1.0	-48.80	330.96	6.46	-42.34
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1CCCC2C1C2(F)F	REAL300020159398	1	40	-1.0	-48.83	330.90	6.43	-42.40
C=C1CC2(C1)CC(C(=O)NC1=CC=CC(CC3=NN=N[N-]3)=C1)C2	REAL300020159399	0	41	-1.0	-40.09	342.33	6.92	-33.17
C=C1CC2(C1)CC(C(=O)NC1=CC=CC(CC3=N[N-]N=N3)=C1)C2	REAL300020159399	1	41	-1.0	-40.03	342.28	6.90	-33.13
C[C@H]1C2=CC=CC=C2O[C@H]1CC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020159400	0	44	-1.0	-44.70	364.01	6.82	-37.88
C[C@H]1C2=CC=CC=C2O[C@H]1CC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020159400	1	44	-1.0	-44.69	363.96	6.79	-37.90
CC(C)(C)[C@@H]1CCCC[C@@H]1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020159401	0	51	-1.0	-42.45	368.12	7.57	-34.88
CC(C)(C)[C@@H]1CCCC[C@@H]1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020159401	1	51	-1.0	-42.45	368.06	7.55	-34.90
CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C[C@@H]12	REAL300020159402	0	51	-1.0	-48.06	418.14	5.00	-43.06
CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C[C@@H]12	REAL300020159402	1	51	-1.0	-48.10	418.19	5.03	-43.07
CC1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(C(F)F)=NN1C	REAL300020159403	0	39	-1.0	-57.36	347.91	4.46	-52.90
CC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(C(F)F)=NN1C	REAL300020159403	1	39	-1.0	-57.37	347.85	4.43	-52.94
COC(=O)[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020159404	0	44	-1.0	-59.60	362.71	4.79	-54.81
COC(=O)[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020159404	1	44	-1.0	-59.57	362.77	4.82	-54.75
CCC1=CC=C(C(=O)C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)S1	REAL300020159405	0	38	-1.0	-45.76	344.09	6.03	-39.73
CCC1=CC=C(C(=O)C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)S1	REAL300020159405	1	38	-1.0	-45.75	344.04	6.01	-39.74
CN1C=C(NC(=O)OC(C)(C)C)C=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020159406	0	51	-1.0	-54.02	413.53	5.39	-48.63
CN1C=C(NC(=O)OC(C)(C)C)C=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020159406	1	51	-1.0	-54.01	413.47	5.36	-48.65
CC(C)(C)OC(=O)N1CC2(CCC2)C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020159407	0	54	-1.0	-57.41	434.37	7.00	-50.41
CC(C)(C)OC(=O)N1CC2(CCC2)C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020159407	1	54	-1.0	-57.44	434.42	7.03	-50.41
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=NNC(C2CCCC2)=C1	REAL300020159408	0	43	-1.0	-50.93	357.00	5.23	-45.70
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=NNC(C2CCCC2)=C1	REAL300020159408	1	43	-1.0	-50.97	356.94	5.20	-45.77
CC1(C)OC2=CC(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=CC=C2NC1=O	REAL300020159409	0	45	-1.0	-43.57	378.94	4.12	-39.45
CC1(C)OC2=CC(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=CC=C2NC1=O	REAL300020159409	1	45	-1.0	-43.56	378.89	4.10	-39.46
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=CC2=C1CCC(=O)N2	REAL300020159410	0	41	-1.0	-54.98	342.66	4.72	-50.26
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=CC2=C1CCC(=O)N2	REAL300020159410	1	41	-1.0	-54.98	342.61	4.70	-50.28
CN1N=CC2=NC(C(F)F)=C(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=C21	REAL300020159411	0	41	-1.0	-47.98	361.71	4.46	-43.52
CN1N=CC2=NC(C(F)F)=C(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=C21	REAL300020159411	1	41	-1.0	-47.96	361.66	4.43	-43.53
COC(=O)C1=CC=CC2=C(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=CC=C12	REAL300020159412	0	45	-1.0	-42.88	379.20	8.31	-34.57
COC(=O)C1=CC=CC2=C(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=CC=C12	REAL300020159412	1	45	-1.0	-42.86	379.14	8.29	-34.57
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CN=CC2=C1CCNC2=O	REAL300020159413	0	40	-1.0	-48.87	337.96	2.22	-46.65
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CN=CC2=C1CCNC2=O	REAL300020159413	1	40	-1.0	-48.81	337.91	2.19	-46.62
CC1=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=NC=C1C(F)F	REAL300020159414	0	38	-1.0	-52.02	335.82	5.25	-46.77
CC1=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=NC=C1C(F)F	REAL300020159414	1	38	-1.0	-51.98	335.76	5.23	-46.75
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC2=C(CCCNC2=O)S1	REAL300020159415	0	41	-1.0	-61.87	358.16	3.84	-58.03
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC2=C(CCCNC2=O)S1	REAL300020159415	1	41	-1.0	-61.90	358.10	3.81	-58.09
CN(C)C(=O)C1=CN=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020159416	0	42	-1.0	-62.07	354.38	3.50	-58.57
CN(C)C(=O)C1=CN=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020159416	1	42	-1.0	-62.08	354.33	3.48	-58.60
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1CCC2C1C2(F)F	REAL300020159417	0	37	-1.0	-41.17	318.50	5.96	-35.21
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1CCC2C1C2(F)F	REAL300020159417	1	37	-1.0	-41.15	318.44	5.94	-35.21
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=NC2=C(Cl)N=CC=C2C=C1	REAL300020159418	0	37	-1.0	-50.93	343.23	4.76	-46.17
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=NC2=C(Cl)N=CC=C2C=C1	REAL300020159418	1	37	-1.0	-50.95	343.17	4.73	-46.22
CCOCC(NC(=O)OC(C)(C)C)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020159419	0	53	-1.0	-41.94	431.90	3.31	-38.63
CCOCC(NC(=O)OC(C)(C)C)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020159419	1	53	-1.0	-41.90	431.95	3.34	-38.56
CC(C)(C)OC(=O)NC1CC(C)(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C1	REAL300020159420	0	53	-1.0	-42.45	423.31	4.79	-37.66
CC(C)(C)OC(=O)NC1CC(C)(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C1	REAL300020159420	1	53	-1.0	-42.47	423.37	4.82	-37.65
CC(C)(C)OC(=O)NC1CC2(C[C@@H]2C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C1	REAL300020159421	0	54	-1.0	-53.35	434.93	5.70	-47.65
CC(C)(C)OC(=O)NC1CC2(C[C@@H]2C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C1	REAL300020159421	1	54	-1.0	-53.38	434.99	5.73	-47.65
COC1=CC=CC=C1OC(C)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020159422	0	44	-1.0	-47.33	369.12	6.37	-40.96
COC1=CC=CC=C1OC(C)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020159422	1	44	-1.0	-47.32	369.07	6.35	-40.97
CC1=C(Cl)C=NN1CC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020159423	0	36	-1.0	-45.17	331.55	4.62	-40.55
CC1=C(Cl)C=NN1CC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020159423	1	36	-1.0	-45.19	331.50	4.60	-40.59
C[C@@H](ONC(=O)OC(C)(C)C)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020159424	0	47	-1.0	-64.53	392.94	4.33	-60.20
C[C@@H](ONC(=O)OC(C)(C)C)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020159424	1	47	-1.0	-64.55	393.00	4.36	-60.19
CCC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)N2C=C(C)SC2=N1	REAL300020159425	0	42	-1.0	-53.88	364.77	7.29	-46.59
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1CCC(C2CCCO2)O1	REAL300020159426	0	45	-1.0	-45.22	364.86	5.22	-40.00
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1CCC(C2CCCO2)O1	REAL300020159426	1	45	-1.0	-45.23	364.92	5.24	-39.99
CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020159427	0	54	-1.0	-62.59	423.92	6.89	-55.70
CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020159427	1	54	-1.0	-62.59	423.98	6.91	-55.68
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=C(F)C(C(F)(F)F)=C1Cl	REAL300020159428	0	36	-1.0	-45.72	339.91	6.94	-38.78
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=C(F)C(C(F)(F)F)=C1Cl	REAL300020159428	1	36	-1.0	-45.73	339.97	6.97	-38.76
CC1=CC(F)=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1[N+](=O)[O-]	REAL300020159429	0	38	-1.0	-52.20	337.38	6.82	-45.38
CC1=CC(F)=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1[N+](=O)[O-]	REAL300020159429	1	38	-1.0	-52.18	337.32	6.79	-45.39
CN1N=NC2=C(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=CC=C21	REAL300020159430	0	38	-1.0	-73.04	331.40	4.19	-68.85
CN1N=NC2=C(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=CC=C21	REAL300020159430	1	38	-1.0	-73.06	331.34	4.17	-68.89
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CN=C2OCCCC2=C1	REAL300020159431	0	40	-1.0	-43.66	337.37	3.08	-40.58
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CN=C2OCCCC2=C1	REAL300020159431	1	40	-1.0	-43.64	337.31	3.06	-40.58
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC(C2=CC=NC=C2)=NO1	REAL300020159432	0	38	-1.0	-47.36	342.50	4.81	-42.55
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC(C2=CC=NC=C2)=NO1	REAL300020159432	1	38	-1.0	-47.36	342.45	4.78	-42.58
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C(F)(F)CCC1=CC=CC=C1	REAL300020159433	0	42	-1.0	-39.85	366.14	7.94	-31.91
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C(F)(F)CCC1=CC=CC=C1	REAL300020159433	1	42	-1.0	-39.83	366.20	7.97	-31.86
CC1=CC2=C(C=C(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)S2)S1	REAL300020159434	0	36	-1.0	-51.61	339.74	6.87	-44.74
CC1=CC2=C(C=C(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)S2)S1	REAL300020159434	1	36	-1.0	-51.59	339.68	6.84	-44.75
O=C(CC12CCC(CC1)C2)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020159435	0	43	-1.0	-40.57	336.67	6.82	-33.75
O=C(CC12CCC(CC1)C2)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020159435	1	43	-1.0	-40.53	336.62	6.80	-33.73
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1CC=CC2=CC=CC=C21	REAL300020159436	0	41	-1.0	-42.39	344.45	7.78	-34.61
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1CC=CC2=CC=CC=C21	REAL300020159436	1	41	-1.0	-42.40	344.39	7.75	-34.65
NS(=O)(=O)CC1=CC=CC=C1CC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020159437	0	44	-1.0	-47.90	383.16	1.78	-46.12
NS(=O)(=O)CC1=CC=CC=C1CC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020159437	1	44	-1.0	-47.90	383.22	1.80	-46.10
CCCOCCCC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020159438	0	42	-1.0	-42.65	351.74	4.86	-37.79
CCCOCCCC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020159438	1	42	-1.0	-42.64	351.69	4.83	-37.81
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CN2C=NN=C2C=N1	REAL300020159439	0	34	-1.0	-49.46	306.72	5.12	-44.34
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CN2C=NN=C2C=N1	REAL300020159439	1	34	-1.0	-49.45	306.67	5.10	-44.35
CN1N=CC(C#N)=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020159440	0	34	-1.0	-52.72	306.97	3.68	-49.04
CN1N=CC(C#N)=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020159440	1	34	-1.0	-52.69	306.91	3.65	-49.04
CON(CCC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)C(=O)OC(C)(C)C	REAL300020159441	0	50	-1.0	-43.22	412.11	5.60	-37.62
CON(CCC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)C(=O)OC(C)(C)C	REAL300020159441	1	50	-1.0	-43.25	412.16	5.62	-37.63
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC2=NNN=C2C(Br)=C1	REAL300020159442	0	35	-1.0	-41.19	329.45	3.44	-37.75
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC2=NNN=C2C(Br)=C1	REAL300020159442	1	35	-1.0	-41.21	329.40	3.41	-37.80
CC(C)(C)OC(=O)NC1=NOC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020159443	0	46	-1.0	-50.23	389.02	4.14	-46.09
CC(C)(C)OC(=O)NC1=NOC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020159443	1	46	-1.0	-50.25	389.07	4.16	-46.09
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=CC2=NC=CC=C12	REAL300020159444	0	38	-1.0	-42.87	324.20	5.92	-36.95
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=CC2=NC=CC=C12	REAL300020159444	1	38	-1.0	-42.88	324.14	5.90	-36.98
COC(=O)C1=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C(F)C=N1	REAL300020159445	0	38	-1.0	-52.09	344.16	4.49	-47.60
COC(=O)C1=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C(F)C=N1	REAL300020159445	1	38	-1.0	-52.07	344.10	4.47	-47.60
CC1=CC2=C(OCC2)C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020159446	0	41	-1.0	-59.75	344.96	6.94	-52.81
CC1=CC2=C(OCC2)C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020159446	1	41	-1.0	-59.78	344.90	6.92	-52.86
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=C2SC=CC2=CN=C1	REAL300020159447	0	35	-1.0	-54.76	318.33	5.16	-49.60
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=C2SC=CC2=CN=C1	REAL300020159447	1	35	-1.0	-54.76	318.27	5.14	-49.62
CC(C)C(C)C(C)CC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020159448	0	47	-1.0	-42.24	357.86	6.76	-35.48
CC(C)C(C)C(C)CC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020159448	1	47	-1.0	-42.22	357.81	6.73	-35.49
COC1CC2(C1)CC(C(=O)NC1=CC=CC(CC3=NN=N[N-]3)=C1)C2	REAL300020159449	0	44	-1.0	-40.90	362.24	5.36	-35.54
COC1CC2(C1)CC(C(=O)NC1=CC=CC(CC3=N[N-]N=N3)=C1)C2	REAL300020159449	1	44	-1.0	-40.91	362.18	5.34	-35.57
CC(C)OCC1=CC=CC=C1CC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020159450	0	49	-1.0	-42.73	404.65	7.72	-35.01
CC(C)OCC1=CC=CC=C1CC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020159450	1	49	-1.0	-42.71	404.59	7.70	-35.01
CC1(C)CCC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CO1	REAL300020159451	0	43	-1.0	-39.94	339.97	4.57	-35.37
CC1(C)CCC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CO1	REAL300020159451	1	43	-1.0	-39.91	339.91	4.55	-35.36
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)[C@@H]1C[C@H]1C1=C(Cl)C=CC=C1Cl	REAL300020159452	0	40	-1.0	-41.71	369.77	8.35	-33.36
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)[C@@H]1C[C@H]1C1=C(Cl)C=CC=C1Cl	REAL300020159452	1	40	-1.0	-41.73	369.82	8.37	-33.36
O=C(CC1CCCNC(=O)C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020159453	0	43	-1.0	-55.48	345.18	3.09	-52.39
O=C(CC1CCCNC(=O)C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020159453	1	43	-1.0	-55.50	345.12	3.06	-52.44
CC1(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CC1C(F)(F)F	REAL300020159454	0	36	-1.0	-39.49	314.21	5.49	-34.00
CC1(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CC1C(F)(F)F	REAL300020159454	1	36	-1.0	-39.47	314.15	5.47	-34.00
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1CCCCC12CCC2	REAL300020159455	0	46	-1.0	-42.09	350.08	7.53	-34.56
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CC(C)(C)C1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(Cl)=N1	REAL300020159611	1	44	-1.0	-57.10	375.43	6.79	-50.31
CN1C(=O)NC2(CCC(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)CC2)C1=O	REAL300020159612	0	48	-1.0	-48.72	385.98	3.20	-45.52
CN1C(=O)NC2(CCC(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)CC2)C1=O	REAL300020159612	1	48	-1.0	-48.71	386.04	3.23	-45.48
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=CC(C2=NNC=C2)=C1	REAL300020159613	0	40	-1.0	-64.84	347.51	5.60	-59.24
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=CC(C2=NNC=C2)=C1	REAL300020159613	1	40	-1.0	-64.81	347.45	5.57	-59.24
CC1=C2NN=C(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C2=CC=C1	REAL300020159614	0	39	-1.0	-53.84	338.91	4.87	-48.97
CC1=C2NN=C(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C2=CC=C1	REAL300020159614	1	39	-1.0	-53.81	338.85	4.85	-48.96
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1CCC2(CCOCC2)O1	REAL300020159615	0	45	-1.0	-46.61	361.40	4.60	-42.01
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1CCC2(CCOCC2)O1	REAL300020159615	1	45	-1.0	-46.60	361.45	4.62	-41.98
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1CCC2(CCC2)O1	REAL300020159616	0	41	-1.0	-46.16	337.13	5.76	-40.40
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1CCC2(CCC2)O1	REAL300020159616	1	41	-1.0	-46.17	337.07	5.73	-40.44
CC1=CC=CC=C1C1=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=NO1	REAL300020159617	0	42	-1.0	-48.65	367.43	7.22	-41.43
CC1=CC=CC=C1C1=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=NO1	REAL300020159617	1	42	-1.0	-48.65	367.38	7.19	-41.46
CC(F)(F)C1=CC=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020159618	0	38	-1.0	-48.27	339.97	5.61	-42.66
CC(F)(F)C1=CC=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020159618	1	38	-1.0	-48.27	339.91	5.58	-42.69
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=CC2=C1COC2	REAL300020159619	0	38	-1.0	-45.81	321.83	4.88	-40.93
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=CC2=C1COC2	REAL300020159619	1	38	-1.0	-45.82	321.78	4.85	-40.97
CC1CCCC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CC1	REAL300020159620	0	45	-1.0	-41.57	344.62	6.84	-34.73
CC1CCCC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CC1	REAL300020159620	1	45	-1.0	-41.54	344.56	6.82	-34.72
CC(C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=CC=C1Cl	REAL300020159621	0	39	-1.0	-40.54	343.11	7.20	-33.34
CC(C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=CC=C1Cl	REAL300020159621	1	39	-1.0	-40.55	343.05	7.17	-33.38
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=CC(CC2=CC=CC=N2)=C1	REAL300020159622	0	45	-1.0	-43.70	385.79	8.22	-35.48
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=CC(CC2=CC=CC=N2)=C1	REAL300020159622	1	45	-1.0	-43.70	385.73	8.19	-35.51
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=COC2=C(F)C=C(Cl)C=C12	REAL300020159623	0	36	-1.0	-55.28	340.45	6.49	-48.79
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=COC2=C(F)C=C(Cl)C=C12	REAL300020159623	1	36	-1.0	-55.27	340.39	6.46	-48.81
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=NC2=NC=CN2C=C1	REAL300020159624	0	35	-1.0	-53.14	312.39	6.75	-46.39
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=NC2=NC=CN2C=C1	REAL300020159624	1	35	-1.0	-53.12	312.33	6.73	-46.39
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1CCC2(CC1)NC(=O)NC2=O	REAL300020159625	0	45	-1.0	-45.08	369.21	1.17	-43.91
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1CCC2(CC1)NC(=O)NC2=O	REAL300020159625	1	45	-1.0	-45.13	369.27	1.19	-43.94
CCCN1C=C(Cl)C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020159626	0	39	-1.0	-54.29	352.14	5.48	-48.81
CCCN1C=C(Cl)C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020159626	1	39	-1.0	-54.28	352.08	5.46	-48.82
CC1=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C(Cl)N=C1C	REAL300020159627	0	38	-1.0	-43.14	334.89	5.38	-37.76
CC1=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C(Cl)N=C1C	REAL300020159627	1	38	-1.0	-43.13	334.84	5.36	-37.77
COC(=O)C1CCC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C1	REAL300020159628	0	42	-1.0	-43.49	349.94	5.74	-37.75
COC(=O)C1CCC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C1	REAL300020159628	1	42	-1.0	-43.52	349.88	5.72	-37.80
COC(=O)C1=NNC2=CC=C(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=C21	REAL300020159629	0	42	-1.0	-48.56	370.31	4.90	-43.66
COC(=O)C1=NNC2=CC=C(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=C21	REAL300020159629	1	42	-1.0	-48.56	370.25	4.88	-43.68
CC(C)(C)C1CCNC2=C(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=NN21	REAL300020159630	0	51	-1.0	-52.85	398.08	5.92	-46.93
CC(C)(C)C1CCNC2=C(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=NN21	REAL300020159630	1	51	-1.0	-52.83	398.02	5.90	-46.93
CNC1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)SC2=NC=CN=C21	REAL300020159631	0	39	-1.0	-54.52	350.18	2.33	-52.19
CNC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)SC2=NC=CN=C21	REAL300020159631	1	39	-1.0	-54.53	350.12	2.31	-52.22
CC1=NN=C2SC(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)=C(N)C2=C1C	REAL300020159632	0	42	-1.0	-49.84	360.47	3.51	-46.33
CC1=NN=C2SC(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)=C(N)C2=C1C	REAL300020159632	1	42	-1.0	-49.85	360.41	3.49	-46.36
CC1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(C2=CC=C(C)C=C2)=NO1	REAL300020159633	0	45	-1.0	-51.51	389.89	7.90	-43.61
CC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(C2=CC=C(C)C=C2)=NO1	REAL300020159633	1	45	-1.0	-51.51	389.83	7.87	-43.64
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1(C2=NC=CC=C2F)CC1	REAL300020159634	0	39	-1.0	-45.83	344.45	5.78	-40.05
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1(C2=NC=CC=C2F)CC1	REAL300020159634	1	39	-1.0	-45.84	344.40	5.76	-40.08
CC1=C(Cl)C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=NN1	REAL300020159635	0	33	-1.0	-53.48	308.04	3.09	-50.39
CC1=C(Cl)C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=NN1	REAL300020159635	1	33	-1.0	-53.53	307.98	3.06	-50.47
CC1=NNC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1Cl	REAL300020159635	1	33	-1.0	-51.01	307.26	3.13	-47.88
CC1=NNC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1Cl	REAL300020159635	1	33	-1.0	-51.00	307.21	3.11	-47.89
NC(=O)C1=CC=C(F)C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020159636	0	37	-1.0	-60.02	327.63	2.44	-57.58
NC(=O)C1=CC=C(F)C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020159636	1	37	-1.0	-60.02	327.57	2.41	-57.61
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CC12CC(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)(C1)CCO2	REAL300020159638	0	41	-1.0	-40.03	330.67	4.38	-35.65
CC12CC(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)(C1)CCO2	REAL300020159638	1	41	-1.0	-40.03	330.61	4.35	-35.68
CC(C)(C)OC(=O)N1CC(N=[N+]=[N-])(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C1	REAL300020159639	0	49	-1.0	-41.76	409.52	1.96	-39.80
CC(C)(C)OC(=O)N1CC(N=[N+]=[N-])(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C1	REAL300020159639	1	49	-1.0	-41.74	409.58	1.99	-39.75
[N-]=[N+]=N[C@@H]1C[C@@]2(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C[C@@H]12	REAL300020159640	0	36	-1.0	-48.18	322.34	1.85	-46.33
[N-]=[N+]=N[C@@H]1C[C@@]2(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C[C@@H]12	REAL300020159640	1	36	-1.0	-48.18	322.28	1.82	-46.36
[N-]=[N+]=NC12CCC(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)(CC1)C2	REAL300020159641	0	42	-1.0	-40.08	350.63	2.67	-37.41
[N-]=[N+]=NC12CCC(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)(CC1)C2	REAL300020159641	1	42	-1.0	-40.06	350.57	2.64	-37.42
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=NOC(C2=CC=C3OCOC3=C2)=C1	REAL300020159642	0	42	-1.0	-49.16	373.28	5.24	-43.92
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O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC(C2CCC2)=NO1	REAL300020159643	1	39	-1.0	-46.21	334.83	5.51	-40.70
CC(C)C1=NOC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C1	REAL300020159644	0	40	-1.0	-48.23	339.18	5.22	-43.01
CC(C)C1=NOC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C1	REAL300020159644	1	40	-1.0	-48.24	339.13	5.20	-43.04
CC1=CC(C(F)(F)C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CS1	REAL300020159645	0	36	-1.0	-38.90	335.59	6.12	-32.78
CC1=CC(C(F)(F)C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CS1	REAL300020159645	1	36	-1.0	-38.85	335.53	6.09	-32.76
[N-]=[N+]=NC1=CC=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020159646	0	35	-1.0	-40.16	316.19	3.27	-36.89
[N-]=[N+]=NC1=CC=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020159646	1	35	-1.0	-40.18	316.13	3.24	-36.94
[N-]=[N+]=NCC1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)O1	REAL300020159647	0	35	-1.0	-50.67	324.87	1.04	-49.63
[N-]=[N+]=NCC1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)O1	REAL300020159647	1	35	-1.0	-50.66	324.81	1.01	-49.65
CC1=NN(CC(F)(F)F)C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020159648	0	39	-1.0	-51.64	343.45	5.78	-45.86
CC1=NN(CC(F)(F)F)C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020159648	1	39	-1.0	-51.65	343.39	5.75	-45.90
[N-]=[N+]=NCCCCCCC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020159649	0	43	-1.0	-41.67	369.29	2.99	-38.68
[N-]=[N+]=NCCCCCCC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020159649	1	43	-1.0	-41.70	369.35	3.02	-38.68
[N-]=[N+]=NCC1=CC=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020159650	0	38	-1.0	-48.74	339.88	2.84	-45.90
[N-]=[N+]=NCC1=CC=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020159650	1	38	-1.0	-48.77	339.82	2.82	-45.95
[N-]=[N+]=NCCCCCCCCCC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020159651	0	52	-1.0	-42.03	433.79	5.33	-36.70
[N-]=[N+]=NCCCCCCCCCC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020159651	1	52	-1.0	-42.04	433.84	5.36	-36.68
CC1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C(Cl)N=C1Cl	REAL300020159652	0	35	-1.0	-46.70	330.89	5.25	-41.45
CC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C(Cl)N=C1Cl	REAL300020159652	1	35	-1.0	-46.70	330.83	5.22	-41.48
CC1=CC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(N=[N+]=[N-])=C1	REAL300020159653	0	38	-1.0	-56.52	336.14	4.23	-52.29
CC1=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(N=[N+]=[N-])=C1	REAL300020159653	1	38	-1.0	-56.53	336.09	4.20	-52.33
CCOCC(N=[N+]=[N-])C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020159654	0	38	-1.0	-40.31	337.33	0.08	-40.23
CCOCC(N=[N+]=[N-])C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020159654	1	38	-1.0	-40.32	337.27	0.06	-40.26
CC1=C(C)C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C(N2C=NN=N2)S1	REAL300020159655	0	41	-1.0	-58.71	369.80	6.02	-52.69
CC1=C(C)C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C(N2C=NN=N2)S1	REAL300020159655	1	41	-1.0	-58.70	369.74	6.00	-52.70
CC12CC3(C)CC(F)(C1)CC(C(=O)NC1=CC=CC(CC4=N[N-]N=N4)=C1)(C2)C3	REAL300020159656	0	53	-1.0	-45.39	399.89	8.48	-36.91
CC12CC3(C)CC(F)(C1)CC(C(=O)NC1=CC=CC(CC4=NN=N[N-]4)=C1)(C2)C3	REAL300020159656	1	53	-1.0	-45.38	399.95	8.50	-36.88
CN1C=C(C(F)(F)C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=N1	REAL300020159657	0	36	-1.0	-41.88	327.40	4.15	-37.73
CN1C=C(C(F)(F)C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=N1	REAL300020159657	1	36	-1.0	-41.81	327.34	4.13	-37.68
CC1(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CCCCNC1=O	REAL300020159658	0	43	-1.0	-39.66	333.56	3.10	-36.56
CC1(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CCCCNC1=O	REAL300020159658	1	43	-1.0	-39.65	333.50	3.07	-36.58
COC1=NC=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(C(F)(F)F)=N1	REAL300020159659	0	38	-1.0	-46.67	344.97	1.31	-45.36
COC1=NC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(C(F)(F)F)=N1	REAL300020159659	1	38	-1.0	-46.62	344.91	1.29	-45.33
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=C([N+](=O)[O-])C=NN1CC(F)F	REAL300020159660	0	38	-1.0	-61.15	338.92	6.65	-54.50
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COCCN1C=CC=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C1=O	REAL300020159710	1	43	-1.0	-63.70	364.07	5.19	-58.51
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=C2NC(=O)CCC2=CC=C1	REAL300020159711	0	41	-1.0	-64.36	343.52	5.16	-59.20
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=C2NC(=O)CCC2=CC=C1	REAL300020159711	1	41	-1.0	-64.32	343.46	5.13	-59.19
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=NN(CC(F)(F)F)C=C1Cl	REAL300020159712	0	36	-1.0	-48.31	348.37	5.22	-43.09
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=NN(CC(F)(F)F)C=C1Cl	REAL300020159712	1	36	-1.0	-48.30	348.31	5.19	-43.11
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O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)[C@]12COC[C@H]1C2(F)F	REAL300020159714	1	35	-1.0	-43.84	309.77	3.33	-40.51
CC1=CC=C(F)C=C1C(F)(F)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020159715	0	39	-1.0	-39.14	343.18	6.82	-32.32
CC1=CC=C(F)C=C1C(F)(F)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020159715	1	39	-1.0	-39.16	343.12	6.79	-32.37
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC=CN(C2CCC2)C1=O	REAL300020159716	0	43	-1.0	-54.27	354.76	6.53	-47.74
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC=CN(C2CCC2)C1=O	REAL300020159716	1	43	-1.0	-54.23	354.70	6.51	-47.72
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=NN(CC(F)F)C=C1[N+](=O)[O-]	REAL300020159717	0	38	-1.0	-53.04	350.97	6.03	-47.01
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=NN(CC(F)F)C=C1[N+](=O)[O-]	REAL300020159717	1	38	-1.0	-53.02	350.92	6.01	-47.01
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C(F)(F)C1=CC(F)=CC=C1F	REAL300020159718	0	36	-1.0	-40.13	333.56	6.38	-33.75
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C(F)(F)C1=CC(F)=CC=C1F	REAL300020159718	1	36	-1.0	-40.16	333.62	6.41	-33.75
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C(F)(F)C1=CC=CC(F)=C1F	REAL300020159719	0	36	-1.0	-46.93	333.70	6.40	-40.53
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C(F)(F)C1=CC=CC(F)=C1F	REAL300020159719	1	36	-1.0	-46.93	333.76	6.42	-40.51
CCC1=CC=CC=C1C(F)(F)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020159720	0	42	-1.0	-39.82	353.98	7.30	-32.52
CCC1=CC=CC=C1C(F)(F)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020159720	1	42	-1.0	-39.81	353.93	7.28	-32.53
O=C(CC(C1=CC=CC=C1)N1C=NN=N1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020159721	0	44	-1.0	-66.83	376.80	6.55	-60.28
O=C(CC(C1=CC=CC=C1)N1C=NN=N1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020159721	1	44	-1.0	-66.84	376.75	6.53	-60.31
CN1C2=C(CCCC1=O)OC=C2C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020159722	0	44	-1.0	-46.67	363.49	5.09	-41.58
CN1C2=C(CCCC1=O)OC=C2C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020159722	1	44	-1.0	-46.67	363.43	5.07	-41.60
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O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC2=CC=C(Cl)N=C2S1	REAL300020159723	1	35	-1.0	-42.80	339.31	5.48	-37.32
O=C(CC1=C2NC=CC=C2N=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020159724	0	39	-1.0	-56.07	339.61	4.42	-51.65
O=C(CC1=C2NC=CC=C2N=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020159724	1	39	-1.0	-56.05	339.55	4.39	-51.66
COC1=C2NC=C(CC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C2=CC=C1	REAL300020159725	0	44	-1.0	-46.51	374.67	5.57	-40.94
COC1=C2NC=C(CC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C2=CC=C1	REAL300020159725	1	44	-1.0	-46.45	374.61	5.55	-40.90
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=CC2=C(Cl)C=C(F)C=C2N1	REAL300020159726	0	37	-1.0	-51.03	345.31	6.06	-44.97
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1=CC2=C(Cl)C=C(F)C=C2N1	REAL300020159726	1	37	-1.0	-50.98	345.25	6.03	-44.95
COC(=O)C1=CC=C(CC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(C)=C1	REAL300020159727	0	45	-1.0	-45.35	384.76	7.37	-37.98
COC(=O)C1=CC=C(CC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(C)=C1	REAL300020159727	1	45	-1.0	-45.36	384.70	7.34	-38.02
COCC(C)(O)CC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020159728	0	40	-1.0	-41.83	330.01	2.07	-39.76
COCC(C)(O)CC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020159728	1	40	-1.0	-41.81	329.96	2.04	-39.77
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CS(C)(=O)=NC1=CC=NC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020159730	0	42	-1.0	-58.45	366.66	2.18	-56.27
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CC1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)NC2=C1CCCC2	REAL300020159731	0	44	-1.0	-53.71	356.95	6.42	-47.29
CC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)NC2=C1CCCC2	REAL300020159731	1	44	-1.0	-53.68	356.90	6.40	-47.28
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COC(=O)C1=CSC(CC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020159733	0	39	-1.0	-45.89	359.66	6.03	-39.86
COC(=O)C1=CSC(CC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020159733	1	39	-1.0	-45.88	359.61	6.00	-39.88
COC(=O)C1=CC=C(CC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1F	REAL300020159734	0	42	-1.0	-48.10	372.54	6.90	-41.20
COC(=O)C1=CC=C(CC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1F	REAL300020159734	1	42	-1.0	-48.14	372.60	6.93	-41.21
CCC1=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=CS1	REAL300020159735	0	36	-1.0	-51.08	318.30	6.03	-45.05
CCC1=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=CS1	REAL300020159735	1	36	-1.0	-51.09	318.24	6.01	-45.08
C[NH+](C)[C@H]1C[C@H](C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C1	REAL300020159736	0	42	0.0	-63.03	338.51	5.71	-57.32
C[NH+](C)[C@H]1C[C@H](C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C1	REAL300020159736	1	42	0.0	-63.06	338.45	5.69	-57.37
CCCCN1C=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)N=N1	REAL300020159737	0	41	-1.0	-48.67	354.24	4.29	-44.38
CCCCN1C=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)N=N1	REAL300020159737	1	41	-1.0	-48.64	354.19	4.26	-44.38
C[C@H]1C(=O)N(CC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(=O)[C@H]1C	REAL300020159738	0	42	-1.0	-48.47	354.52	4.32	-44.15
C[C@H]1C(=O)N(CC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(=O)[C@H]1C	REAL300020159738	1	42	-1.0	-48.45	354.46	4.29	-44.16
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COC(=O)[C@@H]1[C@H](C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C1(C)C	REAL300020159740	0	42	-1.0	-49.06	349.75	5.97	-43.09
COC(=O)[C@@H]1[C@H](C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C1(C)C	REAL300020159740	1	42	-1.0	-49.08	349.69	5.95	-43.13
COC(=O)C1=C2CCCCC2=C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)S1	REAL300020159741	0	46	-1.0	-40.19	392.50	7.73	-32.46
COC(=O)C1=C2CCCCC2=C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)S1	REAL300020159741	1	46	-1.0	-40.19	392.45	7.71	-32.48
CCC1=NOC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C1	REAL300020159742	0	37	-1.0	-47.04	319.29	4.68	-42.36
CCC1=NOC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C1	REAL300020159742	1	37	-1.0	-46.99	319.23	4.65	-42.34
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O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1CC(C2CCOCC2)=NO1	REAL300020159743	1	45	-1.0	-49.05	372.01	4.74	-44.31
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)C1CC(CC2=CC=CC=C2)=NO1	REAL300020159744	0	44	-1.0	-50.58	378.86	7.64	-42.94
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1CC(CC2=CC=CC=C2)=NO1	REAL300020159744	1	44	-1.0	-50.62	378.92	7.66	-42.96
CC1=NOC2(CC(C(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C2)C1	REAL300020159745	0	41	-1.0	-43.75	345.82	4.75	-39.00
CC1=NOC2(CC(C(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C2)C1	REAL300020159745	1	41	-1.0	-43.77	345.77	4.72	-39.05
CCCC1=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=NN1C	REAL300020159746	0	42	-1.0	-54.03	357.10	5.36	-48.67
CCCC1=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=NN1C	REAL300020159746	1	42	-1.0	-54.04	357.04	5.34	-48.70
CCCC1=NN(C)C(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020159747	0	42	-1.0	-43.50	352.12	5.58	-37.92
CCCC1=NN(C)C(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020159747	1	42	-1.0	-43.49	352.06	5.55	-37.94
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)CC1	REAL300020159748	0	48	0.0	-54.85	360.89	6.65	-48.20
C[NH+](C)[C@H]1CC[C@@H](C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)CC1	REAL300020159748	1	48	0.0	-54.88	360.83	6.63	-48.25
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)C1=C2CCCCC2=NNC1=O	REAL300020159749	0	42	-1.0	-49.24	343.52	3.82	-45.42
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CC(C)CC1=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=NO1	REAL300020159750	0	41	-1.0	-48.48	349.61	5.70	-42.78
CC(C)CC1=CC(C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=NO1	REAL300020159750	1	41	-1.0	-48.48	349.55	5.68	-42.80
CC1=C(C2CC2)ON=C1C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020159751	0	39	-1.0	-42.93	338.22	5.87	-37.06
CC1=C(C2CC2)ON=C1C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020159751	1	39	-1.0	-42.94	338.17	5.84	-37.10
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CC(NC1=CC=C(C(F)(F)F)C=N1)C(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020159754	0	43	-1.0	-42.08	377.56	5.29	-36.79
CC(NC1=CC=C(C(F)(F)F)C=N1)C(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020159754	1	43	-1.0	-42.10	377.51	5.27	-36.83
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CC1=CC(C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=NN1CC(F)(F)F	REAL300020159757	0	39	-1.0	-46.02	352.18	5.06	-40.96
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CSCC[C@H](NC(=O)C1CC(C)CC2=CNN=C21)C1=NN=N[N-]1	REAL300020166556	1	43	-1.0	-49.97	361.19	3.66	-46.31
CSCC[C@H](NC(=O)C1(C(=O)OC(C)(C)C)CCCO1)C1=N[N-]N=N1	REAL300020166557	0	49	-1.0	-48.56	405.75	4.39	-44.17
CSCC[C@H](NC(=O)C1(C(=O)OC(C)(C)C)CCCO1)C1=NN=N[N-]1	REAL300020166557	1	49	-1.0	-48.58	405.80	4.41	-44.17
CSCC[C@H](NC(=O)CC(N1C=CN=C1)C(F)(F)F)C1=N[N-]N=N1	REAL300020166558	0	39	-1.0	-48.99	356.07	5.10	-43.89
CSCC[C@H](NC(=O)CC(N1C=CN=C1)C(F)(F)F)C1=NN=N[N-]1	REAL300020166558	1	39	-1.0	-49.03	356.13	5.11	-43.92
CSCC[C@H](NC(=O)C1=CC(N2C=CN=C2)=CC=C1O)C1=N[N-]N=N1	REAL300020166559	0	41	-1.0	-51.13	362.27	5.00	-46.13
CSCC[C@H](NC(=O)C1=CC(N2C=CN=C2)=CC=C1O)C1=NN=N[N-]1	REAL300020166559	1	41	-1.0	-51.11	362.32	5.02	-46.09
CSCC[C@H](NC(=O)C1=CSC(Br)=N1)C1=NN=N[N-]1	REAL300020166560	0	29	-1.0	-44.31	306.56	1.68	-42.63
CSCC[C@H](NC(=O)C1=CSC(Br)=N1)C1=N[N-]N=N1	REAL300020166560	1	29	-1.0	-44.32	306.50	1.67	-42.65
CSCC[C@H](NC(=O)C(CC(C)C)N1C=CN=C1)C1=N[N-]N=N1	REAL300020166561	0	45	-1.0	-49.80	381.44	6.19	-43.61
CSCC[C@H](NC(=O)C(CC(C)C)N1C=CN=C1)C1=NN=N[N-]1	REAL300020166561	1	45	-1.0	-49.80	381.50	6.21	-43.59
CSCC[C@H](NC(=O)C1=CN=C(Cl)N1C)C1=NN=N[N-]1	REAL300020166562	0	33	-1.0	-42.44	313.88	2.98	-39.46
CSCC[C@H](NC(=O)C1=CN=C(Cl)N1C)C1=N[N-]N=N1	REAL300020166562	1	33	-1.0	-42.42	313.83	2.96	-39.46
CSCC[C@H](NC(=O)C1=CC(C2CCCN2C)=NN1)C1=N[N-]N=N1	REAL300020166563	0	45	-1.0	-44.16	382.71	1.17	-42.99
CSCC[C@H](NC(=O)C1=CC(C2CCCN2C)=NN1)C1=NN=N[N-]1	REAL300020166563	1	45	-1.0	-44.17	382.77	1.19	-42.98
CSCC[C@H](NC(=O)C=C1SCC(=O)N1C)C1=N[N-]N=N1	REAL300020166564	0	36	-1.0	-46.79	330.78	2.54	-44.25
CSCC[C@H](NC(=O)C=C1SCC(=O)N1C)C1=NN=N[N-]1	REAL300020166564	1	36	-1.0	-46.81	330.83	2.56	-44.25
CSCC[C@H](NC(=O)C1(C)CC(C2=CC=CC=C2)=NO1)C1=N[N-]N=N1	REAL300020166565	0	44	-1.0	-48.88	384.91	4.98	-43.90
CSCC[C@H](NC(=O)C1(C)CC(C2=CC=CC=C2)=NO1)C1=NN=N[N-]1	REAL300020166565	1	44	-1.0	-48.87	384.97	4.99	-43.88
CSCC[C@H](NC(=O)CCC(=O)NC1=C(F)C=CC=C1F)C1=N[N-]N=N1	REAL300020166566	0	43	-1.0	-49.95	394.11	4.06	-45.89
CSCC[C@H](NC(=O)CCC(=O)NC1=C(F)C=CC=C1F)C1=NN=N[N-]1	REAL300020166566	1	43	-1.0	-49.93	394.16	4.07	-45.86
CSCC[C@H](NC(=O)C(C1=CC=C(Cl)C=C1)N(C)C)C1=N[N-]N=N1	REAL300020166567	0	44	-1.0	-46.17	389.84	4.33	-41.84
CSCC[C@H](NC(=O)C(C1=CC=C(Cl)C=C1)N(C)C)C1=NN=N[N-]1	REAL300020166567	1	44	-1.0	-46.20	389.90	4.34	-41.86
CSCC[C@H](NC(=O)C(C1=CC=C(Cl)C=C1)[NH+](C)C)C1=NN=N[N-]1	REAL300020166567	1	45	0.0	-59.43	389.17	6.53	-52.90
CSCC[C@H](NC(=O)C1(C(=O)OC(C)(C)C)CCC1)C1=N[N-]N=N1	REAL300020166568	0	48	-1.0	-47.40	393.65	5.86	-41.54
CSCC[C@H](NC(=O)C1(C(=O)OC(C)(C)C)CCC1)C1=NN=N[N-]1	REAL300020166568	1	48	-1.0	-47.41	393.71	5.87	-41.54
CSCC[C@H](NC(=O)C1=CN=C2C=CC=C(C)N12)C1=NN=N[N-]1	REAL300020166569	0	39	-1.0	-49.04	335.89	4.88	-44.16
CSCC[C@H](NC(=O)C1=CN=C2C=CC=C(C)N12)C1=N[N-]N=N1	REAL300020166569	1	39	-1.0	-49.00	335.83	4.87	-44.13
CSCC[C@H](NC(=O)C(C)=CC1=CC=NC=C1)C1=N[N-]N=N1	REAL300020166570	0	39	-1.0	-45.71	339.82	4.10	-41.61
CSCC[C@H](NC(=O)C(C)=CC1=CC=NC=C1)C1=NN=N[N-]1	REAL300020166570	1	39	-1.0	-45.71	339.88	4.11	-41.60
CSCC[C@H](NC(=O)C(C)=CC1=CC=CC=N1)C1=N[N-]N=N1	REAL300020166571	0	39	-1.0	-47.29	341.10	5.16	-42.13
CSCC[C@H](NC(=O)C(C)=CC1=CC=CC=N1)C1=NN=N[N-]1	REAL300020166571	1	39	-1.0	-47.26	341.16	5.17	-42.09
CSCC[C@H](NC(=O)C(C)=CC1=CC=CN=C1)C1=N[N-]N=N1	REAL300020166572	0	39	-1.0	-48.14	339.53	4.09	-44.05
CSCC[C@H](NC(=O)C(C)=CC1=CC=CN=C1)C1=NN=N[N-]1	REAL300020166572	1	39	-1.0	-48.14	339.58	4.11	-44.03
CSCC[C@H](NC(=O)C(C)=CC1=CC=CO1)C1=N[N-]N=N1	REAL300020166573	0	37	-1.0	-47.01	327.02	4.28	-42.73
CSCC[C@H](NC(=O)C(C)=CC1=CC=CO1)C1=NN=N[N-]1	REAL300020166573	1	37	-1.0	-47.00	327.07	4.30	-42.70
CSCC[C@H](NC(=O)C1=C(C)C2=CC=CC=C2C(=O)N1)C1=N[N-]N=N1	REAL300020166574	0	42	-1.0	-45.88	360.69	3.97	-41.91
CSCC[C@H](NC(=O)C1=C(C)C2=CC=CC=C2C(=O)N1)C1=NN=N[N-]1	REAL300020166574	1	42	-1.0	-45.88	360.75	3.98	-41.90
CSCC[C@H](NC(=O)CC(C)N1CCC2=CC=CC=C21)C1=N[N-]N=N1	REAL300020166575	0	48	-1.0	-51.13	388.61	5.36	-45.77
CSCC[C@H](NC(=O)CC(C)N1CCC2=CC=CC=C21)C1=NN=N[N-]1	REAL300020166575	1	48	-1.0	-51.09	388.66	5.38	-45.71
CCN1C(=O)NC2=CC=C(C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)C=C21	REAL300020166576	0	43	-1.0	-49.02	377.31	3.92	-45.10
CCN1C(=O)NC2=CC=C(C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)C=C21	REAL300020166576	1	43	-1.0	-49.01	377.36	3.93	-45.08
CSCC[C@H](NC(=O)C1=CC(C)=NC(NC2CC2)=C1)C1=N[N-]N=N1	REAL300020166577	0	44	-1.0	-45.80	380.17	4.24	-41.56
CSCC[C@H](NC(=O)C1=CC(C)=NC(NC2CC2)=C1)C1=NN=N[N-]1	REAL300020166577	1	44	-1.0	-45.81	380.22	4.26	-41.55
CSCC[C@H](NC(=O)C1=CN=C(C2=CC=C(C)C(C)=C2)S1)C1=NN=N[N-]1	REAL300020166578	0	45	-1.0	-46.27	403.46	6.24	-40.03
CSCC[C@H](NC(=O)C1=CN=C(C2=CC=C(C)C(C)=C2)S1)C1=N[N-]N=N1	REAL300020166578	1	45	-1.0	-46.29	403.40	6.23	-40.06
CSCC[C@H](NC(=O)CCC1=CC=C2OC(F)(F)OC2=C1)C1=N[N-]N=N1	REAL300020166579	0	42	-1.0	-47.30	383.17	4.67	-42.63
CSCC[C@H](NC(=O)CCC1=CC=C2OC(F)(F)OC2=C1)C1=NN=N[N-]1	REAL300020166579	1	42	-1.0	-47.33	383.22	4.68	-42.65
CSCC[C@H](NC(=O)C1=C(C(F)F)N(C2=CC=CC=C2)N=N1)C1=N[N-]N=N1	REAL300020166580	0	42	-1.0	-44.09	379.63	4.34	-39.75
CSCC[C@H](NC(=O)C1=C(C(F)F)N(C2=CC=CC=C2)N=N1)C1=NN=N[N-]1	REAL300020166580	1	42	-1.0	-44.08	379.69	4.35	-39.73
CSCC[C@H](NC(=O)C1CCC2(CC2(F)F)CC1)C1=N[N-]N=N1	REAL300020166581	0	43	-1.0	-54.03	360.07	5.62	-48.41
CSCC[C@H](NC(=O)C1CCC2(CC2(F)F)CC1)C1=NN=N[N-]1	REAL300020166581	1	43	-1.0	-54.00	360.12	5.64	-48.36
CSCC[C@H](NC(=O)C1=CC=C(C(F)F)C=C1F)C1=N[N-]N=N1	REAL300020166582	0	36	-1.0	-52.74	336.23	5.08	-47.66
CSCC[C@H](NC(=O)C1=CC=C(C(F)F)C=C1F)C1=NN=N[N-]1	REAL300020166582	1	36	-1.0	-52.76	336.28	5.09	-47.67
CSCC[C@H](NC(=O)CC1OCC2=CC(Cl)=CC=C21)C1=N[N-]N=N1	REAL300020166583	0	41	-1.0	-46.80	373.34	5.32	-41.48
CSCC[C@H](NC(=O)CC1OCC2=CC(Cl)=CC=C21)C1=NN=N[N-]1	REAL300020166583	1	41	-1.0	-46.80	373.40	5.33	-41.47
CSCC[C@H](NC(=O)C1=CC=C(OCC(F)(F)F)O1)C1=N[N-]N=N1	REAL300020166584	0	37	-1.0	-43.21	356.16	3.93	-39.28
CSCC[C@H](NC(=O)C1=CC=C(OCC(F)(F)F)O1)C1=NN=N[N-]1	REAL300020166584	1	37	-1.0	-43.22	356.22	3.95	-39.27
CSCC[C@H](NC(=O)C1=CC(F)=C(Cl)C(N)=C1Cl)C1=N[N-]N=N1	REAL300020166585	0	35	-1.0	-42.27	342.93	3.18	-39.09
CSCC[C@H](NC(=O)C1=CC(F)=C(Cl)C(N)=C1Cl)C1=NN=N[N-]1	REAL300020166585	1	35	-1.0	-42.24	342.99	3.20	-39.04
CSCC[C@H](NC(=O)CNC1=CC=C(S(C)(=O)=O)C=C1)C1=N[N-]N=N1	REAL300020166586	0	44	-1.0	-51.00	395.72	0.58	-50.42
CSCC[C@H](NC(=O)CNC1=CC=C(S(C)(=O)=O)C=C1)C1=NN=N[N-]1	REAL300020166586	1	44	-1.0	-51.00	395.78	0.59	-50.41
CSCC[C@H](NC(=O)C1=CC=NC=C1NC(=O)C(F)(F)F)C1=NN=N[N-]1	REAL300020166587	0	39	-1.0	-44.01	363.62	2.04	-41.97
CSCC[C@H](NC(=O)C1=CC=NC=C1NC(=O)C(F)(F)F)C1=N[N-]N=N1	REAL300020166587	1	39	-1.0	-44.04	363.56	2.02	-42.02
COC1=CC=CC(O)=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020166588	0	38	-1.0	-52.08	341.19	0.48	-51.60
COC1=CC=CC(O)=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020166588	1	38	-1.0	-52.12	341.25	0.50	-51.62
CSCC[C@H](NC(=O)C1=CSC(N2CCCCC2)=N1)C1=NN=N[N-]1	REAL300020166589	0	44	-1.0	-45.45	382.79	3.58	-41.87
CSCC[C@H](NC(=O)C1=CSC(N2CCCCC2)=N1)C1=N[N-]N=N1	REAL300020166589	1	44	-1.0	-45.43	382.74	3.57	-41.86
CSCC[C@H](NC(=O)C1=NOC(C2=CC=CC(O)=C2)=C1)C1=N[N-]N=N1	REAL300020166590	0	40	-1.0	-45.76	367.18	2.26	-43.50
CSCC[C@H](NC(=O)C1=NOC(C2=CC=CC(O)=C2)=C1)C1=NN=N[N-]1	REAL300020166590	1	40	-1.0	-45.77	367.24	2.28	-43.49
CCC(CC)(C(=O)N[C@@H](CCSC)C1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL300020166591	0	53	-1.0	-53.75	422.44	7.08	-46.67
CCC(CC)(C(=O)N[C@@H](CCSC)C1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL300020166591	1	53	-1.0	-53.68	422.50	7.09	-46.59
CSCC[C@H](NC(=O)C1=CC2=CN=CC=C2C=C1)C1=N[N-]N=N1	REAL300020166592	0	38	-1.0	-47.19	338.48	4.58	-42.61
CSCC[C@H](NC(=O)C1=CC2=CN=CC=C2C=C1)C1=NN=N[N-]1	REAL300020166592	1	38	-1.0	-47.22	338.54	4.60	-42.62
CSCC[C@H](NC(=O)C12CC[N@H+](C1)CCC2)C1=NN=N[N-]1	REAL300020166593	0	43	0.0	-61.66	339.36	3.73	-57.93
CSCC[C@H](NC(=O)C12CC[N@@H+](C1)CCC2)C1=NN=N[N-]1	REAL300020166593	1	43	0.0	-63.94	339.44	3.73	-60.21
CSCC[C@H](NC(=O)C12CC[N@H+](C1)CCC2)C1=N[N-]N=N1	REAL300020166593	1	43	0.0	-61.63	339.31	3.71	-57.92
CSCC[C@H](NC(=O)C12CC[N@@H+](C1)CCC2)C1=N[N-]N=N1	REAL300020166593	1	43	0.0	-63.94	339.39	3.72	-60.22
CSCC[C@H](NC(=O)C1=CCN(C(=O)OC(C)(C)C)CC1)C1=N[N-]N=N1	REAL300020166594	0	51	-1.0	-48.94	416.54	5.05	-43.89
CSCC[C@H](NC(=O)C1=CCN(C(=O)OC(C)(C)C)CC1)C1=NN=N[N-]1	REAL300020166594	1	51	-1.0	-48.97	416.59	5.06	-43.91
CSCC[C@H](NC(=O)C1=CC=NC2=C1NC(=O)N2)C1=N[N-]N=N1	REAL300020166595	0	36	-1.0	-48.42	326.34	0.29	-48.13
CSCC[C@H](NC(=O)C1=CC=NC2=C1NC(=O)N2)C1=NN=N[N-]1	REAL300020166595	1	36	-1.0	-48.44	326.40	0.31	-48.13
CSCC[C@H](NC(=O)C1(CC2=CC=CC=C2)CCN(C)C1=O)C1=N[N-]N=N1	REAL300020166596	0	50	-1.0	-45.25	397.21	6.87	-38.38
CSCC[C@H](NC(=O)C1(CC2=CC=CC=C2)CCN(C)C1=O)C1=NN=N[N-]1	REAL300020166596	1	50	-1.0	-45.24	397.26	6.89	-38.35
CSCC[C@H](NC(=O)[C@H]1[C@@H](O)C(=O)N(C)[C@@H]1C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020166597	0	48	-1.0	-47.29	409.52	2.16	-45.13
CSCC[C@H](NC(=O)[C@H]1[C@@H](O)C(=O)N(C)[C@@H]1C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020166597	1	48	-1.0	-47.28	409.57	2.17	-45.11
CSCC[C@H](NC(=O)C1=C2N=CNC2=CN=C1)C1=NN=N[N-]1	REAL300020166598	0	35	-1.0	-57.72	317.82	2.11	-55.61
CSCC[C@H](NC(=O)C1=C2N=CNC2=CN=C1)C1=N[N-]N=N1	REAL300020166598	1	35	-1.0	-57.69	317.76	2.09	-55.60
CSCC[C@H](NC(=O)C1=CC=C(C2=CC=CC=N2)N=C1)C1=N[N-]N=N1	REAL300020166599	0	41	-1.0	-47.33	366.78	4.45	-42.88
CSCC[C@H](NC(=O)C1=CC=C(C2=CC=CC=N2)N=C1)C1=NN=N[N-]1	REAL300020166599	1	41	-1.0	-47.36	366.84	4.46	-42.90
CSCC[C@H](NC(=O)C1(C(=O)OC(C)(C)C)CC=CCC1)C1=N[N-]N=N1	REAL300020166600	0	52	-1.0	-46.28	419.84	6.65	-39.63
CSCC[C@H](NC(=O)C1(C(=O)OC(C)(C)C)CC=CCC1)C1=NN=N[N-]1	REAL300020166600	1	52	-1.0	-46.29	419.90	6.66	-39.63
CSCC[C@H](NC(=O)C1=C(C)N=C(C2=CC=CC=C2F)S1)C1=NN=N[N-]1	REAL300020166601	0	42	-1.0	-48.94	385.95	5.88	-43.06
CSCC[C@H](NC(=O)C1=C(C)N=C(C2=CC=CC=C2F)S1)C1=N[N-]N=N1	REAL300020166601	1	42	-1.0	-48.92	385.90	5.86	-43.06
CSCC[C@H](NC(=O)C1=CC=CC(N2C=NC=N2)=N1)C1=NN=N[N-]1	REAL300020166602	0	38	-1.0	-46.11	350.31	6.00	-40.11
CSCC[C@H](NC(=O)C1=CC=CC(N2C=NC=N2)=N1)C1=N[N-]N=N1	REAL300020166602	1	38	-1.0	-46.08	350.25	5.99	-40.09
CSCC[C@H](NC(=O)C1=C2N=CSC2=CC=C1)C1=NN=N[N-]1	REAL300020166603	0	35	-1.0	-55.17	327.63	3.74	-51.43
CSCC[C@H](NC(=O)C1=C2N=CSC2=CC=C1)C1=N[N-]N=N1	REAL300020166603	1	35	-1.0	-55.17	327.57	3.72	-51.45
CSCC[C@H](NC(=O)C1=COC(S(C)(=O)=O)=C1)C1=N[N-]N=N1	REAL300020166604	0	36	-1.0	-53.99	344.19	-0.34	-54.33
CSCC[C@H](NC(=O)C1=COC(S(C)(=O)=O)=C1)C1=NN=N[N-]1	REAL300020166604	1	36	-1.0	-53.99	344.24	-0.33	-54.32
CSCC[C@H](NC(=O)[C@@H]1CSC[C@H]1C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020166605	0	44	-1.0	-48.55	381.38	6.93	-41.62
CSCC[C@H](NC(=O)[C@@H]1CSC[C@H]1C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020166605	1	44	-1.0	-48.59	381.44	6.94	-41.65
CSCC[C@H](NC(=O)C1=COC2=CC=C(Cl)C=C12)C1=N[N-]N=N1	REAL300020166606	0	36	-1.0	-50.51	342.95	4.93	-45.58
CSCC[C@H](NC(=O)C1=COC2=CC=C(Cl)C=C12)C1=NN=N[N-]1	REAL300020166606	1	36	-1.0	-50.50	343.01	4.95	-45.55
CSCC[C@H](NC(=O)C1=CN(C2=CC=CC=C2)C=N1)C1=NN=N[N-]1	REAL300020166607	0	40	-1.0	-49.85	357.43	6.36	-43.49
CSCC[C@H](NC(=O)C1=CN(C2=CC=CC=C2)C=N1)C1=N[N-]N=N1	REAL300020166607	1	40	-1.0	-49.82	357.38	6.35	-43.47
CSCC[C@H](NC(=O)C1=CC=CC=C1NCC1=CC=CO1)C1=N[N-]N=N1	REAL300020166608	0	45	-1.0	-49.17	389.38	5.21	-43.96
CSCC[C@H](NC(=O)C1=CC=CC=C1NCC1=CC=CO1)C1=NN=N[N-]1	REAL300020166608	1	45	-1.0	-49.13	389.44	5.22	-43.91
CNC1=CC(Cl)=CC=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020166609	0	38	-1.0	-42.73	343.94	3.77	-38.96
CNC1=CC(Cl)=CC=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020166609	1	38	-1.0	-42.74	344.00	3.78	-38.96
CSCC[C@H](NC(=O)CNC1=CC=CC=N1)C1=N[N-]N=N1	REAL300020166610	0	37	-1.0	-48.18	329.84	2.16	-46.02
CSCC[C@H](NC(=O)CNC1=CC=CC=N1)C1=NN=N[N-]1	REAL300020166610	1	37	-1.0	-48.18	329.89	2.18	-46.00
CSCC[C@H](NC(=O)C1=CC=NC(NC2CCC2)=C1)C1=N[N-]N=N1	REAL300020166611	0	44	-1.0	-45.98	375.38	4.17	-41.81
CSCC[C@H](NC(=O)C1=CC=NC(NC2CCC2)=C1)C1=NN=N[N-]1	REAL300020166611	1	44	-1.0	-46.01	375.44	4.18	-41.83
CSCC[C@H](NC(=O)C1=CC=C(C(=O)OC(C)(C)C)N=C1)C1=NN=N[N-]1	REAL300020166612	0	47	-1.0	-44.39	403.19	4.98	-39.41
CSCC[C@H](NC(=O)C1=CC=C(C(=O)OC(C)(C)C)N=C1)C1=N[N-]N=N1	REAL300020166612	1	47	-1.0	-44.42	403.14	4.96	-39.46
CSCC[C@H](NC(=O)C1CCS(=O)(=O)N1)C1=N[N-]N=N1	REAL300020166613	0	35	-1.0	-55.82	320.86	-2.64	-58.46
CSCC[C@H](NC(=O)C1CCS(=O)(=O)N1)C1=NN=N[N-]1	REAL300020166613	1	35	-1.0	-55.82	320.92	-2.63	-58.45
CSCC[C@H](NC(=O)C1CCC(C(C)(C)O)CC1)C1=N[N-]N=N1	REAL300020166614	0	49	-1.0	-48.59	383.28	2.76	-45.83
CSCC[C@H](NC(=O)C1CCC(C(C)(C)O)CC1)C1=NN=N[N-]1	REAL300020166614	1	49	-1.0	-48.62	383.34	2.77	-45.85
CSCC[C@H](NC(=O)C=CC1CCCCCC1)C1=N[N-]N=N1	REAL300020166615	0	46	-1.0	-45.00	371.01	6.10	-38.90
CSCC[C@H](NC(=O)C=CC1CCCCCC1)C1=NN=N[N-]1	REAL300020166615	1	46	-1.0	-44.96	371.07	6.11	-38.85
CSCC[C@H](NC(=O)CC1=CC=C(F)C=C1[N+](=O)[O-])C1=N[N-]N=N1	REAL300020166616	0	38	-1.0	-46.50	349.14	5.18	-41.32
CSCC[C@H](NC(=O)CC1=CC=C(F)C=C1[N+](=O)[O-])C1=NN=N[N-]1	REAL300020166616	1	38	-1.0	-46.49	349.20	5.19	-41.30
CSCC[C@H](NC(=O)C(C)(C)NC(=O)COC(C)(C)C)C1=N[N-]N=N1	REAL300020166617	0	52	-1.0	-44.47	421.86	3.09	-41.38
CSCC[C@H](NC(=O)C(C)(C)NC(=O)COC(C)(C)C)C1=NN=N[N-]1	REAL300020166617	1	52	-1.0	-44.46	421.92	3.10	-41.36
CSCC[C@H](NC(=O)C1CCC2=CC=CC=C2C1)C1=N[N-]N=N1	REAL300020166618	0	43	-1.0	-45.00	361.55	6.44	-38.56
CSCC[C@H](NC(=O)C1CCC2=CC=CC=C2C1)C1=NN=N[N-]1	REAL300020166618	1	43	-1.0	-44.98	361.61	6.45	-38.53
CSCC[C@H](NC(=O)COCC(C)C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020166619	0	46	-1.0	-48.38	394.95	6.46	-41.92
CSCC[C@H](NC(=O)COCC(C)C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020166619	1	46	-1.0	-48.38	395.01	6.47	-41.91
CSCC[C@H](NC(=O)COCCC1=CC=CC(F)=C1)C1=N[N-]N=N1	REAL300020166620	0	43	-1.0	-48.33	384.55	6.00	-42.33
CSCC[C@H](NC(=O)COCCC1=CC=CC(F)=C1)C1=NN=N[N-]1	REAL300020166620	1	43	-1.0	-48.37	384.60	6.01	-42.36
CSCC[C@H](NC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2)C1=N[N-]N=N1	REAL300020166621	0	41	-1.0	-47.85	335.48	5.11	-42.74
CSCC[C@H](NC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2)C1=NN=N[N-]1	REAL300020166621	1	41	-1.0	-47.84	335.54	5.12	-42.72
CSCC[C@H](NC(=O)C[C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300020166622	0	56	-1.0	-46.08	450.95	4.21	-41.87
CSCC[C@H](NC(=O)C[C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300020166622	1	56	-1.0	-46.04	451.01	4.22	-41.82
CNC(=O)NC1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C(Cl)=C1	REAL300020166623	0	42	-1.0	-51.04	381.16	2.12	-48.92
CNC(=O)NC1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C(Cl)=C1	REAL300020166623	1	42	-1.0	-51.03	381.22	2.14	-48.89
CSCC[C@H](NC(=O)CN1N=C2CCCCN2C1=O)C1=N[N-]N=N1	REAL300020166624	0	43	-1.0	-60.94	372.66	4.14	-56.80
CSCC[C@H](NC(=O)CN1N=C2CCCCN2C1=O)C1=NN=N[N-]1	REAL300020166624	1	43	-1.0	-60.97	372.71	4.15	-56.82
CSCC[C@H](NC(=O)C1=CC(F)=CC2=CC=NC=C21)C1=NN=N[N-]1	REAL300020166625	0	38	-1.0	-46.93	340.53	4.62	-42.31
CSCC[C@H](NC(=O)C1=CC(F)=CC2=CC=NC=C21)C1=N[N-]N=N1	REAL300020166625	1	38	-1.0	-46.93	340.47	4.60	-42.33
CSCC[C@H](NC(=O)C1=CC2=C(S1)C(=O)NC=C2)C1=N[N-]N=N1	REAL300020166626	0	36	-1.0	-51.33	341.90	2.43	-48.90
CSCC[C@H](NC(=O)C1=CC2=C(S1)C(=O)NC=C2)C1=NN=N[N-]1	REAL300020166626	1	36	-1.0	-51.33	341.96	2.45	-48.88
CSCC[C@H](NC(=O)C1=CN=C(C2=CC=CC=C2Cl)N=C1)C1=NN=N[N-]1	REAL300020166627	0	41	-1.0	-46.77	379.03	6.37	-40.40
CSCC[C@H](NC(=O)C1=CN=C(C2=CC=CC=C2Cl)N=C1)C1=N[N-]N=N1	REAL300020166627	1	41	-1.0	-46.75	378.97	6.35	-40.40
CSCC[C@H](NC(=O)C1=CC=C(N2N=NN=C2C)C=C1)C1=N[N-]N=N1	REAL300020166628	0	41	-1.0	-49.52	364.83	4.12	-45.40
CSCC[C@H](NC(=O)C1=CC=C(N2N=NN=C2C)C=C1)C1=NN=N[N-]1	REAL300020166628	1	41	-1.0	-49.55	364.89	4.14	-45.41
CSCC[C@H](NC(=O)CC(C)N1C=CN=C1)C1=N[N-]N=N1	REAL300020166629	0	39	-1.0	-44.11	339.72	4.70	-39.41
CSCC[C@H](NC(=O)CC(C)N1C=CN=C1)C1=NN=N[N-]1	REAL300020166629	1	39	-1.0	-44.16	339.78	4.72	-39.44
CCN1C=CC(CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=N1	REAL300020166630	0	39	-1.0	-52.06	345.72	3.38	-48.68
CCN1C=CC(CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=N1	REAL300020166630	1	39	-1.0	-52.08	345.77	3.40	-48.68
CSCC[C@H](NC(=O)CC1=C(C)N(CC2CC2)N=C1C)C1=N[N-]N=N1	REAL300020166631	0	49	-1.0	-51.76	416.51	5.93	-45.83
CSCC[C@H](NC(=O)CC1=C(C)N(CC2CC2)N=C1C)C1=NN=N[N-]1	REAL300020166631	1	49	-1.0	-51.73	416.57	5.94	-45.79
CSCC[C@H](NC(=O)CCCC1=CC=C2CCCCC2=C1)C1=N[N-]N=N1	REAL300020166632	0	52	-1.0	-48.08	427.75	8.84	-39.24
CSCC[C@H](NC(=O)CCCC1=CC=C2CCCCC2=C1)C1=NN=N[N-]1	REAL300020166632	1	52	-1.0	-48.04	427.81	8.86	-39.18
CSCC[C@H](NC(=O)C1=CC=CC2=C1OCCCO2)C1=N[N-]N=N1	REAL300020166633	0	42	-1.0	-53.30	358.26	5.08	-48.22
CSCC[C@H](NC(=O)C1=CC=CC2=C1OCCCO2)C1=NN=N[N-]1	REAL300020166633	1	42	-1.0	-53.30	358.32	5.10	-48.20
CSCC[C@H](NC(=O)C1(N2C=NN=N2)CCCCC1)C1=NN=N[N-]1	REAL300020166634	0	44	-1.0	-41.88	361.24	3.92	-37.96
CSCC[C@H](NC(=O)C1(N2C=NN=N2)CCCCC1)C1=N[N-]N=N1	REAL300020166634	1	44	-1.0	-41.85	361.19	3.90	-37.95
CSCC[C@H](NC(=O)C1(C2=CC=CC=C2Cl)CCC1)C1=N[N-]N=N1	REAL300020166635	0	43	-1.0	-50.77	376.40	6.67	-44.10
CSCC[C@H](NC(=O)C1(C2=CC=CC=C2Cl)CCC1)C1=NN=N[N-]1	REAL300020166635	1	43	-1.0	-50.75	376.45	6.68	-44.07
CSCC[C@H](NC(=O)C1=NC=CC=C1SC)C1=NN=N[N-]1	REAL300020166636	0	36	-1.0	-50.45	329.67	3.37	-47.08
CSCC[C@H](NC(=O)C1=NC=CC=C1SC)C1=N[N-]N=N1	REAL300020166636	1	36	-1.0	-50.48	329.61	3.35	-47.13
CSCC[C@H](NC(=O)C1=NSC=C1Br)C1=NN=N[N-]1	REAL300020166637	0	29	-1.0	-46.06	301.49	2.20	-43.86
CSCC[C@H](NC(=O)C1=NSC=C1Br)C1=N[N-]N=N1	REAL300020166637	1	29	-1.0	-46.05	301.43	2.19	-43.86
CSCC[C@H](NC(=O)C(CC1CCCO1)C(F)(F)F)C1=N[N-]N=N1	REAL300020166638	0	43	-1.0	-43.16	370.68	3.92	-39.24
CSCC[C@H](NC(=O)C(CC1CCCO1)C(F)(F)F)C1=NN=N[N-]1	REAL300020166638	1	43	-1.0	-43.18	370.74	3.93	-39.25
CSCC[C@H](NC(=O)C1(C(=O)OC(C)(C)C)CCCCC1)C1=N[N-]N=N1	REAL300020166639	0	54	-1.0	-44.24	422.71	6.93	-37.31
CSCC[C@H](NC(=O)C1(C(=O)OC(C)(C)C)CCCCC1)C1=NN=N[N-]1	REAL300020166639	1	54	-1.0	-44.27	422.77	6.95	-37.32
CCC1=NC=CN1C(C)CC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020166640	0	45	-1.0	-45.09	380.49	5.25	-39.84
CCC1=NC=CN1C(C)CC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020166640	1	45	-1.0	-45.11	380.54	5.26	-39.85
CCC1=[NH+]C=CN1C(C)CC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020166640	1	46	0.0	-55.75	383.68	5.71	-50.04
CCC1=[NH+]C=CN1C(C)CC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020166640	1	46	0.0	-55.74	383.74	5.73	-50.01
CCCOC1=CC=NC(CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=N1	REAL300020166641	0	44	-1.0	-49.83	387.81	2.00	-47.83
CCCOC1=CC=NC(CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=N1	REAL300020166641	1	44	-1.0	-49.79	387.87	2.01	-47.78
CSCC[C@H](NC(=O)[C@H](CO)NC(=O)C1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL300020166642	0	44	-1.0	-45.37	393.37	0.19	-45.18
CSCC[C@H](NC(=O)[C@H](CO)NC(=O)C1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL300020166642	1	44	-1.0	-45.33	393.43	0.21	-45.12
CSCC[C@H](NC(=O)[C@H](CO)NC(=O)CC1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL300020166643	0	47	-1.0	-46.78	418.00	0.86	-45.92
CSCC[C@H](NC(=O)[C@H](CO)NC(=O)CC1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL300020166643	1	47	-1.0	-46.77	418.06	0.88	-45.89
CSCC[C@H](NC(=O)[C@H](CO)NC(=O)C1=CC=CC(F)=N1)C1=NN=N[N-]1	REAL300020166644	0	43	-1.0	-52.97	390.66	-1.63	-54.60
CSCC[C@H](NC(=O)[C@H](CO)NC(=O)C1=CC=CC(F)=N1)C1=N[N-]N=N1	REAL300020166644	1	43	-1.0	-52.95	390.61	-1.64	-54.59
CSCC[C@H](NC(=O)C1=C2C=CC(Cl)=CN2C=N1)C1=NN=N[N-]1	REAL300020166645	0	36	-1.0	-50.54	342.56	5.89	-44.65
CSCC[C@H](NC(=O)C1=C2C=CC(Cl)=CN2C=N1)C1=N[N-]N=N1	REAL300020166645	1	36	-1.0	-50.49	342.51	5.88	-44.61
CSCC[C@H](NC(=O)CC1=CN2CCCCC2=N1)C1=N[N-]N=N1	REAL300020166646	0	43	-1.0	-53.99	365.16	5.06	-48.93
CSCC[C@H](NC(=O)CC1=CN2CCCCC2=N1)C1=NN=N[N-]1	REAL300020166646	1	43	-1.0	-53.97	365.22	5.08	-48.89
CSCC[C@H](NC(=O)C1=CC=CC(SC)=N1)C1=NN=N[N-]1	REAL300020166647	0	36	-1.0	-45.45	338.29	3.55	-41.90
CSCC[C@H](NC(=O)C1=CC=CC(SC)=N1)C1=N[N-]N=N1	REAL300020166647	1	36	-1.0	-45.43	338.23	3.53	-41.90
CCC(CC)(COCC1=CC=CC=C1)C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020166648	0	55	-1.0	-45.72	445.81	7.22	-38.50
CCC(CC)(COCC1=CC=CC=C1)C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020166648	1	55	-1.0	-45.73	445.87	7.23	-38.50
CSCC[C@H](NC(=O)C(C)(C)CNC(C)=O)C1=N[N-]N=N1	REAL300020166649	0	42	-1.0	-55.29	355.97	1.57	-53.72
CSCC[C@H](NC(=O)C(C)(C)CNC(C)=O)C1=NN=N[N-]1	REAL300020166649	1	42	-1.0	-55.30	356.02	1.59	-53.71
CSCC[C@H](NC(=O)CC1(CN2C=NN=N2)CCCCC1)C1=NN=N[N-]1	REAL300020166650	0	50	-1.0	-41.45	394.78	5.67	-35.78
CSCC[C@H](NC(=O)CC1(CN2C=NN=N2)CCCCC1)C1=N[N-]N=N1	REAL300020166650	1	50	-1.0	-41.46	394.72	5.65	-35.81
CSCC[C@H](NC(=O)CC1=CC=C(Br)C=C1C#N)C1=N[N-]N=N1	REAL300020166651	0	37	-1.0	-53.67	362.21	5.60	-48.07
CSCC[C@H](NC(=O)CC1=CC=C(Br)C=C1C#N)C1=NN=N[N-]1	REAL300020166651	1	37	-1.0	-53.71	362.27	5.62	-48.09
CSCC[C@H](NC(=O)C1=CN=C(C2=CC=CC(Cl)=C2)S1)C1=NN=N[N-]1	REAL300020166652	0	39	-1.0	-44.77	381.11	5.53	-39.24
CSCC[C@H](NC(=O)C1=CN=C(C2=CC=CC(Cl)=C2)S1)C1=N[N-]N=N1	REAL300020166652	1	39	-1.0	-44.75	381.05	5.51	-39.24
CSCC[C@H](NC(=O)C1=CN=C(C2=C(F)C=CC=C2F)S1)C1=NN=N[N-]1	REAL300020166653	0	39	-1.0	-50.02	372.56	5.26	-44.76
CSCC[C@H](NC(=O)C1=CN=C(C2=C(F)C=CC=C2F)S1)C1=N[N-]N=N1	REAL300020166653	1	39	-1.0	-50.03	372.50	5.24	-44.79
CSCC[C@H](NC(=O)C(C)C1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL300020166654	0	39	-1.0	-46.90	354.80	5.83	-41.07
CSCC[C@H](NC(=O)C(C)C1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL300020166654	1	39	-1.0	-46.91	354.86	5.85	-41.06
CSCC[C@H](NC(=O)C1CC1C1CCCC1)C1=N[N-]N=N1	REAL300020166655	0	43	-1.0	-45.90	358.46	5.81	-40.09
CSCC[C@H](NC(=O)C1CC1C1CCCC1)C1=NN=N[N-]1	REAL300020166655	1	43	-1.0	-45.88	358.51	5.83	-40.05
COC(CC(=O)N[C@@H](CCSC)C1=N[N-]N=N1)C(F)(F)F	REAL300020166656	0	36	-1.0	-42.34	330.14	2.65	-39.69
COC(CC(=O)N[C@@H](CCSC)C1=NN=N[N-]1)C(F)(F)F	REAL300020166656	1	36	-1.0	-42.36	330.20	2.66	-39.70
CSCC[C@H](NC(=O)CC1(CSC)CC1)C1=N[N-]N=N1	REAL300020166657	0	40	-1.0	-46.13	354.26	4.90	-41.23
CSCC[C@H](NC(=O)CC1(CSC)CC1)C1=NN=N[N-]1	REAL300020166657	1	40	-1.0	-46.10	354.32	4.92	-41.18
CSCC[C@H](NC(=O)CC1C2CC3CC(C2)CC1C3)C1=N[N-]N=N1	REAL300020166658	0	50	-1.0	-45.95	375.95	6.53	-39.42
CSCC[C@H](NC(=O)CC1C2CC3CC(C2)CC1C3)C1=NN=N[N-]1	REAL300020166658	1	50	-1.0	-45.98	376.01	6.54	-39.44
CSCC[C@H](NC(=O)C12CC3CC(C(=O)N1)C2C3)C1=N[N-]N=N1	REAL300020166659	0	42	-1.0	-44.02	348.01	1.74	-42.28
CSCC[C@H](NC(=O)C12CC3CC(C(=O)N1)C2C3)C1=NN=N[N-]1	REAL300020166659	1	42	-1.0	-44.04	348.06	1.75	-42.29
CSCC[C@H](NC(=O)[C@@H]1C[C@H]1NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300020166660	0	47	-1.0	-50.78	398.96	2.28	-48.50
CSCC[C@H](NC(=O)[C@@H]1C[C@H]1NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300020166660	1	47	-1.0	-50.78	399.02	2.30	-48.48
CSCC[C@H](NC(=O)CN1C=NC(C(N)=O)=N1)C1=NN=N[N-]1	REAL300020166661	0	36	-1.0	-58.81	335.05	-0.39	-59.20
CSCC[C@H](NC(=O)CN1C=NC(C(N)=O)=N1)C1=N[N-]N=N1	REAL300020166661	1	36	-1.0	-58.83	334.99	-0.41	-59.24
CSCC[C@H](NC(=O)C1=CC=C(C2=CC=CC(C)=C2)N1C)C1=N[N-]N=N1	REAL300020166662	0	47	-1.0	-47.12	396.75	7.38	-39.74
CSCC[C@H](NC(=O)C1=CC=C(C2=CC=CC(C)=C2)N1C)C1=NN=N[N-]1	REAL300020166662	1	47	-1.0	-47.16	396.81	7.40	-39.76
CSCC[C@H](NC(=O)[C@@H]1CCO[C@H]1C1=CC=NC=C1)C1=N[N-]N=N1	REAL300020166663	0	43	-1.0	-45.93	370.51	3.18	-42.75
CSCC[C@H](NC(=O)[C@@H]1CCO[C@H]1C1=CC=NC=C1)C1=NN=N[N-]1	REAL300020166663	1	43	-1.0	-45.96	370.57	3.20	-42.76
CSCC[C@H](NC(=O)C1=CC=CC(N2C=CNC2=O)=C1)C1=N[N-]N=N1	REAL300020166664	0	41	-1.0	-50.69	360.78	4.23	-46.46
CSCC[C@H](NC(=O)C1=CC=CC(N2C=CNC2=O)=C1)C1=NN=N[N-]1	REAL300020166664	1	41	-1.0	-50.71	360.84	4.24	-46.47
CSCC[C@H](NC(=O)C1=CC=C(N2C=CNC2=O)C=C1)C1=N[N-]N=N1	REAL300020166665	0	41	-1.0	-57.19	360.61	4.25	-52.94
CSCC[C@H](NC(=O)C1=CC=C(N2C=CNC2=O)C=C1)C1=NN=N[N-]1	REAL300020166665	1	41	-1.0	-57.20	360.67	4.26	-52.94
CSCC[C@H](NC(=O)CC(F)(F)CNC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300020166666	0	49	-1.0	-51.71	420.16	2.56	-49.15
CSCC[C@H](NC(=O)CC(F)(F)CNC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300020166666	1	49	-1.0	-51.71	420.21	2.58	-49.13
CSCC[C@H](NC(=O)CC1=CC=C2OC(F)(F)OC2=C1)C1=N[N-]N=N1	REAL300020166667	0	39	-1.0	-46.22	361.77	3.86	-42.36
CSCC[C@H](NC(=O)CC1=CC=C2OC(F)(F)OC2=C1)C1=NN=N[N-]1	REAL300020166667	1	39	-1.0	-46.22	361.82	3.88	-42.34
CSCC[C@H](NC(=O)[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300020166668	0	51	-1.0	-51.01	415.31	6.32	-44.69
CSCC[C@H](NC(=O)[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300020166668	1	51	-1.0	-51.04	415.37	6.34	-44.70
CSCC[C@H](NC(=O)C1=NN(C(C)(C)C)N=N1)C1=NN=N[N-]1	REAL300020166669	0	40	-1.0	-46.81	354.80	1.87	-44.94
CSCC[C@H](NC(=O)C1=NN(C(C)(C)C)N=N1)C1=N[N-]N=N1	REAL300020166669	1	40	-1.0	-46.83	354.74	1.86	-44.97
CSCC[C@H](NC(=O)CC12CCCCC1C2(F)F)C1=N[N-]N=N1	REAL300020166670	0	43	-1.0	-42.03	358.88	5.52	-36.51
CSCC[C@H](NC(=O)CC12CCCCC1C2(F)F)C1=NN=N[N-]1	REAL300020166670	1	43	-1.0	-42.02	358.93	5.53	-36.49
CSCC[C@H](NC(=O)C1=CC(Br)=CC(C)=C1C)C1=N[N-]N=N1	REAL300020166671	0	39	-1.0	-43.68	351.74	5.92	-37.76
CSCC[C@H](NC(=O)C1=CC(Br)=CC(C)=C1C)C1=NN=N[N-]1	REAL300020166671	1	39	-1.0	-43.66	351.79	5.93	-37.73
CSCC[C@H](NC(=O)[C@H]1CC[C@H](C2CCC2)CC1)C1=N[N-]N=N1	REAL300020166672	0	49	-1.0	-46.06	391.09	6.93	-39.13
CSCC[C@H](NC(=O)[C@H]1CC[C@H](C2CCC2)CC1)C1=NN=N[N-]1	REAL300020166672	1	49	-1.0	-46.08	391.15	6.94	-39.14
COC1=CC=C([C@@H]2C[C@H]2CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020166673	0	47	-1.0	-49.26	399.99	6.19	-43.07
COC1=CC=C([C@@H]2C[C@H]2CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020166673	1	47	-1.0	-49.25	400.04	6.21	-43.04
CSCC[C@H](NC(=O)CC1=CC=C(OCC2=CC=CC=C2)C=C1)C1=N[N-]N=N1	REAL300020166674	0	50	-1.0	-49.59	433.42	8.04	-41.55
CSCC[C@H](NC(=O)CC1=CC=C(OCC2=CC=CC=C2)C=C1)C1=NN=N[N-]1	REAL300020166674	1	50	-1.0	-49.61	433.48	8.06	-41.55
CSCC[C@H](NC(=O)C1=C2C(Cl)=CC=CN2N=C1)C1=NN=N[N-]1	REAL300020166675	0	36	-1.0	-52.47	335.10	4.34	-48.13
CSCC[C@H](NC(=O)C1=C2C(Cl)=CC=CN2N=C1)C1=N[N-]N=N1	REAL300020166675	1	36	-1.0	-52.44	335.05	4.33	-48.11
CSCC[C@H](NC(=O)C(CCC(C)C)NC(C)=O)C1=N[N-]N=N1	REAL300020166676	0	48	-1.0	-50.97	395.45	4.30	-46.67
CSCC[C@H](NC(=O)C(CCC(C)C)NC(C)=O)C1=NN=N[N-]1	REAL300020166676	1	48	-1.0	-50.98	395.51	4.32	-46.66
COC1=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CC=C1C#N	REAL300020166677	0	38	-1.0	-45.95	347.15	3.81	-42.14
COC1=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CC=C1C#N	REAL300020166677	1	38	-1.0	-45.96	347.21	3.82	-42.14
CSCC[C@H](NC(=O)C1=CC=C(Br)C(F)=C1C)C1=N[N-]N=N1	REAL300020166678	0	36	-1.0	-42.65	339.32	5.39	-37.26
CSCC[C@H](NC(=O)C1=CC=C(Br)C(F)=C1C)C1=NN=N[N-]1	REAL300020166678	1	36	-1.0	-42.65	339.38	5.41	-37.24
CSCC[C@H](NC(=O)C1=C2C=C(C)C=CN2C=N1)C1=NN=N[N-]1	REAL300020166679	0	39	-1.0	-56.65	347.29	6.05	-50.60
CSCC[C@H](NC(=O)C1=C2C=C(C)C=CN2C=N1)C1=N[N-]N=N1	REAL300020166679	1	39	-1.0	-56.64	347.23	6.03	-50.61
CSCC[C@H](NC(=O)C1=CC2=NC(Cl)=CC=C2S1)C1=NN=N[N-]1	REAL300020166680	0	35	-1.0	-47.45	348.45	4.04	-43.41
CSCC[C@H](NC(=O)C1=CC2=NC(Cl)=CC=C2S1)C1=N[N-]N=N1	REAL300020166680	1	35	-1.0	-47.46	348.40	4.02	-43.44
CSCC[C@H](NC(=O)C1=CC=C(F)C2=CC=NC=C12)C1=NN=N[N-]1	REAL300020166681	0	38	-1.0	-46.66	339.79	4.60	-42.06
CSCC[C@H](NC(=O)C1=CC=C(F)C2=CC=NC=C12)C1=N[N-]N=N1	REAL300020166681	1	38	-1.0	-46.68	339.73	4.59	-42.09
CSCC[C@H](NC(=O)C1=C(Cl)N=C2C=C(Cl)C=CN21)C1=NN=N[N-]1	REAL300020166682	0	36	-1.0	-48.43	361.63	5.28	-43.15
CSCC[C@H](NC(=O)C1=C(Cl)N=C2C=C(Cl)C=CN21)C1=N[N-]N=N1	REAL300020166682	1	36	-1.0	-48.46	361.57	5.26	-43.20
CSCC[C@H](NC(=O)CCC1=CSC=C1Br)C1=N[N-]N=N1	REAL300020166683	0	36	-1.0	-43.86	352.92	5.05	-38.81
CSCC[C@H](NC(=O)CCC1=CSC=C1Br)C1=NN=N[N-]1	REAL300020166683	1	36	-1.0	-43.88	352.98	5.06	-38.82
CSCC[C@H](NC(=O)CC(N1C=CC=N1)C(F)(F)F)C1=NN=N[N-]1	REAL300020166684	0	39	-1.0	-48.62	354.35	3.90	-44.72
CSCC[C@H](NC(=O)CC(N1C=CC=N1)C(F)(F)F)C1=N[N-]N=N1	REAL300020166684	1	39	-1.0	-48.59	354.29	3.89	-44.70
CSCC[C@H](NC(=O)CC1(C#N)CCCCC1)C1=N[N-]N=N1	REAL300020166685	0	43	-1.0	-50.40	354.86	4.74	-45.66
CSCC[C@H](NC(=O)CC1(C#N)CCCCC1)C1=NN=N[N-]1	REAL300020166685	1	43	-1.0	-50.39	354.92	4.76	-45.63
CSCC[C@H](NC(=O)C1=C(Cl)N=C2C=CSC2=C1)C1=NN=N[N-]1	REAL300020166686	0	35	-1.0	-47.74	341.90	4.00	-43.74
CSCC[C@H](NC(=O)C1=C(Cl)N=C2C=CSC2=C1)C1=N[N-]N=N1	REAL300020166686	1	35	-1.0	-47.74	341.85	3.98	-43.76
CSCC[C@H](NC(=O)C1CCC(=O)N(C2=CC=CC(F)=C2)C1)C1=N[N-]N=N1	REAL300020166687	0	47	-1.0	-48.66	406.88	5.85	-42.81
CSCC[C@H](NC(=O)C1CCC(=O)N(C2=CC=CC(F)=C2)C1)C1=NN=N[N-]1	REAL300020166687	1	47	-1.0	-48.62	406.94	5.87	-42.75
CSCC[C@H](NC(=O)C1=CN=NN1C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020166688	0	39	-1.0	-45.24	348.80	3.79	-41.45
CSCC[C@H](NC(=O)C1=CN=NN1C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020166688	1	39	-1.0	-45.25	348.77	3.78	-41.47
CSCC[C@H](NC(=O)C(C)(C)CC(F)(F)F)C1=N[N-]N=N1	REAL300020166689	0	38	-1.0	-42.09	328.38	3.88	-38.21
CSCC[C@H](NC(=O)C(C)(C)CC(F)(F)F)C1=NN=N[N-]1	REAL300020166689	1	38	-1.0	-42.10	328.44	3.89	-38.21
CSCC[C@H](NC(=O)C1COCC1C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020166690	0	44	-1.0	-47.92	373.17	4.59	-43.33
CSCC[C@H](NC(=O)C1COCC1C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020166690	1	44	-1.0	-47.95	373.23	4.60	-43.35
CSCC[C@H](NC(=O)C1=C(C2CC2)C=NN1C)C1=NN=N[N-]1	REAL300020166691	0	40	-1.0	-44.16	354.47	3.86	-40.30
CSCC[C@H](NC(=O)C1=C(C2CC2)C=NN1C)C1=N[N-]N=N1	REAL300020166691	1	40	-1.0	-44.19	354.41	3.84	-40.35
CSCC[C@H](NC(=O)C12CC1COC2(C)C)C1=N[N-]N=N1	REAL300020166692	0	41	-1.0	-46.77	339.86	3.13	-43.64
CSCC[C@H](NC(=O)C12CC1COC2(C)C)C1=NN=N[N-]1	REAL300020166692	1	41	-1.0	-46.80	339.92	3.15	-43.65
COC1=NOC(CCC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020166693	0	39	-1.0	-46.46	351.48	1.14	-45.32
COC1=NOC(CCC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020166693	1	39	-1.0	-46.46	351.54	1.16	-45.30
CSCC[C@H](NC(=O)C1=C2C=CNC2=NC=N1)C1=NN=N[N-]1	REAL300020166694	0	35	-1.0	-48.79	319.20	3.24	-45.55
CSCC[C@H](NC(=O)C1=C2C=CNC2=NC=N1)C1=N[N-]N=N1	REAL300020166694	1	35	-1.0	-48.86	319.14	3.23	-45.63
CSCC[C@H](NC(=O)C1=C(Cl)C=CC=C1Br)C1=N[N-]N=N1	REAL300020166695	0	33	-1.0	-48.12	337.08	4.89	-43.23
CSCC[C@H](NC(=O)C1=C(Cl)C=CC=C1Br)C1=NN=N[N-]1	REAL300020166695	1	33	-1.0	-48.13	337.14	4.91	-43.22
CSCC[C@H](NC(=O)C=CC1=CN(C)N=N1)C1=N[N-]N=N1	REAL300020166696	0	36	-1.0	-51.24	332.79	1.83	-49.41
CSCC[C@H](NC(=O)C=CC1=CN(C)N=N1)C1=NN=N[N-]1	REAL300020166696	1	36	-1.0	-51.24	332.85	1.85	-49.39
CSCC[C@H](NC(=O)C1(C(=O)OC(C)(C)C)CC=CC1)C1=N[N-]N=N1	REAL300020166697	0	49	-1.0	-48.18	402.78	6.33	-41.85
CSCC[C@H](NC(=O)C1(C(=O)OC(C)(C)C)CC=CC1)C1=NN=N[N-]1	REAL300020166697	1	49	-1.0	-48.12	402.84	6.34	-41.78
CSCC[C@H](NC(=O)C(C(=O)OC(C)(C)C)C(C)(C)C)C1=N[N-]N=N1	REAL300020166698	0	53	-1.0	-48.84	417.64	7.16	-41.68
CSCC[C@H](NC(=O)C(C(=O)OC(C)(C)C)C(C)(C)C)C1=NN=N[N-]1	REAL300020166698	1	53	-1.0	-48.81	417.70	7.18	-41.63
CSCC[C@H](NC(=O)C(C(=O)OC(C)(C)C)C1CC1)C1=N[N-]N=N1	REAL300020166699	0	48	-1.0	-45.95	403.30	5.85	-40.10
CSCC[C@H](NC(=O)C(C(=O)OC(C)(C)C)C1CC1)C1=NN=N[N-]1	REAL300020166699	1	48	-1.0	-45.96	403.36	5.87	-40.09
CSCC[C@H](NC(=O)C1(C(=O)OC(C)(C)C)CC2CCC1C2)C1=N[N-]N=N1	REAL300020166700	0	55	-1.0	-47.00	432.12	7.10	-39.90
CSCC[C@H](NC(=O)C1(C(=O)OC(C)(C)C)CC2CCC1C2)C1=NN=N[N-]1	REAL300020166700	1	55	-1.0	-46.98	432.18	7.11	-39.87
CSCC[C@H](NC(=O)C1CCC(C(=O)OC(C)(C)C)CC1)C1=N[N-]N=N1	REAL300020166701	0	54	-1.0	-57.17	426.36	6.86	-50.31
CSCC[C@H](NC(=O)C1CCC(C(=O)OC(C)(C)C)CC1)C1=NN=N[N-]1	REAL300020166701	1	54	-1.0	-57.17	426.42	6.87	-50.30
C=C(C)CC(NC(C)=O)C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020166702	0	43	-1.0	-45.80	370.35	2.21	-43.59
C=C(C)CC(NC(C)=O)C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020166702	1	43	-1.0	-45.78	370.41	2.22	-43.56
COC1(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)CCC(F)(F)CC1	REAL300020166703	0	43	-1.0	-40.45	353.70	3.25	-37.20
COC1(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)CCC(F)(F)CC1	REAL300020166703	1	43	-1.0	-40.45	353.77	3.26	-37.19
CSCC[C@H](NC(=O)C1=C(C2=CC=CC=C2)N(C)C=C1)C1=NN=N[N-]1	REAL300020166704	0	44	-1.0	-51.29	377.58	6.98	-44.31
CSCC[C@H](NC(=O)C1=C(C2=CC=CC=C2)N(C)C=C1)C1=N[N-]N=N1	REAL300020166704	1	44	-1.0	-51.31	377.52	6.97	-44.34
CCCCCC1=NNC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020166705	0	45	-1.0	-43.68	387.23	4.22	-39.46
CCCCCC1=NNC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020166705	1	45	-1.0	-43.74	387.28	4.23	-39.51
CSCC[C@H](NC(=O)[C@@H](NCC(F)(F)F)C(C)C)C1=N[N-]N=N1	REAL300020166706	0	43	-1.0	-49.52	371.91	2.43	-47.09
CSCC[C@H](NC(=O)[C@@H](NCC(F)(F)F)C(C)C)C1=NN=N[N-]1	REAL300020166706	1	43	-1.0	-49.54	371.97	2.44	-47.10
CNC1=NC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CS1	REAL300020166707	0	34	-1.0	-46.89	322.50	1.16	-45.73
CNC1=NC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CS1	REAL300020166707	1	34	-1.0	-46.87	322.45	1.15	-45.72
CSCC[C@H](NC(=O)C1=C(C)N(C2CCOCC2)C(C)=C1)C1=N[N-]N=N1	REAL300020166708	0	51	-1.0	-48.80	407.14	5.26	-43.54
CSCC[C@H](NC(=O)C1=C(C)N(C2CCOCC2)C(C)=C1)C1=NN=N[N-]1	REAL300020166708	1	51	-1.0	-48.82	407.20	5.28	-43.54
CSCC[C@H](NC(=O)C1=CC(C2=CC=C(F)C=C2)=NO1)C1=NN=N[N-]1	REAL300020166709	0	39	-1.0	-41.65	362.66	5.15	-36.50
CSCC[C@H](NC(=O)C1=CC(C2=CC=C(F)C=C2)=NO1)C1=N[N-]N=N1	REAL300020166709	1	39	-1.0	-41.63	362.60	5.14	-36.49
CSCC[C@H](NC(=O)C1=CC(C)=NC(NCC(F)(F)F)=C1)C1=N[N-]N=N1	REAL300020166710	0	43	-1.0	-44.69	390.14	3.84	-40.85
CSCC[C@H](NC(=O)C1=CC(C)=NC(NCC(F)(F)F)=C1)C1=NN=N[N-]1	REAL300020166710	1	43	-1.0	-44.66	390.20	3.85	-40.81
CSCC[C@H](NC(=O)C1=CC([N+](=O)[O-])=CC(C)=N1)C1=N[N-]N=N1	REAL300020166711	0	37	-1.0	-46.41	344.89	3.64	-42.77
CSCC[C@H](NC(=O)C1=CC([N+](=O)[O-])=CC(C)=N1)C1=NN=N[N-]1	REAL300020166711	1	37	-1.0	-46.45	344.95	3.65	-42.80
CSCC[C@H](NC(=O)C1CC(C)(C)CC(C)(C)C1)C1=N[N-]N=N1	REAL300020166712	0	51	-1.0	-46.17	394.22	6.20	-39.97
CSCC[C@H](NC(=O)C1CC(C)(C)CC(C)(C)C1)C1=NN=N[N-]1	REAL300020166712	1	51	-1.0	-46.19	394.28	6.22	-39.97
CSCC[C@H](NC(=O)CN1C=C(C2CC2)C=N1)C1=NN=N[N-]1	REAL300020166713	0	40	-1.0	-50.33	353.74	4.34	-45.99
CSCC[C@H](NC(=O)CN1C=C(C2CC2)C=N1)C1=N[N-]N=N1	REAL300020166713	1	40	-1.0	-50.34	353.68	4.33	-46.01
CSCC[C@H](NC(=O)C1=CC=CC2=C1COCC2)C1=N[N-]N=N1	REAL300020166714	0	41	-1.0	-49.07	345.63	4.21	-44.86
CSCC[C@H](NC(=O)C1=CC=CC2=C1COCC2)C1=NN=N[N-]1	REAL300020166714	1	41	-1.0	-49.14	345.69	4.23	-44.91
CSCC[C@H](NC(=O)C1CC2(CC2(F)F)C1)C1=N[N-]N=N1	REAL300020166715	0	37	-1.0	-45.19	334.38	4.60	-40.59
CSCC[C@H](NC(=O)C1CC2(CC2(F)F)C1)C1=NN=N[N-]1	REAL300020166715	1	37	-1.0	-45.24	334.44	4.62	-40.62
CSCC[C@H](NC(=O)C1=C(C)C=C(F)C=C1C)C1=N[N-]N=N1	REAL300020166716	0	39	-1.0	-44.36	346.66	5.09	-39.27
CSCC[C@H](NC(=O)C1=C(C)C=C(F)C=C1C)C1=NN=N[N-]1	REAL300020166716	1	39	-1.0	-44.37	346.71	5.10	-39.27
CSCC[C@H](NC(=O)C1=C(C2CCC2)C=NN1C)C1=NN=N[N-]1	REAL300020166717	0	43	-1.0	-44.12	371.09	4.36	-39.76
CSCC[C@H](NC(=O)C1=C(C2CCC2)C=NN1C)C1=N[N-]N=N1	REAL300020166717	1	43	-1.0	-44.12	371.03	4.33	-39.79
CSCC[C@H](NC(=O)C1(N2C=NN=N2)CC1)C1=NN=N[N-]1	REAL300020166718	0	35	-1.0	-46.64	324.05	2.32	-44.32
CSCC[C@H](NC(=O)C1(N2C=NN=N2)CC1)C1=N[N-]N=N1	REAL300020166718	1	35	-1.0	-46.63	324.00	2.30	-44.33
CSCC[C@H](NC(=O)[C@H](C)N(C)C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300020166719	0	49	-1.0	-44.57	400.47	4.08	-40.49
CSCC[C@H](NC(=O)[C@H](C)N(C)C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300020166719	1	49	-1.0	-44.54	400.53	4.10	-40.44
COC(=O)C1=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C(C)O1	REAL300020166720	0	39	-1.0	-44.25	355.52	3.65	-40.60
COC(=O)C1=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C(C)O1	REAL300020166720	1	39	-1.0	-44.25	355.58	3.66	-40.59
CSCC[C@H](NC(=O)C(CO)C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020166721	0	40	-1.0	-48.06	346.86	2.44	-45.62
CSCC[C@H](NC(=O)C(CO)C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020166721	1	40	-1.0	-48.07	346.92	2.45	-45.62
CSCC[C@H](NC(=O)C1CC[N@@H+]1C1CCCC1)C1=NN=N[N-]1	REAL300020166722	0	46	0.0	-55.43	363.78	5.01	-50.42
CSCC[C@H](NC(=O)C1CC[N@H+]1C1CCCC1)C1=NN=N[N-]1	REAL300020166722	1	46	0.0	-57.72	363.06	4.96	-52.76
CSCC[C@H](NC(=O)C1CCN1C1CCCC1)C1=N[N-]N=N1	REAL300020166722	1	45	-1.0	-48.47	366.46	2.56	-45.91
CSCC[C@H](NC(=O)C1CCN1C1CCCC1)C1=NN=N[N-]1	REAL300020166722	1	45	-1.0	-48.45	366.52	2.57	-45.88
CSCC[C@H](NC(=O)C1=CC(Cl)=C(Br)C=N1)C1=NN=N[N-]1	REAL300020166723	0	32	-1.0	-41.75	331.19	3.43	-38.32
CSCC[C@H](NC(=O)C1=CC(Cl)=C(Br)C=N1)C1=N[N-]N=N1	REAL300020166723	1	32	-1.0	-41.73	331.13	3.41	-38.32
CSCC[C@H](NC(=O)C1=C2N=C(CO)NC2=CC=C1)C1=N[N-]N=N1	REAL300020166724	0	40	-1.0	-58.60	355.18	0.49	-58.11
CSCC[C@H](NC(=O)C1=C2N=C(CO)NC2=CC=C1)C1=NN=N[N-]1	REAL300020166724	1	40	-1.0	-58.62	355.23	0.50	-58.12
CCC1=CNC(CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=N1	REAL300020166725	0	39	-1.0	-51.85	344.08	2.83	-49.02
CCC1=CNC(CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=N1	REAL300020166725	1	39	-1.0	-51.94	344.14	2.84	-49.10
CSCC[C@H](NC(=O)CC1=CN=CC2=CC=CC=C21)C1=N[N-]N=N1	REAL300020166726	0	41	-1.0	-49.70	360.06	5.11	-44.59
CSCC[C@H](NC(=O)CC1=CN=CC2=CC=CC=C21)C1=NN=N[N-]1	REAL300020166726	1	41	-1.0	-49.71	360.12	5.12	-44.59
CSCC[C@H](NC(=O)C=C(C)CN1CCOCC1)C1=N[N-]N=N1	REAL300020166727	0	46	-1.0	-45.52	379.75	1.51	-44.01
CSCC[C@H](NC(=O)C=C(C)CN1CCOCC1)C1=NN=N[N-]1	REAL300020166727	1	46	-1.0	-45.50	379.80	1.52	-43.98
CSCC[C@H](NC(=O)C1=NN=C(C2=CC=CO2)O1)C1=N[N-]N=N1	REAL300020166728	0	35	-1.0	-46.70	334.10	-1.78	-48.48
CSCC[C@H](NC(=O)C1=NN=C(C2=CC=CO2)O1)C1=NN=N[N-]1	REAL300020166728	1	35	-1.0	-46.69	334.16	-1.77	-48.46
CSCC[C@H](NC(=O)C1=CC=CC2=C1OC(F)(F)O2)C1=N[N-]N=N1	REAL300020166729	0	36	-1.0	-53.27	336.45	3.79	-49.48
CSCC[C@H](NC(=O)C1=CC=CC2=C1OC(F)(F)O2)C1=NN=N[N-]1	REAL300020166729	1	36	-1.0	-53.27	336.51	3.81	-49.46
CSCC[C@H](NC(=O)C1=CC(N(C)C)=CC(C(F)(F)F)=C1)C1=N[N-]N=N1	REAL300020166730	0	44	-1.0	-44.62	387.63	5.49	-39.13
CSCC[C@H](NC(=O)C1=CC(N(C)C)=CC(C(F)(F)F)=C1)C1=NN=N[N-]1	REAL300020166730	1	44	-1.0	-44.60	387.69	5.50	-39.10
CSCC[C@H](NC(=O)C1=CC=CC(SC(F)(F)F)=C1)C1=N[N-]N=N1	REAL300020166731	0	37	-1.0	-44.70	353.90	5.56	-39.14
CSCC[C@H](NC(=O)C1=CC=CC(SC(F)(F)F)=C1)C1=NN=N[N-]1	REAL300020166731	1	37	-1.0	-44.71	353.95	5.58	-39.13
CSCC[C@H](NC(=O)C1=NN2C=CC=NC2=N1)C1=NN=N[N-]1	REAL300020166732	0	34	-1.0	-57.75	318.51	4.26	-53.49
CSCC[C@H](NC(=O)C1=NN2C=CC=NC2=N1)C1=N[N-]N=N1	REAL300020166732	1	34	-1.0	-57.75	318.45	4.25	-53.50
CSCC[C@H](NC(=O)C=C(C)C1=CC=CO1)C1=N[N-]N=N1	REAL300020166733	0	37	-1.0	-45.39	331.65	4.16	-41.23
CSCC[C@H](NC(=O)C=C(C)C1=CC=CO1)C1=NN=N[N-]1	REAL300020166733	1	37	-1.0	-45.39	331.71	4.17	-41.22
COC1=CC=CC=C1C(F)(F)C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020166734	0	40	-1.0	-45.34	359.06	4.27	-41.07
COC1=CC=CC=C1C(F)(F)C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020166734	1	40	-1.0	-45.29	359.01	4.26	-41.03
CSCC[C@H](NC(=O)C1=CC=C2NN=C(C)C2=C1)C1=N[N-]N=N1	REAL300020166735	0	39	-1.0	-47.31	345.99	3.38	-43.93
CSCC[C@H](NC(=O)C1=CC=C2NN=C(C)C2=C1)C1=NN=N[N-]1	REAL300020166735	1	39	-1.0	-47.33	346.05	3.40	-43.93
CSCC[C@H](NC(=O)C1=C(F)C=CC2=CC=NC=C21)C1=NN=N[N-]1	REAL300020166736	0	38	-1.0	-56.13	347.84	4.38	-51.75
CSCC[C@H](NC(=O)C1=C(F)C=CC2=CC=NC=C21)C1=N[N-]N=N1	REAL300020166736	1	38	-1.0	-56.14	347.79	4.36	-51.78
CSCC[C@H](NC(=O)C1=CC=C(N=NC(N)=O)C=C1)C1=N[N-]N=N1	REAL300020166737	0	39	-1.0	-49.57	358.66	-0.73	-50.30
CSCC[C@H](NC(=O)C1=CC=C(N=NC(N)=O)C=C1)C1=NN=N[N-]1	REAL300020166737	1	39	-1.0	-49.60	358.72	-0.72	-50.32
CSCC[C@H](NC(=O)C1=CNC(=S)N1C1CC1)C1=N[N-]N=N1	REAL300020166738	0	38	-1.0	-49.96	341.90	4.27	-45.69
CSCC[C@H](NC(=O)C1=CNC(=S)N1C1CC1)C1=NN=N[N-]1	REAL300020166738	1	38	-1.0	-50.02	341.96	4.29	-45.73
CSCC[C@H](NC(=O)C=CC1=CC=C(C2OCCO2)O1)C1=N[N-]N=N1	REAL300020166739	0	43	-1.0	-48.91	384.51	3.58	-45.33
CSCC[C@H](NC(=O)C=CC1=CC=C(C2OCCO2)O1)C1=NN=N[N-]1	REAL300020166739	1	43	-1.0	-48.90	384.56	3.60	-45.30
CSCC[C@H](NC(=O)C1=COC(C2=CC=CN=C2)=N1)C1=NN=N[N-]1	REAL300020166740	0	38	-1.0	-47.21	352.77	0.76	-46.45
CSCC[C@H](NC(=O)C1=COC(C2=CC=CN=C2)=N1)C1=N[N-]N=N1	REAL300020166740	1	38	-1.0	-47.19	352.71	0.75	-46.44
CSCC[C@H](NC(=O)CC1=CN=CC=C1C)C1=N[N-]N=N1	REAL300020166741	0	38	-1.0	-47.07	334.21	3.46	-43.61
CSCC[C@H](NC(=O)CC1=CN=CC=C1C)C1=NN=N[N-]1	REAL300020166741	1	38	-1.0	-47.06	334.26	3.48	-43.58
COCCCN1N=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=CC1=O	REAL300020166742	0	45	-1.0	-45.41	397.01	1.92	-43.49
COCCCN1N=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=CC1=O	REAL300020166742	1	45	-1.0	-45.44	397.07	1.94	-43.50
CSCC[C@H](NC(=O)C1=C2C=CSC2=NC=N1)C1=NN=N[N-]1	REAL300020166743	0	34	-1.0	-44.17	323.32	3.43	-40.74
CSCC[C@H](NC(=O)C1=C2C=CSC2=NC=N1)C1=N[N-]N=N1	REAL300020166743	1	34	-1.0	-44.15	323.26	3.41	-40.74
CSCC[C@H](NC(=O)[C@@H]1CCCC[C@@H]1N1CCCC1=O)C1=N[N-]N=N1	REAL300020166744	0	50	-1.0	-45.23	383.14	5.04	-40.19
CSCC[C@H](NC(=O)[C@@H]1CCCC[C@@H]1N1CCCC1=O)C1=NN=N[N-]1	REAL300020166744	1	50	-1.0	-45.22	383.20	5.05	-40.17
CSCC[C@H](NC(=O)C1=CC=NN1C(F)F)C1=NN=N[N-]1	REAL300020166745	0	33	-1.0	-47.39	304.27	2.45	-44.94
CSCC[C@H](NC(=O)C1=CC=NN1C(F)F)C1=N[N-]N=N1	REAL300020166745	1	33	-1.0	-47.41	304.21	2.43	-44.98
CSCC[C@H](NC(=O)C1=C(C2=NOC=C2)OC=N1)C1=NN=N[N-]1	REAL300020166746	0	35	-1.0	-55.91	327.02	0.29	-55.62
CSCC[C@H](NC(=O)C1=C(C2=NOC=C2)OC=N1)C1=N[N-]N=N1	REAL300020166746	1	35	-1.0	-55.91	326.96	0.27	-55.64
CSCC[C@H](NC(=O)C1(CC(=O)OC(C)(C)C)CCOCC1)C1=N[N-]N=N1	REAL300020166747	0	55	-1.0	-54.06	430.26	5.46	-48.60
CSCC[C@H](NC(=O)C1(CC(=O)OC(C)(C)C)CCOCC1)C1=NN=N[N-]1	REAL300020166747	1	55	-1.0	-54.07	430.32	5.47	-48.60
CSCC[C@H](NC(=O)C1=CC=C2C(=C1)C(C)(C)C(=O)N2C)C1=N[N-]N=N1	REAL300020166748	0	47	-1.0	-47.65	401.51	5.56	-42.09
CSCC[C@H](NC(=O)C1=CC=C2C(=C1)C(C)(C)C(=O)N2C)C1=NN=N[N-]1	REAL300020166748	1	47	-1.0	-47.65	401.56	5.57	-42.08
CSCC[C@H](NC(=O)C1=CC=CC=C1C(C)C)C1=N[N-]N=N1	REAL300020166749	0	42	-1.0	-46.63	349.79	5.96	-40.67
CSCC[C@H](NC(=O)C1=CC=CC=C1C(C)C)C1=NN=N[N-]1	REAL300020166749	1	42	-1.0	-46.60	349.84	5.98	-40.62
CSCC[C@H](NC(=O)CC(C)N1C=CC(C)=N1)C1=N[N-]N=N1	REAL300020166750	0	42	-1.0	-49.04	361.05	3.80	-45.24
CSCC[C@H](NC(=O)CC(C)N1C=CC(C)=N1)C1=NN=N[N-]1	REAL300020166750	1	42	-1.0	-49.07	361.11	3.81	-45.26
CSCC[C@H](NC(=O)CCCC1=CC=CN=C1)C1=N[N-]N=N1	REAL300020166751	0	41	-1.0	-50.02	359.88	4.57	-45.45
CSCC[C@H](NC(=O)CCCC1=CC=CN=C1)C1=NN=N[N-]1	REAL300020166751	1	41	-1.0	-49.99	359.94	4.58	-45.41
CSCC[C@H](NC(=O)C1=CC=C(CF)C=C1)C1=N[N-]N=N1	REAL300020166752	0	36	-1.0	-47.82	325.51	4.90	-42.92
CSCC[C@H](NC(=O)C1=CC=C(CF)C=C1)C1=NN=N[N-]1	REAL300020166752	1	36	-1.0	-47.85	325.57	4.91	-42.94
COC1=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CC=C1C(F)(F)F	REAL300020166753	0	40	-1.0	-44.44	364.42	4.47	-39.97
COC1=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CC=C1C(F)(F)F	REAL300020166753	1	40	-1.0	-44.41	364.47	4.49	-39.92
COC(C(=O)N[C@@H](CCSC)C1=N[N-]N=N1)C1CCOC1	REAL300020166754	0	41	-1.0	-46.73	336.38	1.92	-44.81
COC(C(=O)N[C@@H](CCSC)C1=NN=N[N-]1)C1CCOC1	REAL300020166754	1	41	-1.0	-46.72	336.44	1.94	-44.78
CSCC[C@H](NC(=O)CC1=NN(C(C)(C)C)N=N1)C1=N[N-]N=N1	REAL300020166755	0	43	-1.0	-52.14	375.52	2.34	-49.80
CSCC[C@H](NC(=O)CC1=NN(C(C)(C)C)N=N1)C1=NN=N[N-]1	REAL300020166755	1	43	-1.0	-52.12	375.58	2.35	-49.77
CSCC[C@H](NC(=O)C1=CC=C2COCCC2=C1)C1=N[N-]N=N1	REAL300020166756	0	41	-1.0	-47.68	351.26	4.17	-43.51
CSCC[C@H](NC(=O)C1=CC=C2COCCC2=C1)C1=NN=N[N-]1	REAL300020166756	1	41	-1.0	-47.68	351.32	4.19	-43.49
CSCC[C@H](NC(=O)CCC1CC1(F)F)C1=N[N-]N=N1	REAL300020166757	0	36	-1.0	-49.00	327.30	4.26	-44.74
CSCC[C@H](NC(=O)CCC1CC1(F)F)C1=NN=N[N-]1	REAL300020166757	1	36	-1.0	-49.01	327.36	4.27	-44.74
COCCCOCCC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020166758	0	43	-1.0	-44.99	372.84	1.69	-43.30
COCCCOCCC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020166758	1	43	-1.0	-45.02	372.90	1.70	-43.32
CNC1=CC=C(C(F)(F)F)C=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020166759	0	41	-1.0	-43.30	366.24	4.26	-39.04
CNC1=CC=C(C(F)(F)F)C=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020166759	1	41	-1.0	-43.31	366.29	4.27	-39.04
CSCC[C@H](NC(=O)C1=CC2=CC(Cl)=CC=C2S1)C1=N[N-]N=N1	REAL300020166760	0	36	-1.0	-44.36	353.33	6.00	-38.36
CSCC[C@H](NC(=O)C1=CC2=CC(Cl)=CC=C2S1)C1=NN=N[N-]1	REAL300020166760	1	36	-1.0	-44.34	353.38	6.02	-38.32
COC1=CC=C([C@@H]2C[C@H]2C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020166761	0	44	-1.0	-46.65	379.56	5.41	-41.24
COC1=CC=C([C@@H]2C[C@H]2C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020166761	1	44	-1.0	-46.65	379.61	5.42	-41.23
CSCC[C@H](NC(=O)C1=CC=CC(C(=O)C2=CC=CO2)=C1)C1=N[N-]N=N1	REAL300020166762	0	42	-1.0	-49.04	376.86	5.74	-43.30
CSCC[C@H](NC(=O)C1=CC=CC(C(=O)C2=CC=CO2)=C1)C1=NN=N[N-]1	REAL300020166762	1	42	-1.0	-49.01	376.92	5.75	-43.26
CSCC[C@H](NC(=O)CC1=CC=C(C2CCCCC2)C=C1)C1=N[N-]N=N1	REAL300020166763	0	52	-1.0	-46.78	424.00	8.57	-38.21
CSCC[C@H](NC(=O)CC1=CC=C(C2CCCCC2)C=C1)C1=NN=N[N-]1	REAL300020166763	1	52	-1.0	-46.78	424.06	8.58	-38.20
COCC1=CN=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020166764	0	39	-1.0	-46.01	347.69	2.02	-43.99
COCC1=CN=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020166764	1	39	-1.0	-45.99	347.63	2.00	-43.99
CSCC[C@H](NC(=O)C1(C(F)(F)F)CCCCC1)C1=N[N-]N=N1	REAL300020166765	0	42	-1.0	-41.95	349.09	5.13	-36.82
CSCC[C@H](NC(=O)C1(C(F)(F)F)CCCCC1)C1=NN=N[N-]1	REAL300020166765	1	42	-1.0	-41.96	349.14	5.14	-36.82
CSCC[C@H](NC(=O)C1CCC(C(=O)N(C)C)CC1)C1=N[N-]N=N1	REAL300020166766	0	49	-1.0	-47.19	398.31	4.30	-42.89
CSCC[C@H](NC(=O)C1CCC(C(=O)N(C)C)CC1)C1=NN=N[N-]1	REAL300020166766	1	49	-1.0	-47.18	398.37	4.31	-42.87
CSCC[C@H](NC(=O)C1=CN=CC(Br)=C1C)C1=N[N-]N=N1	REAL300020166767	0	35	-1.0	-42.47	326.93	3.51	-38.96
CSCC[C@H](NC(=O)C1=CN=CC(Br)=C1C)C1=NN=N[N-]1	REAL300020166767	1	35	-1.0	-42.45	326.99	3.52	-38.93
CSCC[C@H](NC(=O)C(C)(C)N1C=CC=N1)C1=NN=N[N-]1	REAL300020166768	0	39	-1.0	-53.49	336.88	3.45	-50.04
CSCC[C@H](NC(=O)C(C)(C)N1C=CC=N1)C1=N[N-]N=N1	REAL300020166768	1	39	-1.0	-53.48	336.82	3.43	-50.05
CSCC[C@H](NC(=O)[C@H](C(C)C)N1CC2=CC=CC=C2C1=O)C1=N[N-]N=N1	REAL300020166769	0	50	-1.0	-68.03	414.49	8.42	-59.61
CSCC[C@H](NC(=O)[C@H](C(C)C)N1CC2=CC=CC=C2C1=O)C1=NN=N[N-]1	REAL300020166769	1	50	-1.0	-68.02	414.55	8.44	-59.58
COC1=CC=C(OC(C)(C)C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020166770	0	47	-1.0	-48.85	387.31	4.78	-44.07
COC1=CC=C(OC(C)(C)C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020166770	1	47	-1.0	-48.86	387.37	4.79	-44.07
CSCC[C@H](NC(=O)C(CC(C)C)C1=CC=C(Cl)C=C1)C1=N[N-]N=N1	REAL300020166771	0	48	-1.0	-43.85	413.06	7.76	-36.09
CSCC[C@H](NC(=O)C(CC(C)C)C1=CC=C(Cl)C=C1)C1=NN=N[N-]1	REAL300020166771	1	48	-1.0	-43.87	413.12	7.77	-36.10
CSCC[C@H](NC(=O)C1=CC=C2NC(=O)N(C(C)C)C2=C1)C1=N[N-]N=N1	REAL300020166772	0	46	-1.0	-48.76	392.10	4.35	-44.41
CSCC[C@H](NC(=O)C1=CC=C2NC(=O)N(C(C)C)C2=C1)C1=NN=N[N-]1	REAL300020166772	1	46	-1.0	-48.75	392.16	4.36	-44.39
COC1=CC=CC(CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1Cl	REAL300020166773	0	40	-1.0	-52.57	365.20	4.53	-48.04
COC1=CC=CC(CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1Cl	REAL300020166773	1	40	-1.0	-52.61	365.26	4.55	-48.06
CSCC[C@H](NC(=O)C1=CN=C2CCCN12)C1=N[N-]N=N1	REAL300020166774	0	37	-1.0	-49.93	323.38	3.62	-46.31
CSCC[C@H](NC(=O)C1=CN=C2CCCN12)C1=NN=N[N-]1	REAL300020166774	1	37	-1.0	-49.89	323.44	3.63	-46.26
CCCCC(C)(F)C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020166775	0	41	-1.0	-45.34	348.82	4.58	-40.76
CCCCC(C)(F)C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020166775	1	41	-1.0	-45.38	348.87	4.60	-40.78
CSCC[C@H](NC(=O)C1=CN=C(C)N=C1N)C1=N[N-]N=N1	REAL300020166776	0	36	-1.0	-42.78	319.32	1.20	-41.58
CSCC[C@H](NC(=O)C1=CN=C(C)N=C1N)C1=NN=N[N-]1	REAL300020166776	1	36	-1.0	-42.77	319.38	1.21	-41.56
CCC(C(=O)N[C@@H](CCSC)C1=N[N-]N=N1)N(C)C(=O)OC(C)(C)C	REAL300020166777	0	52	-1.0	-43.98	421.97	5.31	-38.67
CCC(C(=O)N[C@@H](CCSC)C1=NN=N[N-]1)N(C)C(=O)OC(C)(C)C	REAL300020166777	1	52	-1.0	-43.98	422.02	5.32	-38.66
CSCC[C@H](NC(=O)CCC1CC1(Cl)Cl)C1=N[N-]N=N1	REAL300020166778	0	36	-1.0	-47.39	346.70	5.12	-42.27
CSCC[C@H](NC(=O)CCC1CC1(Cl)Cl)C1=NN=N[N-]1	REAL300020166778	1	36	-1.0	-47.45	346.75	5.13	-42.32
CSCC[C@H](NC(=O)C(CC1COCCO1)C(F)(F)F)C1=N[N-]N=N1	REAL300020166779	0	44	-1.0	-44.74	379.68	2.83	-41.91
CSCC[C@H](NC(=O)C(CC1COCCO1)C(F)(F)F)C1=NN=N[N-]1	REAL300020166779	1	44	-1.0	-44.77	379.74	2.84	-41.93
CSCC[C@H](NC(=O)C1=C(C(F)(F)F)N=C2CCCCN21)C1=N[N-]N=N1	REAL300020166780	0	43	-1.0	-43.35	384.19	4.94	-38.41
CSCC[C@H](NC(=O)C1=C(C(F)(F)F)N=C2CCCCN21)C1=NN=N[N-]1	REAL300020166780	1	43	-1.0	-43.35	384.25	4.96	-38.39
CSCC[C@H](NC(=O)[C@H](CC(C)C)NCC(F)(F)F)C1=N[N-]N=N1	REAL300020166781	0	46	-1.0	-47.97	392.79	3.14	-44.83
CSCC[C@H](NC(=O)[C@H](CC(C)C)NCC(F)(F)F)C1=NN=N[N-]1	REAL300020166781	1	46	-1.0	-47.91	392.85	3.15	-44.76
CSCC[C@H](NC(=O)C[C@H]1CCN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300020166782	0	53	-1.0	-53.38	431.93	4.87	-48.51
CSCC[C@H](NC(=O)C[C@H]1CCN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300020166782	1	53	-1.0	-53.46	431.98	4.88	-48.58
CSCC[C@H](NC(=O)CC1=CC=C(Br)C=C1F)C1=N[N-]N=N1	REAL300020166783	0	36	-1.0	-44.51	348.87	5.42	-39.09
CSCC[C@H](NC(=O)CC1=CC=C(Br)C=C1F)C1=NN=N[N-]1	REAL300020166783	1	36	-1.0	-44.54	348.93	5.44	-39.10
CSCC[C@H](NC(=O)C1=CC(N2C=CN=N2)=CC=C1F)C1=NN=N[N-]1	REAL300020166784	0	39	-1.0	-56.21	354.52	4.09	-52.12
CSCC[C@H](NC(=O)C1=CC(N2C=CN=N2)=CC=C1F)C1=N[N-]N=N1	REAL300020166784	1	39	-1.0	-56.27	354.46	4.08	-52.19
CSCC[C@H](NC(=O)C1(N2C=NN=N2)CCOCC1)C1=NN=N[N-]1	REAL300020166785	0	42	-1.0	-42.60	353.29	1.57	-41.03
CSCC[C@H](NC(=O)C1(N2C=NN=N2)CCOCC1)C1=N[N-]N=N1	REAL300020166785	1	42	-1.0	-42.60	353.23	1.56	-41.04
CSCC[C@H](NC(=O)CN(C(=O)OC(C)(C)C)C(C)C)C1=N[N-]N=N1	REAL300020166786	0	52	-1.0	-47.75	419.60	5.14	-42.61
CSCC[C@H](NC(=O)CN(C(=O)OC(C)(C)C)C(C)C)C1=NN=N[N-]1	REAL300020166786	1	52	-1.0	-47.69	419.66	5.15	-42.54
CSCC[C@H](NC(=O)C1=CC=C(OC(C)C)C(C(C)=O)=C1)C1=N[N-]N=N1	REAL300020166787	0	48	-1.0	-47.81	405.73	6.62	-41.19
CSCC[C@H](NC(=O)C1=CC=C(OC(C)C)C(C(C)=O)=C1)C1=NN=N[N-]1	REAL300020166787	1	48	-1.0	-47.81	405.79	6.64	-41.17
CSCC[C@H](NC(=O)C1CC[N@H+](C)CC1C1=CN(C)N=C1)C1=NN=N[N-]1	REAL300020166788	0	52	0.0	-68.87	400.62	4.51	-64.36
CSCC[C@H](NC(=O)C1CC[N@@H+](C)CC1C1=CN(C)N=C1)C1=NN=N[N-]1	REAL300020166788	1	52	0.0	-77.08	414.19	4.90	-72.18
CSCC[C@H](NC(=O)C1CC[N@H+](C)CC1C1=CN(C)N=C1)C1=N[N-]N=N1	REAL300020166788	1	52	0.0	-68.81	400.47	4.48	-64.33
CSCC[C@H](NC(=O)C1CC[N@@H+](C)CC1C1=CN(C)N=C1)C1=N[N-]N=N1	REAL300020166788	1	52	0.0	-77.04	414.13	4.89	-72.15
CSCC[C@H](NC(=O)C1=C(N)N(CC2=CC=CC=C2)N=C1)C1=NN=N[N-]1	REAL300020166789	0	45	-1.0	-47.06	392.75	4.76	-42.30
CSCC[C@H](NC(=O)C1=C(N)N(CC2=CC=CC=C2)N=C1)C1=N[N-]N=N1	REAL300020166789	1	45	-1.0	-47.00	392.69	4.75	-42.25
CSCC[C@H](NC(=O)C1=C2CCCCN2C=C1)C1=N[N-]N=N1	REAL300020166790	0	41	-1.0	-50.87	346.49	5.31	-45.56
CSCC[C@H](NC(=O)C1=C2CCCCN2C=C1)C1=NN=N[N-]1	REAL300020166790	1	41	-1.0	-50.86	346.55	5.32	-45.54
CSCC[C@H](NC(=O)C1=CC=CC(NC2=NC=CC(C)=N2)=C1)C1=NN=N[N-]1	REAL300020166791	0	46	-1.0	-53.89	401.17	7.26	-46.63
CSCC[C@H](NC(=O)C1=CC=CC(NC2=NC=CC(C)=N2)=C1)C1=N[N-]N=N1	REAL300020166791	1	46	-1.0	-53.84	401.11	7.24	-46.60
CCNC1=NC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)S1	REAL300020166792	0	37	-1.0	-46.59	343.73	2.12	-44.47
CCNC1=NC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)S1	REAL300020166792	1	37	-1.0	-46.59	343.67	2.10	-44.49
CSCC[C@H](NC(=O)C1=CC=C(C2CC2)C=C1)C1=N[N-]N=N1	REAL300020166793	0	40	-1.0	-46.39	346.72	6.18	-40.21
CSCC[C@H](NC(=O)C1=CC=C(C2CC2)C=C1)C1=NN=N[N-]1	REAL300020166793	1	40	-1.0	-46.32	346.78	6.20	-40.12
COC(C(=O)N[C@@H](CCSC)C1=N[N-]N=N1)C1CCCC1	REAL300020166794	0	43	-1.0	-48.89	355.31	4.88	-44.01
COC(C(=O)N[C@@H](CCSC)C1=NN=N[N-]1)C1CCCC1	REAL300020166794	1	43	-1.0	-48.86	355.37	4.89	-43.97
CSCC[C@H](NC(=O)[C@@H]1C[C@H]1C1=CC=CC=C1C)C1=N[N-]N=N1	REAL300020166795	0	43	-1.0	-45.70	367.90	6.63	-39.07
CSCC[C@H](NC(=O)[C@@H]1C[C@H]1C1=CC=CC=C1C)C1=NN=N[N-]1	REAL300020166795	1	43	-1.0	-45.65	367.96	6.64	-39.01
CSCC[C@H](NC(=O)C1CC2=CC=CC=C2CO1)C1=N[N-]N=N1	REAL300020166796	0	41	-1.0	-48.53	354.55	5.26	-43.27
CSCC[C@H](NC(=O)C1CC2=CC=CC=C2CO1)C1=NN=N[N-]1	REAL300020166796	1	41	-1.0	-48.55	354.61	5.28	-43.27
COC(C(=O)N[C@@H](CCSC)C1=N[N-]N=N1)C1CCCCC1	REAL300020166797	0	46	-1.0	-43.03	372.45	4.40	-38.63
COC(C(=O)N[C@@H](CCSC)C1=NN=N[N-]1)C1CCCCC1	REAL300020166797	1	46	-1.0	-43.00	372.51	4.42	-38.58
CSCC[C@H](NC(=O)C(C)CC1=CC=CO1)C1=N[N-]N=N1	REAL300020166798	0	39	-1.0	-45.82	341.32	4.26	-41.56
CSCC[C@H](NC(=O)C(C)CC1=CC=CO1)C1=NN=N[N-]1	REAL300020166798	1	39	-1.0	-45.79	341.38	4.28	-41.51
CSCC[C@H](NC(=O)C1=CC=C2OC(C)CC2=C1)C1=N[N-]N=N1	REAL300020166799	0	41	-1.0	-46.76	354.41	4.67	-42.09
CSCC[C@H](NC(=O)C1=CC=C2OC(C)CC2=C1)C1=NN=N[N-]1	REAL300020166799	1	41	-1.0	-46.83	354.47	4.69	-42.14
CSCC[C@H](NC(=O)C1CC2(C1)CCCCC2)C1=N[N-]N=N1	REAL300020166800	0	46	-1.0	-46.50	368.55	5.97	-40.53
CSCC[C@H](NC(=O)C1CC2(C1)CCCCC2)C1=NN=N[N-]1	REAL300020166800	1	46	-1.0	-46.51	368.60	5.99	-40.52
CSCC[C@H](NC(=O)C1=CC(Cl)=CC2=CC=CC=C21)C1=N[N-]N=N1	REAL300020166801	0	39	-1.0	-46.44	355.69	6.86	-39.58
CSCC[C@H](NC(=O)C1=CC(Cl)=CC2=CC=CC=C21)C1=NN=N[N-]1	REAL300020166801	1	39	-1.0	-46.49	355.75	6.88	-39.61
CSCC[C@H](NC(=O)C1=CC=CN2C=C(C(F)(F)F)N=C12)C1=NN=N[N-]1	REAL300020166802	0	39	-1.0	-56.11	364.58	6.26	-49.85
CSCC[C@H](NC(=O)C1=CC=CN2C=C(C(F)(F)F)N=C12)C1=N[N-]N=N1	REAL300020166802	1	39	-1.0	-56.14	364.53	6.25	-49.89
CSCC[C@H](NC(=O)C1=C(C)N(C2=CN(C)N=C2)C(C)=C1)C1=NN=N[N-]1	REAL300020166803	0	47	-1.0	-52.01	406.40	5.75	-46.26
CSCC[C@H](NC(=O)C1=C(C)N(C2=CN(C)N=C2)C(C)=C1)C1=N[N-]N=N1	REAL300020166803	1	47	-1.0	-52.06	406.34	5.73	-46.33
CSCC[C@H](NC(=O)CC1=C(C2=CC=CS2)N=C(C)S1)C1=NN=N[N-]1	REAL300020166804	0	42	-1.0	-49.00	393.62	5.13	-43.87
CSCC[C@H](NC(=O)CC1=C(C2=CC=CS2)N=C(C)S1)C1=N[N-]N=N1	REAL300020166804	1	42	-1.0	-49.04	393.57	5.11	-43.93
COCC1=CSC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020166805	0	37	-1.0	-47.56	344.97	2.81	-44.75
COCC1=CSC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020166805	1	37	-1.0	-47.58	345.03	2.82	-44.76
CSCC[C@H](NC(=O)CC(C)C1CCCO1)C1=N[N-]N=N1	REAL300020166806	0	43	-1.0	-46.35	352.16	3.42	-42.93
CSCC[C@H](NC(=O)CC(C)C1CCCO1)C1=NN=N[N-]1	REAL300020166806	1	43	-1.0	-46.40	352.21	3.43	-42.97
CSCC[C@H](NC(=O)C1=CC=C(NC2=[NH+]CCC2)C=C1)C1=N[N-]N=N1	REAL300020166807	0	46	0.0	-64.53	386.57	4.79	-59.74
CSCC[C@H](NC(=O)C1=CC=C(NC2=[NH+]CCC2)C=C1)C1=NN=N[N-]1	REAL300020166807	1	46	0.0	-64.57	386.62	4.80	-59.77
CSCC[C@H](NC(=O)C1=CC=CC(NCC2=CC=CC=N2)=C1)C1=NN=N[N-]1	REAL300020166808	0	47	-1.0	-50.51	408.93	4.87	-45.64
CSCC[C@H](NC(=O)C1=CC=CC(NCC2=CC=CC=N2)=C1)C1=N[N-]N=N1	REAL300020166808	1	47	-1.0	-50.53	408.87	4.85	-45.68
CSCC[C@H](NC(=O)C1=CC(N)=NC(Br)=C1)C1=NN=N[N-]1	REAL300020166809	0	34	-1.0	-43.15	329.40	1.59	-41.56
CSCC[C@H](NC(=O)C1=CC(N)=NC(Br)=C1)C1=N[N-]N=N1	REAL300020166809	1	34	-1.0	-43.16	329.34	1.58	-41.58
CSCC[C@H](NC(=O)C1=NOC2=C1COCC2)C1=N[N-]N=N1	REAL300020166810	0	37	-1.0	-46.64	329.32	1.69	-44.95
CSCC[C@H](NC(=O)C1=NOC2=C1COCC2)C1=NN=N[N-]1	REAL300020166810	1	37	-1.0	-46.60	329.38	1.71	-44.89
CSCC[C@H](NC(=O)C1=CC2=NC(C)=CN2C=C1)C1=N[N-]N=N1	REAL300020166811	0	39	-1.0	-52.59	346.06	5.24	-47.35
CSCC[C@H](NC(=O)C1=CC2=NC(C)=CN2C=C1)C1=NN=N[N-]1	REAL300020166811	1	39	-1.0	-52.55	346.12	5.26	-47.29
CSCC[C@H](NC(=O)C1=CN(C2CC2)N=N1)C1=NN=N[N-]1	REAL300020166812	0	36	-1.0	-46.53	328.49	1.94	-44.59
CSCC[C@H](NC(=O)C1=CN(C2CC2)N=N1)C1=N[N-]N=N1	REAL300020166812	1	36	-1.0	-46.55	328.43	1.92	-44.63
CSCC[C@H](NC(=O)CC1NC(=O)C2=CC=CC=C21)C1=N[N-]N=N1	REAL300020166813	0	41	-1.0	-55.27	361.84	2.55	-52.72
CSCC[C@H](NC(=O)CC1NC(=O)C2=CC=CC=C21)C1=NN=N[N-]1	REAL300020166813	1	41	-1.0	-55.28	361.90	2.57	-52.71
CNC1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1F	REAL300020166814	0	38	-1.0	-48.36	337.79	3.00	-45.36
CNC1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1F	REAL300020166814	1	38	-1.0	-48.35	337.85	3.01	-45.34
CSCC[C@H](NC(=O)C1CCC2C(C1)C2(F)F)C1=N[N-]N=N1	REAL300020166815	0	40	-1.0	-50.51	339.96	5.06	-45.45
CSCC[C@H](NC(=O)C1CCC2C(C1)C2(F)F)C1=NN=N[N-]1	REAL300020166815	1	40	-1.0	-50.52	340.02	5.07	-45.45
CSCC[C@H](NC(=O)C1(C(C)(F)F)CC1)C1=N[N-]N=N1	REAL300020166816	0	36	-1.0	-43.67	324.88	3.76	-39.91
CSCC[C@H](NC(=O)C1(C(C)(F)F)CC1)C1=NN=N[N-]1	REAL300020166816	1	36	-1.0	-43.66	324.93	3.77	-39.89
CSCC[C@H](NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1)C1=N[N-]N=N1	REAL300020166817	0	44	-1.0	-53.84	377.60	0.76	-53.08
CSCC[C@H](NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1)C1=NN=N[N-]1	REAL300020166817	1	44	-1.0	-53.81	377.66	0.77	-53.04
COC1=CC=C(CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1OC(F)F	REAL300020166818	0	44	-1.0	-50.52	390.67	4.25	-46.27
COC1=CC=C(CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1OC(F)F	REAL300020166818	1	44	-1.0	-50.51	390.72	4.26	-46.25
CSCC[C@H](NC(=O)CC1=CC=CC(C)=C1Br)C1=N[N-]N=N1	REAL300020166819	0	39	-1.0	-48.58	358.57	5.84	-42.74
CSCC[C@H](NC(=O)CC1=CC=CC(C)=C1Br)C1=NN=N[N-]1	REAL300020166819	1	39	-1.0	-48.57	358.63	5.86	-42.71
CSCC[C@H](NC(=O)C1=CC=C(C(=O)N2CCOCC2)C=C1)C1=N[N-]N=N1	REAL300020166820	0	48	-1.0	-46.97	403.66	3.60	-43.37
CSCC[C@H](NC(=O)C1=CC=C(C(=O)N2CCOCC2)C=C1)C1=NN=N[N-]1	REAL300020166820	1	48	-1.0	-47.01	403.72	3.62	-43.39
CSCC[C@H](NC(=O)C1=CC=C(CN2C=CN=N2)C=C1)C1=NN=N[N-]1	REAL300020166821	0	42	-1.0	-58.07	375.21	4.52	-53.55
CSCC[C@H](NC(=O)C1=CC=C(CN2C=CN=N2)C=C1)C1=N[N-]N=N1	REAL300020166821	1	42	-1.0	-58.05	375.15	4.50	-53.55
CSCC[C@H](NC(=O)CC1=CC(C)=C(Cl)C=N1)C1=N[N-]N=N1	REAL300020166822	0	38	-1.0	-47.95	351.39	4.24	-43.71
CSCC[C@H](NC(=O)CC1=CC(C)=C(Cl)C=N1)C1=NN=N[N-]1	REAL300020166822	1	38	-1.0	-47.93	351.44	4.25	-43.68
CSCC[C@H](NC(=O)C1=CC(Cl)=C(N)C(Cl)=C1)C1=N[N-]N=N1	REAL300020166823	0	35	-1.0	-43.95	341.18	3.14	-40.81
CSCC[C@H](NC(=O)C1=CC(Cl)=C(N)C(Cl)=C1)C1=NN=N[N-]1	REAL300020166823	1	35	-1.0	-43.94	341.24	3.16	-40.78
CCC1(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)CCC(F)(F)CC1	REAL300020166824	0	45	-1.0	-44.70	363.44	5.28	-39.42
CCC1(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)CCC(F)(F)CC1	REAL300020166824	1	45	-1.0	-44.67	363.49	5.30	-39.37
CSCC[C@H](NC(=O)C1=C(C(F)(F)F)C=NN1C)C1=NN=N[N-]1	REAL300020166825	0	36	-1.0	-48.58	343.84	2.76	-45.82
CSCC[C@H](NC(=O)C1=C(C(F)(F)F)C=NN1C)C1=N[N-]N=N1	REAL300020166825	1	36	-1.0	-48.57	343.78	2.74	-45.83
CSCC[C@H](NC(=O)[C@@H]1OCCO[C@@H]1C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020166826	0	45	-1.0	-49.90	376.18	4.55	-45.35
CSCC[C@H](NC(=O)[C@@H]1OCCO[C@@H]1C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020166826	1	45	-1.0	-49.94	376.24	4.56	-45.38
CSCC[C@H](NC(=O)C1(C(F)(F)F)CCOCC1)C1=N[N-]N=N1	REAL300020166827	0	40	-1.0	-41.17	340.70	2.79	-38.38
CSCC[C@H](NC(=O)C1(C(F)(F)F)CCOCC1)C1=NN=N[N-]1	REAL300020166827	1	40	-1.0	-41.13	340.75	2.80	-38.33
CSCC[C@H](NC(=O)C1=CC(C(F)(F)F)=CC=C1Cl)C1=N[N-]N=N1	REAL300020166828	0	36	-1.0	-44.62	348.77	5.59	-39.03
CSCC[C@H](NC(=O)C1=CC(C(F)(F)F)=CC=C1Cl)C1=NN=N[N-]1	REAL300020166828	1	36	-1.0	-44.62	348.83	5.61	-39.01
CSCC[C@H](NC(N)=O)C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020166829	0	42	-1.0	-63.46	372.51	0.50	-62.96
CSCC[C@H](NC(N)=O)C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020166829	1	42	-1.0	-63.45	372.57	0.51	-62.94
CSCC[C@H](NC(=O)C1(C2=CC(F)=CC(F)=C2)CCCC1)C1=N[N-]N=N1	REAL300020166830	0	46	-1.0	-43.70	387.94	7.42	-36.28
CSCC[C@H](NC(=O)C1(C2=CC(F)=CC(F)=C2)CCCC1)C1=NN=N[N-]1	REAL300020166830	1	46	-1.0	-43.73	387.99	7.44	-36.29
CSCC[C@H](NC(=O)C1(C)CC=C(C)CC1)C1=N[N-]N=N1	REAL300020166831	0	43	-1.0	-47.42	351.55	5.21	-42.21
CSCC[C@H](NC(=O)C1(C)CC=C(C)CC1)C1=NN=N[N-]1	REAL300020166831	1	43	-1.0	-47.41	351.61	5.23	-42.18
CCN1C(=O)NC2=CC(C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)=CC=C21	REAL300020166832	0	43	-1.0	-49.79	377.26	3.90	-45.89
CCN1C(=O)NC2=CC(C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)=CC=C21	REAL300020166832	1	43	-1.0	-49.79	377.32	3.92	-45.87
CSCC[C@H](NC(=O)C1=CC=C2NC(=O)N(C3CC3)C2=C1)C1=N[N-]N=N1	REAL300020166833	0	44	-1.0	-49.03	382.30	4.57	-44.46
CSCC[C@H](NC(=O)C1=CC=C2NC(=O)N(C3CC3)C2=C1)C1=NN=N[N-]1	REAL300020166833	1	44	-1.0	-49.00	382.35	4.58	-44.42
CSCC[C@H](NC(=O)[C@@H]1C[C@H]1OC(C)(C)C)C1=N[N-]N=N1	REAL300020166834	0	43	-1.0	-43.81	363.52	3.61	-40.20
CSCC[C@H](NC(=O)[C@@H]1C[C@H]1OC(C)(C)C)C1=NN=N[N-]1	REAL300020166834	1	43	-1.0	-43.76	363.58	3.62	-40.14
CSCC[C@H](NC(=O)C1(O)CCCC(C)(C)C1)C1=N[N-]N=N1	REAL300020166835	0	46	-1.0	-47.83	362.50	2.74	-45.09
CSCC[C@H](NC(=O)C1(O)CCCC(C)(C)C1)C1=NN=N[N-]1	REAL300020166835	1	46	-1.0	-47.83	362.56	2.76	-45.07
COC(=O)N1CCC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)CC1	REAL300020166836	0	44	-1.0	-47.71	371.14	3.00	-44.71
COC(=O)N1CCC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)CC1	REAL300020166836	1	44	-1.0	-47.71	371.20	3.02	-44.69
CSCC[C@H](NC(=O)CCC1=CC=CN=C1Cl)C1=NN=N[N-]1	REAL300020166837	0	38	-1.0	-49.97	351.28	4.10	-45.87
CSCC[C@H](NC(=O)CCC1=CC=CN=C1Cl)C1=N[N-]N=N1	REAL300020166837	1	38	-1.0	-49.97	351.23	4.09	-45.88
CSCC[C@H](NC(=O)C1CCCCN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300020166838	0	56	-1.0	-45.62	441.35	6.14	-39.48
CSCC[C@H](NC(=O)C1CCCCN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300020166838	1	56	-1.0	-45.62	441.41	6.16	-39.46
CSCC[C@H](NC(=O)[C@H]1OCC(=O)N(C)[C@@H]1C1=CC=CN=C1)C1=NN=N[N-]1	REAL300020166839	0	47	-1.0	-43.60	390.88	3.56	-40.04
CSCC[C@H](NC(=O)[C@H]1OCC(=O)N(C)[C@@H]1C1=CC=CN=C1)C1=N[N-]N=N1	REAL300020166839	1	47	-1.0	-43.57	390.83	3.54	-40.03
COC(C)(C(=O)N[C@@H](CCSC)C1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL300020166840	0	48	-1.0	-47.75	394.00	4.88	-42.87
COC(C)(C(=O)N[C@@H](CCSC)C1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL300020166840	1	48	-1.0	-47.71	394.05	4.89	-42.82
CSCC[C@H](NC(=O)C1(C(=O)OC(C)(C)C)CC1(C)C)C1=N[N-]N=N1	REAL300020166841	0	51	-1.0	-46.13	408.58	6.58	-39.55
CSCC[C@H](NC(=O)C1(C(=O)OC(C)(C)C)CC1(C)C)C1=NN=N[N-]1	REAL300020166841	1	51	-1.0	-46.08	408.63	6.60	-39.48
CSCC[C@H](NC(=O)C(C(=O)OC(C)(C)C)C1CCCC1)C1=N[N-]N=N1	REAL300020166842	0	54	-1.0	-50.13	419.86	8.23	-41.90
CSCC[C@H](NC(=O)C(C(=O)OC(C)(C)C)C1CCCC1)C1=NN=N[N-]1	REAL300020166842	1	54	-1.0	-50.15	419.92	8.24	-41.91
CSCC[C@H](NC(=O)C=CC1=CC=C(S(C)(=O)=O)O1)C1=N[N-]N=N1	REAL300020166843	0	40	-1.0	-52.78	377.97	1.09	-51.69
CSCC[C@H](NC(=O)C=CC1=CC=C(S(C)(=O)=O)O1)C1=NN=N[N-]1	REAL300020166843	1	40	-1.0	-52.78	378.03	1.10	-51.68
CSCC[C@H](NC(=O)C1=C(C(F)F)N(C2=CC=CC=C2)N=C1)C1=N[N-]N=N1	REAL300020166844	0	43	-1.0	-46.67	383.24	5.75	-40.92
CSCC[C@H](NC(=O)C1=C(C(F)F)N(C2=CC=CC=C2)N=C1)C1=NN=N[N-]1	REAL300020166844	1	43	-1.0	-46.66	383.30	5.77	-40.89
CSCC[C@H](NC(=O)C1=CC(Br)=CNC1=O)C1=N[N-]N=N1	REAL300020166845	0	33	-1.0	-54.88	321.08	1.93	-52.95
CSCC[C@H](NC(=O)C1=CC(Br)=CNC1=O)C1=NN=N[N-]1	REAL300020166845	1	33	-1.0	-54.88	321.14	1.94	-52.94
COCC1(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)CCCCC1	REAL300020166846	0	46	-1.0	-48.60	365.09	4.40	-44.20
COCC1(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)CCCCC1	REAL300020166846	1	46	-1.0	-48.55	365.14	4.41	-44.14
CSCC[C@H](NC(=O)C1=CN=C2CCCCCN12)C1=N[N-]N=N1	REAL300020166847	0	43	-1.0	-46.61	353.61	4.45	-42.16
CSCC[C@H](NC(=O)C1=CN=C2CCCCCN12)C1=NN=N[N-]1	REAL300020166847	1	43	-1.0	-46.62	353.67	4.47	-42.15
CSCC[C@H](NC(=O)C1=CC2=C(C=CC3=C2C=CC=C3)O1)C1=N[N-]N=N1	REAL300020166848	0	42	-1.0	-47.97	375.08	6.74	-41.23
CSCC[C@H](NC(=O)C1=CC2=C(C=CC3=C2C=CC=C3)O1)C1=NN=N[N-]1	REAL300020166848	1	42	-1.0	-48.01	375.14	6.76	-41.25
CSCC[C@H](NC(=O)C1=CC(S(C)(=O)=O)=C(C)O1)C1=N[N-]N=N1	REAL300020166849	0	39	-1.0	-54.34	362.59	0.40	-53.94
CSCC[C@H](NC(=O)C1=CC(S(C)(=O)=O)=C(C)O1)C1=NN=N[N-]1	REAL300020166849	1	39	-1.0	-54.35	362.65	0.41	-53.94
CSCC[C@H](NC(=O)C1=CC2=CSC=C2S1)C1=N[N-]N=N1	REAL300020166850	0	33	-1.0	-47.01	327.69	4.45	-42.56
CSCC[C@H](NC(=O)C1=CC2=CSC=C2S1)C1=NN=N[N-]1	REAL300020166850	1	33	-1.0	-47.03	327.75	4.47	-42.56
CSCC[C@H](NC(=O)C(C)CC1=CC=CC=C1C)C1=N[N-]N=N1	REAL300020166851	0	45	-1.0	-45.19	375.01	6.51	-38.68
CSCC[C@H](NC(=O)C(C)CC1=CC=CC=C1C)C1=NN=N[N-]1	REAL300020166851	1	45	-1.0	-45.20	375.07	6.53	-38.67
CSCC[C@H](NC(=O)C1=C(C)C=C(C(F)F)O1)C1=N[N-]N=N1	REAL300020166852	0	36	-1.0	-43.10	334.71	3.88	-39.22
CSCC[C@H](NC(=O)C1=C(C)C=C(C(F)F)O1)C1=NN=N[N-]1	REAL300020166852	1	36	-1.0	-43.13	334.76	3.90	-39.23
CSCC[C@H](NC(=O)C1C2CC3=C(Cl)C=CC=C3C21)C1=N[N-]N=N1	REAL300020166853	0	41	-1.0	-44.81	372.59	7.12	-37.69
CSCC[C@H](NC(=O)C1C2CC3=C(Cl)C=CC=C3C21)C1=NN=N[N-]1	REAL300020166853	1	41	-1.0	-44.82	372.64	7.14	-37.68
CSCC[C@H](NC(=O)[C@@H]1C[C@H]1C1=CC=CC(Cl)=C1Cl)C1=N[N-]N=N1	REAL300020166854	0	40	-1.0	-48.82	379.50	6.98	-41.84
CSCC[C@H](NC(=O)[C@@H]1C[C@H]1C1=CC=CC(Cl)=C1Cl)C1=NN=N[N-]1	REAL300020166854	1	40	-1.0	-48.84	379.56	7.00	-41.84
CSCC[C@H](NC(=O)CC1=COC2=CC=C(C)C=C12)C1=N[N-]N=N1	REAL300020166855	0	42	-1.0	-51.84	371.47	5.79	-46.05
CSCC[C@H](NC(=O)CC1=COC2=CC=C(C)C=C12)C1=NN=N[N-]1	REAL300020166855	1	42	-1.0	-51.85	371.53	5.80	-46.05
COC(C(=O)N[C@@H](CCSC)C1=N[N-]N=N1)C1=CC=C(F)C=C1	REAL300020166856	0	40	-1.0	-45.65	360.38	4.98	-40.67
COC(C(=O)N[C@@H](CCSC)C1=NN=N[N-]1)C1=CC=C(F)C=C1	REAL300020166856	1	40	-1.0	-45.67	360.44	5.00	-40.67
CCCC(C(=O)N[C@@H](CCSC)C1=N[N-]N=N1)C1=CC=CC(Cl)=C1	REAL300020166857	0	45	-1.0	-44.53	395.74	7.29	-37.24
CCCC(C(=O)N[C@@H](CCSC)C1=NN=N[N-]1)C1=CC=CC(Cl)=C1	REAL300020166857	1	45	-1.0	-44.55	395.79	7.31	-37.24
CSCC[C@H](NC(=O)C1=C(C)N(C2=NN(C)C=C2)C(C)=C1)C1=NN=N[N-]1	REAL300020166858	0	47	-1.0	-55.85	405.52	6.51	-49.34
CSCC[C@H](NC(=O)C1=C(C)N(C2=NN(C)C=C2)C(C)=C1)C1=N[N-]N=N1	REAL300020166858	1	47	-1.0	-55.90	405.46	6.49	-49.41
CSCC[C@H](NC(=O)CN1C=CN=C1C(C)C)C1=N[N-]N=N1	REAL300020166859	0	42	-1.0	-50.41	364.75	4.64	-45.77
CSCC[C@H](NC(=O)CN1C=CN=C1C(C)C)C1=NN=N[N-]1	REAL300020166859	1	42	-1.0	-50.40	364.80	4.65	-45.75
CSCC[C@H](NC(=O)CN1C=C[NH+]=C1C(C)C)C1=NN=N[N-]1	REAL300020166859	1	43	0.0	-53.06	363.56	5.25	-47.81
CSCC[C@H](NC(=O)C1CN(C2CCOC2)C1)C1=N[N-]N=N1	REAL300020166860	0	43	-1.0	-44.69	360.16	-0.10	-44.79
CSCC[C@H](NC(=O)C1C[NH+](C2CCOC2)C1)C1=NN=N[N-]1	REAL300020166860	1	44	0.0	-59.85	364.16	2.85	-57.00
CSCC[C@H](NC(=O)C1CN(C2CCOC2)C1)C1=NN=N[N-]1	REAL300020166860	1	43	-1.0	-44.73	360.22	-0.09	-44.82
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CSCC[C@H](NC(=O)C1=CN=C(C2CC2)O1)C1=NN=N[N-]1	REAL300020166872	1	36	-1.0	-47.58	328.54	1.47	-46.11
CSCC[C@H](NC(=O)C1C[NH+](C2CCOCC2)C1)C1=NN=N[N-]1	REAL300020166873	0	47	0.0	-63.87	380.69	3.49	-60.38
CSCC[C@H](NC(=O)C1C[NH+](C2CCOCC2)C1)C1=N[N-]N=N1	REAL300020166873	1	47	0.0	-63.88	380.63	3.47	-60.41
CSCC[C@H](NC(=O)CC1=CC=C(Br)C(O)=C1)C1=N[N-]N=N1	REAL300020166874	0	37	-1.0	-49.19	353.60	2.58	-46.61
CSCC[C@H](NC(=O)CC1=CC=C(Br)C(O)=C1)C1=NN=N[N-]1	REAL300020166874	1	37	-1.0	-49.18	353.66	2.60	-46.58
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CSCC[C@H](NC(=O)CCN1C=C(C#N)C(=O)[N-]C1=O)C1=N[N-]N=N1	REAL300020166876	0	39	-2.0	-98.76	369.45	-0.31	-99.07
CSCC[C@H](NC(=O)CCN1C=C(C#N)C(=O)[N-]C1=O)C1=NN=N[N-]1	REAL300020166876	1	39	-2.0	-98.79	369.51	-0.30	-99.09
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COC1=CC=C(CN2CCC2C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020166877	1	49	-1.0	-52.97	415.92	2.87	-50.10
CSCC[C@H](NC(=O)C1=CC(N2CCOCC2)=NC=N1)C1=NN=N[N-]1	REAL300020166878	0	44	-1.0	-44.11	377.01	2.17	-41.94
CSCC[C@H](NC(=O)C1=CC(N2CCOCC2)=NC=N1)C1=N[N-]N=N1	REAL300020166878	1	44	-1.0	-44.12	376.96	2.15	-41.97
CSCC[C@H](NC(=O)C1=C(O)C2=CC(O)=CC=C2C=C1)C1=N[N-]N=N1	REAL300020166879	0	41	-1.0	-50.52	362.39	2.10	-48.42
CSCC[C@H](NC(=O)C1=C(O)C2=CC(O)=CC=C2C=C1)C1=NN=N[N-]1	REAL300020166879	1	41	-1.0	-50.51	362.45	2.11	-48.40
CSCC[C@H](NC(=O)C1=C([O-])C2=CC(O)=CC=C2C=C1)C1=N[N-]N=N1	REAL300020166879	1	40	-2.0	-118.12	358.83	3.09	-115.03
CSCC[C@H](NC(=O)C1=C([O-])C2=CC(O)=CC=C2C=C1)C1=NN=N[N-]1	REAL300020166879	1	40	-2.0	-118.12	358.89	3.11	-115.01
CSCC[C@H](NC(=O)CN(C)CCC1=CC=CC=C1)C1=N[N-]N=N1	REAL300020166880	0	47	-1.0	-45.89	395.03	4.69	-41.20
CSCC[C@H](NC(=O)C[N@H+](C)CCC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020166880	1	48	0.0	-58.47	396.92	6.96	-51.51
CSCC[C@H](NC(=O)C[N@@H+](C)CCC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020166880	1	48	0.0	-58.48	396.92	6.95	-51.53
CSCC[C@H](NC(=O)CN(C)CCC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020166880	1	47	-1.0	-45.89	395.08	4.70	-41.19
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CSCC[C@H](NC(=O)CN1N=C(C)OC1=O)C1=N[N-]N=N1	REAL300020166882	0	35	-1.0	-56.75	326.46	-0.39	-57.14
CSCC[C@H](NC(=O)CN1N=C(C)OC1=O)C1=NN=N[N-]1	REAL300020166882	1	35	-1.0	-56.74	326.52	-0.38	-57.12
CSCC[C@H](NC(=O)C(C)N1CSCCSC1)C1=N[N-]N=N1	REAL300020166883	0	43	-1.0	-48.41	373.22	2.83	-45.58
CSCC[C@H](NC(=O)C(C)N1CSCCSC1)C1=NN=N[N-]1	REAL300020166883	1	43	-1.0	-48.44	373.28	2.84	-45.60
CSCC[C@H](NC(=O)CCN1CSCCSC1)C1=N[N-]N=N1	REAL300020166884	0	43	-1.0	-46.34	376.11	2.85	-43.49
CSCC[C@H](NC(=O)CCN1CSCCSC1)C1=NN=N[N-]1	REAL300020166884	1	43	-1.0	-46.34	376.17	2.87	-43.47
CSCC[C@H](NC(=O)CCN1C=C(C(N)=O)C(=O)NC1=O)C1=N[N-]N=N1	REAL300020166885	0	43	-1.0	-51.21	384.63	-1.84	-53.05
CSCC[C@H](NC(=O)CCN1C=C(C(N)=O)C(=O)NC1=O)C1=NN=N[N-]1	REAL300020166885	1	43	-1.0	-51.20	384.68	-1.83	-53.03
CSCC[C@H](NC(=O)C1CC2=C(Cl)C=CC=C21)C1=N[N-]N=N1	REAL300020166886	0	37	-1.0	-45.83	343.90	5.83	-40.00
CSCC[C@H](NC(=O)C1CC2=C(Cl)C=CC=C21)C1=NN=N[N-]1	REAL300020166886	1	37	-1.0	-45.79	343.95	5.85	-39.94
CSCC[C@H](NC(=O)C1=CC=C(C2=CSN=N2)C=C1)C1=N[N-]N=N1	REAL300020166887	0	38	-1.0	-51.52	354.44	4.15	-47.37
CSCC[C@H](NC(=O)C1=CC=C(C2=CSN=N2)C=C1)C1=NN=N[N-]1	REAL300020166887	1	38	-1.0	-51.53	354.49	4.16	-47.37
CSCC[C@H](NC(=O)CC(C)C1=CC=CO1)C1=N[N-]N=N1	REAL300020166888	0	39	-1.0	-44.57	340.98	4.25	-40.32
CSCC[C@H](NC(=O)CC(C)C1=CC=CO1)C1=NN=N[N-]1	REAL300020166888	1	39	-1.0	-44.61	341.03	4.27	-40.34
CSCC[C@H](NC(=O)C1CCC2=CC=CC=C2CC1)C1=N[N-]N=N1	REAL300020166889	0	46	-1.0	-47.90	375.09	6.99	-40.91
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CSCC[C@H](NC(=O)CC(C1CCC1)C1CCC1)C1=N[N-]N=N1	REAL300020166890	0	49	-1.0	-46.91	387.16	6.96	-39.95
CSCC[C@H](NC(=O)CC(C1CCC1)C1CCC1)C1=NN=N[N-]1	REAL300020166890	1	49	-1.0	-46.92	387.22	6.97	-39.95
CSCC[C@H](NC(=O)C(C)OCC1=CC=C(C)C=C1)C1=N[N-]N=N1	REAL300020166891	0	46	-1.0	-50.70	397.03	6.57	-44.13
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CSCC[C@H](NC(=O)C1C2CCCCCCC21)C1=N[N-]N=N1	REAL300020166892	0	46	-1.0	-45.70	358.05	5.78	-39.92
CSCC[C@H](NC(=O)C1C2CCCCCCC21)C1=NN=N[N-]1	REAL300020166892	1	46	-1.0	-45.74	358.10	5.79	-39.95
CSCC[C@H](NC(=O)C1=CC2=NN=NN2C=C1)C1=NN=N[N-]1	REAL300020166893	0	34	-1.0	-48.06	314.34	2.23	-45.83
CSCC[C@H](NC(=O)C1=CC2=NN=NN2C=C1)C1=N[N-]N=N1	REAL300020166893	1	34	-1.0	-48.08	314.29	2.21	-45.87
CSCC[C@H](NC(=O)C1CCC(C2CC2)CC1)C1=N[N-]N=N1	REAL300020166894	0	46	-1.0	-46.09	373.99	6.39	-39.70
CSCC[C@H](NC(=O)C1CCC(C2CC2)CC1)C1=NN=N[N-]1	REAL300020166894	1	46	-1.0	-46.07	374.05	6.40	-39.67
CSCC[C@H](NC(=O)C1=C2SC=CC2=NC=N1)C1=NN=N[N-]1	REAL300020166895	0	34	-1.0	-45.41	324.53	3.46	-41.95
CSCC[C@H](NC(=O)C1=C2SC=CC2=NC=N1)C1=N[N-]N=N1	REAL300020166895	1	34	-1.0	-45.39	324.47	3.44	-41.95
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CSCC[C@H](NC(=O)CC1(NC(=O)OC(C)(C)C)CC1)C1=N[N-]N=N1	REAL300020166897	0	50	-1.0	-45.05	417.77	3.27	-41.78
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CSCC[C@H](NC(=O)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300020166898	0	56	-1.0	-58.82	444.87	5.69	-53.13
CSCC[C@H](NC(=O)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300020166898	1	56	-1.0	-58.79	444.92	5.71	-53.08
CSCC[C@H](NC(=O)C1=CC=CC=C1CN1C=CN=N1)C1=NN=N[N-]1	REAL300020166899	0	42	-1.0	-62.04	365.57	4.61	-57.43
CSCC[C@H](NC(=O)C1=CC=CC=C1CN1C=CN=N1)C1=N[N-]N=N1	REAL300020166899	1	42	-1.0	-62.03	365.51	4.60	-57.43
CSCC[C@H](NC(=O)C1=CC=CC=C1CN1C=CN=N1)C1=NN=N[N-]1	REAL300020166900	0	42	-1.0	-62.04	365.57	4.61	-57.43
CSCC[C@H](NC(=O)C1=CC=CC=C1CN1C=CN=N1)C1=N[N-]N=N1	REAL300020166900	1	42	-1.0	-62.03	365.51	4.60	-57.43
CSCC[C@H](NC(=O)C1(C)CCN(C)C1=O)C1=N[N-]N=N1	REAL300020166901	0	40	-1.0	-49.76	343.30	2.15	-47.61
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CSCC[C@H](NC(=O)C(C)(C)C1=NC=CS1)C1=NN=N[N-]1	REAL300020166906	0	38	-1.0	-48.36	342.51	3.09	-45.27
CSCC[C@H](NC(=O)C(C)(C)C1=NC=CS1)C1=N[N-]N=N1	REAL300020166906	1	38	-1.0	-48.34	342.46	3.07	-45.27
CSCC[C@H](NC(=O)C1=CC=C(OC2CC2(F)F)C=C1)C1=N[N-]N=N1	REAL300020166907	0	41	-1.0	-48.41	371.39	5.26	-43.15
CSCC[C@H](NC(=O)C1=CC=C(OC2CC2(F)F)C=C1)C1=NN=N[N-]1	REAL300020166907	1	41	-1.0	-48.39	371.45	5.28	-43.11
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CSCC[C@H](NC(=O)C1=CC=C(OC(F)(F)F)C(Cl)=C1)C1=NN=N[N-]1	REAL300020166909	1	37	-1.0	-42.82	359.50	4.46	-38.36
COC1=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CC=C1Br	REAL300020166910	0	37	-1.0	-44.54	347.40	4.05	-40.49
COC1=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CC=C1Br	REAL300020166910	1	37	-1.0	-44.53	347.46	4.06	-40.47
CSCC[C@H](NC(=O)C1C2CC3=CC=CC=C3C21)C1=N[N-]N=N1	REAL300020166911	0	41	-1.0	-47.04	348.72	6.52	-40.52
CSCC[C@H](NC(=O)C1C2CC3=CC=CC=C3C21)C1=NN=N[N-]1	REAL300020166911	1	41	-1.0	-47.03	348.78	6.53	-40.50
CSCC[C@H](NC(=O)C1=CC=C(OC(F)(F)F)C(C)=C1)C1=N[N-]N=N1	REAL300020166912	0	40	-1.0	-43.27	363.47	4.65	-38.62
CSCC[C@H](NC(=O)C1=CC=C(OC(F)(F)F)C(C)=C1)C1=NN=N[N-]1	REAL300020166912	1	40	-1.0	-43.24	363.53	4.66	-38.58
CSCC[C@H](NC(=O)C1COC2=CC(F)=CC=C2C1)C1=N[N-]N=N1	REAL300020166913	0	41	-1.0	-43.01	358.52	4.68	-38.33
CSCC[C@H](NC(=O)C1COC2=CC(F)=CC=C2C1)C1=NN=N[N-]1	REAL300020166913	1	41	-1.0	-43.00	358.57	4.69	-38.31
CSCC[C@H](NC(=O)C1=C(C)OC(S(C)(=O)=O)=C1)C1=N[N-]N=N1	REAL300020166914	0	39	-1.0	-53.97	362.46	0.46	-53.51
CSCC[C@H](NC(=O)C1=C(C)OC(S(C)(=O)=O)=C1)C1=NN=N[N-]1	REAL300020166914	1	39	-1.0	-54.02	362.52	0.47	-53.55
CSCC[C@H](NC(=O)C(C)OCC1=CC=CC=C1C)C1=N[N-]N=N1	REAL300020166915	0	46	-1.0	-51.87	391.79	6.59	-45.28
CSCC[C@H](NC(=O)C(C)OCC1=CC=CC=C1C)C1=NN=N[N-]1	REAL300020166915	1	46	-1.0	-51.86	391.84	6.60	-45.26
CSCC[C@H](NC(=O)C1=C(C)C=C(SC)O1)C1=N[N-]N=N1	REAL300020166916	0	37	-1.0	-44.21	342.86	3.97	-40.24
CSCC[C@H](NC(=O)C1=C(C)C=C(SC)O1)C1=NN=N[N-]1	REAL300020166916	1	37	-1.0	-44.21	342.91	3.98	-40.23
CSCC[C@H](NC(=O)C=CC1=CC=CS1)C1=N[N-]N=N1	REAL300020166917	0	34	-1.0	-45.88	322.31	4.38	-41.50
CSCC[C@H](NC(=O)C=CC1=CC=CS1)C1=NN=N[N-]1	REAL300020166917	1	34	-1.0	-45.91	322.37	4.39	-41.52
COC(=O)C1(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)CC2(CCC2)C1	REAL300020166918	0	46	-1.0	-42.99	385.56	5.61	-37.38
COC(=O)C1(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)CC2(CCC2)C1	REAL300020166918	1	46	-1.0	-42.98	385.62	5.62	-37.36
CSCC[C@H](NC(=O)[C@@H]1CCCC[C@H]1C(F)(F)F)C1=N[N-]N=N1	REAL300020166919	0	42	-1.0	-44.08	358.91	4.93	-39.15
CSCC[C@H](NC(=O)[C@@H]1CCCC[C@H]1C(F)(F)F)C1=NN=N[N-]1	REAL300020166919	1	42	-1.0	-44.06	358.97	4.94	-39.12
CSCC[C@H](NC(=O)C1=CC=CC(C(C)C)=C1)C1=N[N-]N=N1	REAL300020166920	0	42	-1.0	-47.43	357.71	5.98	-41.45
CSCC[C@H](NC(=O)C1=CC=CC(C(C)C)=C1)C1=NN=N[N-]1	REAL300020166920	1	42	-1.0	-47.44	357.77	6.00	-41.44
CSCC[C@H](NC(=O)C1=CSC(C(F)(F)F)=C1)C1=N[N-]N=N1	REAL300020166921	0	33	-1.0	-45.41	329.41	4.19	-41.22
CSCC[C@H](NC(=O)C1=CSC(C(F)(F)F)=C1)C1=NN=N[N-]1	REAL300020166921	1	33	-1.0	-45.44	329.47	4.21	-41.23
CSCC[C@H](NC(=O)[C@@H]1CC[C@@H](C2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL300020166922	0	46	-1.0	-46.81	383.19	7.15	-39.66
CSCC[C@H](NC(=O)[C@@H]1CC[C@@H](C2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL300020166922	1	46	-1.0	-46.84	383.25	7.16	-39.68
COCCCN1C=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=N1	REAL300020166923	0	43	-1.0	-49.23	379.32	2.54	-46.69
COCCCN1C=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=N1	REAL300020166923	1	43	-1.0	-49.23	379.26	2.53	-46.70
CSCC[C@H](NC(=O)C1=CN(C2CC2)N=C1)C1=NN=N[N-]1	REAL300020166924	0	37	-1.0	-47.13	332.27	3.37	-43.76
CSCC[C@H](NC(=O)C1=CN(C2CC2)N=C1)C1=N[N-]N=N1	REAL300020166924	1	37	-1.0	-47.13	332.21	3.36	-43.77
CSCC[C@H](NC(=O)C1=NN(C2CCOCC2)C(C)=C1)C1=N[N-]N=N1	REAL300020166925	0	47	-1.0	-51.66	397.09	3.39	-48.27
CSCC[C@H](NC(=O)C1=NN(C2CCOCC2)C(C)=C1)C1=NN=N[N-]1	REAL300020166925	1	47	-1.0	-51.69	397.15	3.41	-48.28
CSCC[C@H](NC(=O)C1CC(=O)N(C2=CN(C)N=C2)C1)C1=NN=N[N-]1	REAL300020166926	0	44	-1.0	-47.36	383.12	2.87	-44.49
CSCC[C@H](NC(=O)C1CC(=O)N(C2=CN(C)N=C2)C1)C1=N[N-]N=N1	REAL300020166926	1	44	-1.0	-47.39	383.06	2.85	-44.54
CSCC[C@H](NC(=O)CC(C)C1=CC=NC=C1)C1=N[N-]N=N1	REAL300020166927	0	41	-1.0	-45.01	352.31	4.26	-40.75
CSCC[C@H](NC(=O)CC(C)C1=CC=NC=C1)C1=NN=N[N-]1	REAL300020166927	1	41	-1.0	-45.01	352.37	4.28	-40.73
CSCC[C@H](NC(=O)C1=C2C=CSC2=CN=C1)C1=NN=N[N-]1	REAL300020166928	0	35	-1.0	-46.39	325.49	3.63	-42.76
CSCC[C@H](NC(=O)C1=C2C=CSC2=CN=C1)C1=N[N-]N=N1	REAL300020166928	1	35	-1.0	-46.36	325.43	3.61	-42.75
CCOC1(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)CCOCC1	REAL300020166929	0	44	-1.0	-42.54	359.68	2.13	-40.41
CCOC1(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)CCOCC1	REAL300020166929	1	44	-1.0	-42.50	359.74	2.14	-40.36
CSCC[C@H](NC(=O)[C@H](C)OC1=CC=C(Cl)C=C1Cl)C1=N[N-]N=N1	REAL300020166930	0	40	-1.0	-49.86	380.47	6.31	-43.55
CSCC[C@H](NC(=O)[C@H](C)OC1=CC=C(Cl)C=C1Cl)C1=NN=N[N-]1	REAL300020166930	1	40	-1.0	-49.84	380.52	6.32	-43.52
CSCC[C@H](NC(=O)C1=CC=CC(CN2C=CN=N2)=C1)C1=NN=N[N-]1	REAL300020166931	0	42	-1.0	-51.27	375.22	4.51	-46.76
CSCC[C@H](NC(=O)C1=CC=CC(CN2C=CN=N2)=C1)C1=N[N-]N=N1	REAL300020166931	1	42	-1.0	-51.21	375.16	4.49	-46.72
CSCC[C@H](NC(=O)COCC1=CC=CC=C1C)C1=N[N-]N=N1	REAL300020166932	0	43	-1.0	-51.04	372.80	5.83	-45.21
CSCC[C@H](NC(=O)COCC1=CC=CC=C1C)C1=NN=N[N-]1	REAL300020166932	1	43	-1.0	-51.02	372.86	5.84	-45.18
CSCC[C@H](NC(=O)COCC1=CC=CC(C)=C1)C1=N[N-]N=N1	REAL300020166933	0	43	-1.0	-50.32	378.04	5.82	-44.50
CSCC[C@H](NC(=O)COCC1=CC=CC(C)=C1)C1=NN=N[N-]1	REAL300020166933	1	43	-1.0	-50.32	378.10	5.83	-44.49
CSCC[C@H](NC(=O)C1=C2SC=CC2=CC=N1)C1=NN=N[N-]1	REAL300020166934	0	35	-1.0	-50.22	329.38	3.75	-46.47
CSCC[C@H](NC(=O)C1=C2SC=CC2=CC=N1)C1=N[N-]N=N1	REAL300020166934	1	35	-1.0	-50.19	329.32	3.73	-46.46
CSCC[C@H](NC(=O)C1CC(=O)N(C2=CC=C(F)C(F)=C2)C1)C1=N[N-]N=N1	REAL300020166935	0	44	-1.0	-45.69	389.52	5.14	-40.55
CSCC[C@H](NC(=O)C1CC(=O)N(C2=CC=C(F)C(F)=C2)C1)C1=NN=N[N-]1	REAL300020166935	1	44	-1.0	-45.73	389.57	5.15	-40.58
CSCC[C@H](NC(=O)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2)C1=N[N-]N=N1	REAL300020166936	0	42	-1.0	-58.48	354.75	2.94	-55.54
CSCC[C@H](NC(=O)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2)C1=NN=N[N-]1	REAL300020166936	1	42	-1.0	-58.49	354.80	2.96	-55.53
CSCC[C@H](NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)C1=NN=N[N-]1	REAL300020166937	0	39	-2.0	-94.22	366.45	0.21	-94.01
CSCC[C@H](NC(=O)C1=CC=C([N-]S(C)(=O)=O)N=C1)C1=N[N-]N=N1	REAL300020166937	1	39	-2.0	-94.25	366.39	0.19	-94.06
CSCC[C@H](NC(=O)C1=CC=C(NS(C)(=O)=O)N=C1)C1=NN=N[N-]1	REAL300020166937	1	40	-1.0	-53.16	366.51	0.35	-52.81
CSCC[C@H](NC(=O)C1=CC=C(NS(C)(=O)=O)N=C1)C1=N[N-]N=N1	REAL300020166937	1	40	-1.0	-53.12	366.45	0.34	-52.78
CSCC[C@H](NC(=O)CN1C=CC(C(F)F)=N1)C1=N[N-]N=N1	REAL300020166938	0	36	-1.0	-53.98	336.97	3.04	-50.94
CSCC[C@H](NC(=O)CN1C=CC(C(F)F)=N1)C1=NN=N[N-]1	REAL300020166938	1	36	-1.0	-53.93	337.03	3.05	-50.88
CSCC[C@H](NC(=O)C1=CC=CC2=CC(=O)NC=C21)C1=N[N-]N=N1	REAL300020166939	0	39	-1.0	-47.86	344.46	3.30	-44.56
CSCC[C@H](NC(=O)C1=CC=CC2=CC(=O)NC=C21)C1=NN=N[N-]1	REAL300020166939	1	39	-1.0	-47.89	344.52	3.31	-44.58
CSCC[C@H](NC(=O)C1=CC(C)=CN2C=CN=C12)C1=N[N-]N=N1	REAL300020166940	0	39	-1.0	-53.96	344.50	5.88	-48.08
CSCC[C@H](NC(=O)C1=CC(C)=CN2C=CN=C12)C1=NN=N[N-]1	REAL300020166940	1	39	-1.0	-53.95	344.56	5.89	-48.06
CSCC[C@H](NC(=O)C1=CC=C(SC(F)(F)F)N=C1)C1=NN=N[N-]1	REAL300020166941	0	36	-1.0	-43.55	352.45	4.35	-39.20
CSCC[C@H](NC(=O)C1=CC=C(SC(F)(F)F)N=C1)C1=N[N-]N=N1	REAL300020166941	1	36	-1.0	-43.52	352.40	4.33	-39.19
CSCC[C@H](NC(=O)C1=CC=NC(N2CCOCC2)=N1)C1=NN=N[N-]1	REAL300020166942	0	44	-1.0	-45.37	378.34	2.57	-42.80
CSCC[C@H](NC(=O)C1=CC=NC(N2CCOCC2)=N1)C1=N[N-]N=N1	REAL300020166942	1	44	-1.0	-45.36	378.28	2.56	-42.80
CSCC[C@H](NC(=O)[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300020166943	0	50	-1.0	-49.16	414.74	2.89	-46.27
CSCC[C@H](NC(=O)[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300020166943	1	50	-1.0	-49.09	414.80	2.90	-46.19
CSCC[C@H](NC(=O)C1CCCC2(CC2)C1)C1=N[N-]N=N1	REAL300020166944	0	43	-1.0	-45.48	354.73	5.63	-39.85
CSCC[C@H](NC(=O)C1CCCC2(CC2)C1)C1=NN=N[N-]1	REAL300020166944	1	43	-1.0	-45.47	354.79	5.64	-39.83
CCCN1N=CC=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020166945	0	39	-1.0	-45.13	341.45	3.44	-41.69
CCCN1N=CC=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020166945	1	39	-1.0	-45.20	341.39	3.42	-41.78
CSCC[C@H](NC(=O)COCC1=CC=C(C)C=C1)C1=N[N-]N=N1	REAL300020166946	0	43	-1.0	-50.26	378.04	5.83	-44.43
CSCC[C@H](NC(=O)COCC1=CC=C(C)C=C1)C1=NN=N[N-]1	REAL300020166946	1	43	-1.0	-50.20	378.10	5.84	-44.36
CSCC[C@H](NC(=O)C1=CC(C(F)F)=CC=C1F)C1=N[N-]N=N1	REAL300020166947	0	36	-1.0	-52.82	336.23	5.09	-47.73
CSCC[C@H](NC(=O)C1=CC(C(F)F)=CC=C1F)C1=NN=N[N-]1	REAL300020166947	1	36	-1.0	-52.81	336.29	5.10	-47.71
CSCC[C@H](NC(=O)C1CCN(C(=O)C2=CC=CC=C2)C1)C1=N[N-]N=N1	REAL300020166948	0	47	-1.0	-58.91	397.08	4.97	-53.94
CSCC[C@H](NC(=O)C1CCN(C(=O)C2=CC=CC=C2)C1)C1=NN=N[N-]1	REAL300020166948	1	47	-1.0	-58.88	397.14	4.99	-53.89
CSCC[C@H](NC(=O)C1=C(F)N(C2=CC=CC=C2)N=C1)C1=NN=N[N-]1	REAL300020166949	0	40	-1.0	-49.55	365.01	5.20	-44.35
CSCC[C@H](NC(=O)C1=C(F)N(C2=CC=CC=C2)N=C1)C1=N[N-]N=N1	REAL300020166949	1	40	-1.0	-49.55	364.96	5.19	-44.36
CSCC[C@H](NC(=O)C1=C(Cl)C2=CC=CN=C2S1)C1=NN=N[N-]1	REAL300020166950	0	35	-1.0	-47.40	344.25	4.11	-43.29
CSCC[C@H](NC(=O)C1=C(Cl)C2=CC=CN=C2S1)C1=N[N-]N=N1	REAL300020166950	1	35	-1.0	-47.40	344.20	4.10	-43.30
COC1=CC(CCC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CC(OC)=C1O	REAL300020166951	0	48	-1.0	-48.26	413.04	2.57	-45.69
COC1=CC(CCC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CC(OC)=C1O	REAL300020166951	1	48	-1.0	-48.27	413.09	2.59	-45.68
CSCC[C@H](NC(=O)CC[C@@H]1CC[C@H](C(F)(F)F)O1)C1=N[N-]N=N1	REAL300020166952	0	43	-1.0	-45.77	379.85	4.00	-41.77
CSCC[C@H](NC(=O)CC[C@@H]1CC[C@H](C(F)(F)F)O1)C1=NN=N[N-]1	REAL300020166952	1	43	-1.0	-45.78	379.91	4.02	-41.76
COC1=CC=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1C	REAL300020166953	0	40	-1.0	-47.77	341.59	4.15	-43.62
COC1=CC=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1C	REAL300020166953	1	40	-1.0	-47.74	341.64	4.16	-43.58
CCC1=CNC(=O)C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020166954	0	39	-1.0	-58.53	342.63	2.72	-55.81
CCC1=CNC(=O)C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020166954	1	39	-1.0	-58.50	342.69	2.74	-55.76
CSCC[C@H](NC(=O)C(O)CC1=CC=CC=C1)C1=N[N-]N=N1	REAL300020166955	0	40	-1.0	-44.47	353.27	3.47	-41.00
CSCC[C@H](NC(=O)C(O)CC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020166955	1	40	-1.0	-44.48	353.32	3.48	-41.00
CSCC[C@H](NC(=O)C1=C(Cl)C=NN1C)C1=NN=N[N-]1	REAL300020166956	0	33	-1.0	-41.58	319.98	2.23	-39.35
CSCC[C@H](NC(=O)C1=C(Cl)C=NN1C)C1=N[N-]N=N1	REAL300020166956	1	33	-1.0	-41.57	319.92	2.21	-39.36
CSCC[C@H](NC(=O)C1=C(F)C=C(C)C=C1F)C1=N[N-]N=N1	REAL300020166957	0	36	-1.0	-51.12	335.21	4.71	-46.41
CSCC[C@H](NC(=O)C1=C(F)C=C(C)C=C1F)C1=NN=N[N-]1	REAL300020166957	1	36	-1.0	-51.12	335.26	4.72	-46.40
CSCC[C@H](NC(=O)CC1=CC(C)=CC(C)=C1)C1=N[N-]N=N1	REAL300020166958	0	42	-1.0	-47.44	364.97	6.08	-41.36
CSCC[C@H](NC(=O)CC1=CC(C)=CC(C)=C1)C1=NN=N[N-]1	REAL300020166958	1	42	-1.0	-47.42	365.03	6.10	-41.32
CSCC[C@H](NC(=O)C1=CC=C(OC2=CC=C(F)C=C2)N=C1)C1=NN=N[N-]1	REAL300020166959	0	43	-1.0	-44.42	390.76	4.51	-39.91
CSCC[C@H](NC(=O)C1=CC=C(OC2=CC=C(F)C=C2)N=C1)C1=N[N-]N=N1	REAL300020166959	1	43	-1.0	-44.40	390.70	4.50	-39.90
CSCC[C@H](NC(=O)C1=CC=CC(N2CCCC2)=C1)C1=N[N-]N=N1	REAL300020166960	0	45	-1.0	-48.63	375.35	4.59	-44.04
CSCC[C@H](NC(=O)C1=CC=CC(N2CCCC2)=C1)C1=NN=N[N-]1	REAL300020166960	1	45	-1.0	-48.60	375.41	4.61	-43.99
COC1=CC=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1OC(C)C	REAL300020166961	0	47	-1.0	-51.88	391.38	6.03	-45.85
COC1=CC=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1OC(C)C	REAL300020166961	1	47	-1.0	-51.92	391.44	6.05	-45.87
CSCC[C@H](NC(=O)C1=C2C=CC=C(Br)N2N=C1)C1=NN=N[N-]1	REAL300020166962	0	36	-1.0	-49.28	346.26	4.33	-44.95
CSCC[C@H](NC(=O)C1=C2C=CC=C(Br)N2N=C1)C1=N[N-]N=N1	REAL300020166962	1	36	-1.0	-49.27	346.20	4.31	-44.96
CSCC[C@H](NC(=O)C1=CC=C(OC2=CC=CC=C2F)N=C1)C1=NN=N[N-]1	REAL300020166963	0	43	-1.0	-47.12	391.09	4.45	-42.67
CSCC[C@H](NC(=O)C1=CC=C(OC2=CC=CC=C2F)N=C1)C1=N[N-]N=N1	REAL300020166963	1	43	-1.0	-47.10	391.03	4.43	-42.67
CSCC[C@H](NC(=O)C1=CC=C2C(=C1)NC(=O)N2C1CC1)C1=N[N-]N=N1	REAL300020166964	0	44	-1.0	-49.66	382.25	4.55	-45.11
CSCC[C@H](NC(=O)C1=CC=C2C(=C1)NC(=O)N2C1CC1)C1=NN=N[N-]1	REAL300020166964	1	44	-1.0	-49.67	382.31	4.57	-45.10
CSCC[C@H](NC(=O)C1=CC=C(NC2=CC=CN=C2)C=C1)C1=N[N-]N=N1	REAL300020166965	0	44	-1.0	-49.96	383.60	4.61	-45.35
CSCC[C@H](NC(=O)C1=CC=C(NC2=CC=CN=C2)C=C1)C1=NN=N[N-]1	REAL300020166965	1	44	-1.0	-49.95	383.66	4.62	-45.33
CSCC[C@H](NC(=O)C1=CC=NC2=C1CC(=O)N2)C1=N[N-]N=N1	REAL300020166966	0	37	-1.0	-46.51	333.21	1.74	-44.77
CSCC[C@H](NC(=O)C1=CC=NC2=C1CC(=O)N2)C1=NN=N[N-]1	REAL300020166966	1	37	-1.0	-46.56	333.27	1.75	-44.81
CSCC[C@H](NC(=O)C1=CC2=NC(C(F)(F)F)=CN2C=C1)C1=NN=N[N-]1	REAL300020166967	0	39	-1.0	-51.70	365.31	5.62	-46.08
CSCC[C@H](NC(=O)C1=CC2=NC(C(F)(F)F)=CN2C=C1)C1=N[N-]N=N1	REAL300020166967	1	39	-1.0	-51.69	365.26	5.61	-46.08
CSCC[C@H](NC(=O)[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21)C1=N[N-]N=N1	REAL300020166968	0	54	-1.0	-45.70	437.30	5.34	-40.36
CSCC[C@H](NC(=O)[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21)C1=NN=N[N-]1	REAL300020166968	1	54	-1.0	-45.66	437.36	5.35	-40.31
COC(=O)C=CC1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)O1	REAL300020166969	0	40	-1.0	-45.74	372.28	4.29	-41.45
COC(=O)C=CC1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)O1	REAL300020166969	1	40	-1.0	-45.75	372.33	4.31	-41.44
CSCC[C@H](NC(=O)C=CC1=CC=C(C(C)(C)C)C=C1)C1=N[N-]N=N1	REAL300020166970	0	49	-1.0	-46.11	408.16	7.60	-38.51
CSCC[C@H](NC(=O)C=CC1=CC=C(C(C)(C)C)C=C1)C1=NN=N[N-]1	REAL300020166970	1	49	-1.0	-46.09	408.22	7.61	-38.48
CSCC[C@H](NC(=O)C1=C(F)C=CC(F)=C1Cl)C1=N[N-]N=N1	REAL300020166971	0	33	-1.0	-47.80	329.16	4.46	-43.34
CSCC[C@H](NC(=O)C1=C(F)C=CC(F)=C1Cl)C1=NN=N[N-]1	REAL300020166971	1	33	-1.0	-47.83	329.21	4.47	-43.36
CCN1N=CC(Cl)=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020166972	0	36	-1.0	-41.54	341.79	3.10	-38.44
CCN1N=CC(Cl)=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020166972	1	36	-1.0	-41.55	341.73	3.09	-38.46
COC(=O)C1=C(C)C=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)O1	REAL300020166973	0	39	-1.0	-42.92	356.57	3.49	-39.43
COC(=O)C1=C(C)C=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)O1	REAL300020166973	1	39	-1.0	-42.91	356.62	3.51	-39.40
COC(=O)C1=CN(CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)N=C1	REAL300020166974	0	39	-1.0	-52.16	359.20	2.90	-49.26
COC(=O)C1=CN(CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)N=C1	REAL300020166974	1	39	-1.0	-52.15	359.14	2.88	-49.27
CSCC[C@H](NC(=O)C[C@H](C)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300020166975	0	49	-1.0	-51.31	408.01	2.82	-48.49
CSCC[C@H](NC(=O)C[C@H](C)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300020166975	1	49	-1.0	-51.28	408.07	2.83	-48.45
CSCC[C@H](NC(=O)C1=CCC(NC(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300020166976	0	51	-1.0	-46.96	424.09	3.51	-43.45
CSCC[C@H](NC(=O)C1=CCC(NC(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300020166976	1	51	-1.0	-46.97	424.15	3.53	-43.44
CSCC[C@H](NC(=O)C1=CN(C)N=C1C1=CC=CO1)C1=NN=N[N-]1	REAL300020166977	0	40	-1.0	-55.12	361.23	4.62	-50.50
CSCC[C@H](NC(=O)C1=CN(C)N=C1C1=CC=CO1)C1=N[N-]N=N1	REAL300020166977	1	40	-1.0	-55.05	361.18	4.60	-50.45
CSCC[C@H](NC(=O)C=CC1=CC=C(C(N)=O)O1)C1=N[N-]N=N1	REAL300020166978	0	38	-1.0	-46.99	354.63	0.37	-46.62
CSCC[C@H](NC(=O)C=CC1=CC=C(C(N)=O)O1)C1=NN=N[N-]1	REAL300020166978	1	38	-1.0	-47.03	354.69	0.38	-46.65
CSCC[C@H](NC(=O)C1=C(C)C=C(S(N)(=O)=O)O1)C1=N[N-]N=N1	REAL300020166979	0	38	-1.0	-47.71	356.26	-2.21	-49.92
CSCC[C@H](NC(=O)C1=C(C)C=C(S(N)(=O)=O)O1)C1=NN=N[N-]1	REAL300020166979	1	38	-1.0	-47.72	356.32	-2.19	-49.91
CSCC[C@H](NC(=O)C1=CC(SC)=CC=C1O)C1=N[N-]N=N1	REAL300020166980	0	38	-1.0	-47.34	346.51	3.63	-43.71
CSCC[C@H](NC(=O)C1=CC(SC)=CC=C1O)C1=NN=N[N-]1	REAL300020166980	1	38	-1.0	-47.30	346.57	3.64	-43.66
CCCCC(C(=O)N[C@@H](CCSC)C1=N[N-]N=N1)C(C)C	REAL300020166981	0	47	-1.0	-44.89	372.80	5.91	-38.98
CCCCC(C(=O)N[C@@H](CCSC)C1=NN=N[N-]1)C(C)C	REAL300020166981	1	47	-1.0	-44.88	372.85	5.92	-38.96
CSCC[C@H](NC(=O)[C@H]1[C@H]2C[C@H]2CN1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300020166982	0	51	-1.0	-54.89	417.24	5.03	-49.86
CSCC[C@H](NC(=O)[C@H]1[C@H]2C[C@H]2CN1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300020166982	1	51	-1.0	-54.90	417.29	5.04	-49.86
CSCC[C@H](NC(=O)C1=CN(C)N=C1C1=CC=C(C)O1)C1=NN=N[N-]1	REAL300020166983	0	43	-1.0	-56.09	383.17	5.44	-50.65
CSCC[C@H](NC(=O)C1=CN(C)N=C1C1=CC=C(C)O1)C1=N[N-]N=N1	REAL300020166983	1	43	-1.0	-56.13	383.12	5.42	-50.71
CSCC[C@H](NC(=O)C1(C2=CC=CC=C2)CCCCCC1)C1=N[N-]N=N1	REAL300020166984	0	52	-1.0	-51.11	400.46	7.92	-43.19
CSCC[C@H](NC(=O)C1(C2=CC=CC=C2)CCCCCC1)C1=NN=N[N-]1	REAL300020166984	1	52	-1.0	-51.13	400.51	7.94	-43.19
CSCC[C@H](NC(=O)C(=O)NC1=C(F)C=CC=C1F)C1=N[N-]N=N1	REAL300020166985	0	37	-1.0	-47.05	351.75	2.56	-44.49
CSCC[C@H](NC(=O)C(=O)NC1=C(F)C=CC=C1F)C1=NN=N[N-]1	REAL300020166985	1	37	-1.0	-47.06	351.81	2.58	-44.48
CSCC[C@H](NC(=O)CC1=C(C)N(C2=CC=CC=C2)C(C)=C1)C1=N[N-]N=N1	REAL300020166986	0	50	-1.0	-50.45	429.69	8.80	-41.65
CSCC[C@H](NC(=O)CC1=C(C)N(C2=CC=CC=C2)C(C)=C1)C1=NN=N[N-]1	REAL300020166986	1	50	-1.0	-50.42	429.75	8.81	-41.61
CSCC[C@H](NC(=O)C1CCC2(CC2)CC1)C1=N[N-]N=N1	REAL300020166987	0	43	-1.0	-44.75	354.68	5.63	-39.12
CSCC[C@H](NC(=O)C1CCC2(CC2)CC1)C1=NN=N[N-]1	REAL300020166987	1	43	-1.0	-44.79	354.74	5.64	-39.15
CSCC[C@H](NC(=O)C1CCC2=CC(F)=CC=C21)C1=N[N-]N=N1	REAL300020166988	0	40	-1.0	-43.06	349.47	5.93	-37.13
CSCC[C@H](NC(=O)C1CCC2=CC(F)=CC=C21)C1=NN=N[N-]1	REAL300020166988	1	40	-1.0	-43.05	349.53	5.94	-37.11
CSCC[C@H](NC(=O)[C@@H]1C[C@H]1C1=CC=C(C)C(C)=C1)C1=N[N-]N=N1	REAL300020166989	0	46	-1.0	-46.18	388.50	7.31	-38.87
CSCC[C@H](NC(=O)[C@@H]1C[C@H]1C1=CC=C(C)C(C)=C1)C1=NN=N[N-]1	REAL300020166989	1	46	-1.0	-46.21	388.55	7.33	-38.88
CCOCCN1C=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=N1	REAL300020166990	0	43	-1.0	-46.30	379.67	2.73	-43.57
CCOCCN1C=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=N1	REAL300020166990	1	43	-1.0	-46.31	379.62	2.71	-43.60
CSCC[C@H](NC(=O)C1=C(C(F)(F)F)SC=C1)C1=N[N-]N=N1	REAL300020166991	0	33	-1.0	-48.98	322.35	4.18	-44.80
CSCC[C@H](NC(=O)C1=C(C(F)(F)F)SC=C1)C1=NN=N[N-]1	REAL300020166991	1	33	-1.0	-48.92	322.41	4.20	-44.72
CSCC[C@H](NC(=O)C1=CC(C)=NN1C1CCOCC1)C1=N[N-]N=N1	REAL300020166992	0	47	-1.0	-44.09	393.88	3.45	-40.64
CSCC[C@H](NC(=O)C1=CC(C)=NN1C1CCOCC1)C1=NN=N[N-]1	REAL300020166992	1	47	-1.0	-44.12	393.93	3.47	-40.65
CSCC[C@H](NC(=O)C(C)(C)NC(=O)C(C)(C)NC(C)=O)C1=N[N-]N=N1	REAL300020166993	0	52	-1.0	-41.26	423.22	0.98	-40.28
CSCC[C@H](NC(=O)C(C)(C)NC(=O)C(C)(C)NC(C)=O)C1=NN=N[N-]1	REAL300020166993	1	52	-1.0	-41.24	423.28	0.99	-40.25
CSCC[C@H](NC(=O)C1=C(Cl)N(C)N=C1Cl)C1=NN=N[N-]1	REAL300020166994	0	33	-1.0	-46.80	337.50	2.57	-44.23
CSCC[C@H](NC(=O)C1=C(Cl)N(C)N=C1Cl)C1=N[N-]N=N1	REAL300020166994	1	33	-1.0	-46.81	337.44	2.55	-44.26
CSCC[C@H](NC(=O)C1CCCC1CC1=CC=CC=C1)C1=N[N-]N=N1	REAL300020166995	0	49	-1.0	-48.55	406.69	7.94	-40.61
CSCC[C@H](NC(=O)C1CCCC1CC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020166995	1	49	-1.0	-48.57	406.75	7.95	-40.62
CSCC[C@H](NC(=O)C1=CC=NN1CCC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020166996	0	46	-1.0	-47.61	401.29	6.40	-41.21
CSCC[C@H](NC(=O)C1=CC=NN1CCC1=CC=CC=C1)C1=N[N-]N=N1	REAL300020166996	1	46	-1.0	-47.66	401.23	6.39	-41.27
CSCC[C@H](NC(=O)C1=NN(C)C=C1Cl)C1=NN=N[N-]1	REAL300020166997	0	33	-1.0	-50.43	318.32	2.41	-48.02
CSCC[C@H](NC(=O)C1=NN(C)C=C1Cl)C1=N[N-]N=N1	REAL300020166997	1	33	-1.0	-50.44	318.27	2.39	-48.05
CSCC[C@H](NC(=O)C1(C2CCCC2)CCNC1=O)C1=N[N-]N=N1	REAL300020166998	0	47	-1.0	-57.71	371.96	2.40	-55.31
CSCC[C@H](NC(=O)C1(C2CCCC2)CCNC1=O)C1=NN=N[N-]1	REAL300020166998	1	47	-1.0	-57.71	372.01	2.42	-55.29
CCOC1=CC=CC(C=CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020166999	0	44	-1.0	-48.23	383.40	5.50	-42.73
CCOC1=CC=CC(C=CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020166999	1	44	-1.0	-48.27	383.46	5.51	-42.76
COC1=CC=C(C=CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020167000	0	41	-1.0	-47.25	361.48	4.58	-42.67
COC1=CC=C(C=CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020167000	1	41	-1.0	-47.28	361.54	4.59	-42.69
CSCC[C@H](NC(=O)CC1=CC=C(F)C(Cl)=C1)C1=N[N-]N=N1	REAL300020167001	0	36	-1.0	-47.82	344.76	5.32	-42.50
CSCC[C@H](NC(=O)CC1=CC=C(F)C(Cl)=C1)C1=NN=N[N-]1	REAL300020167001	1	36	-1.0	-47.81	344.81	5.33	-42.48
CSCC[C@H](NC(=O)C1=C(Cl)SC=C1)C1=N[N-]N=N1	REAL300020167002	0	30	-1.0	-47.13	302.55	3.61	-43.52
CSCC[C@H](NC(=O)C1=C(Cl)SC=C1)C1=NN=N[N-]1	REAL300020167002	1	30	-1.0	-47.14	302.60	3.62	-43.52
CSCC[C@H](NC(=O)C1(C2=CC=CC=C2)CC1(C)C)C1=N[N-]N=N1	REAL300020167003	0	46	-1.0	-45.70	382.85	6.88	-38.82
CSCC[C@H](NC(=O)C1(C2=CC=CC=C2)CC1(C)C)C1=NN=N[N-]1	REAL300020167003	1	46	-1.0	-45.71	382.91	6.89	-38.82
CSCC[C@H](NC(=O)CCOC1=CC=C(Cl)C(F)=C1)C1=N[N-]N=N1	REAL300020167004	0	40	-1.0	-45.80	374.62	4.96	-40.84
CSCC[C@H](NC(=O)CCOC1=CC=C(Cl)C(F)=C1)C1=NN=N[N-]1	REAL300020167004	1	40	-1.0	-45.85	374.68	4.97	-40.88
CSCC[C@H](NC(=O)C=C(C)C1=CC=CS1)C1=N[N-]N=N1	REAL300020167005	0	37	-1.0	-44.13	340.65	5.14	-38.99
CSCC[C@H](NC(=O)C=C(C)C1=CC=CS1)C1=NN=N[N-]1	REAL300020167005	1	37	-1.0	-44.15	340.71	5.15	-39.00
CSCC[C@H](NC(=O)C1=CSC=C1C(F)(F)F)C1=N[N-]N=N1	REAL300020167006	0	33	-1.0	-50.73	322.03	4.08	-46.65
CSCC[C@H](NC(=O)C1=CSC=C1C(F)(F)F)C1=NN=N[N-]1	REAL300020167006	1	33	-1.0	-50.76	322.09	4.10	-46.66
CCCC(C(=O)N[C@@H](CCSC)C1=N[N-]N=N1)C1=CC=C(Cl)C=C1	REAL300020167007	0	45	-1.0	-43.97	395.89	7.28	-36.69
CCCC(C(=O)N[C@@H](CCSC)C1=NN=N[N-]1)C1=CC=C(Cl)C=C1	REAL300020167007	1	45	-1.0	-44.00	395.94	7.30	-36.70
CSCC[C@H](NC(=O)C1=C(C)N(C2CCOCC2)N=C1C)C1=N[N-]N=N1	REAL300020167008	0	50	-1.0	-46.43	419.93	3.84	-42.59
CSCC[C@H](NC(=O)C1=C(C)N(C2CCOCC2)N=C1C)C1=NN=N[N-]1	REAL300020167008	1	50	-1.0	-46.44	419.99	3.86	-42.58
CCC(NC1=CC=CN=C1Cl)C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020167009	0	43	-1.0	-49.62	373.61	2.90	-46.72
CCC(NC1=CC=CN=C1Cl)C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020167009	1	43	-1.0	-49.59	373.56	2.89	-46.70
CSCC[C@H](NC(=O)C1CS(=O)(=O)CC1C(F)(F)F)C1=N[N-]N=N1	REAL300020167010	0	39	-1.0	-54.14	345.75	0.76	-53.38
CSCC[C@H](NC(=O)C1CS(=O)(=O)CC1C(F)(F)F)C1=NN=N[N-]1	REAL300020167010	1	39	-1.0	-54.15	345.81	0.77	-53.38
CSCC[C@H](NC(=O)C1(C(=O)OC(C)(C)C)CCCCCC1)C1=N[N-]N=N1	REAL300020167011	0	57	-1.0	-47.58	423.70	7.41	-40.17
CSCC[C@H](NC(=O)C1(C(=O)OC(C)(C)C)CCCCCC1)C1=NN=N[N-]1	REAL300020167011	1	57	-1.0	-47.58	423.76	7.42	-40.16
CSCC[C@H](NC(=O)CCC1=CN(C)N=N1)C1=N[N-]N=N1	REAL300020167012	0	38	-1.0	-52.53	340.34	2.04	-50.49
CSCC[C@H](NC(=O)CCC1=CN(C)N=N1)C1=NN=N[N-]1	REAL300020167012	1	38	-1.0	-52.51	340.40	2.06	-50.45
CCOCCOCCCC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020167013	0	46	-1.0	-51.07	394.65	2.81	-48.26
CCOCCOCCCC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020167013	1	46	-1.0	-51.04	394.71	2.82	-48.22
COC1=CC=CC(OC(F)(F)F)=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020167014	0	41	-1.0	-53.99	376.16	3.12	-50.87
COC1=CC=CC(OC(F)(F)F)=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020167014	1	41	-1.0	-54.00	376.21	3.14	-50.86
CSCC[C@H](NC(=O)C(F)(F)N1C=C(C2=CC=CC=C2)N=N1)C1=N[N-]N=N1	REAL300020167015	0	42	-1.0	-50.09	386.25	4.47	-45.62
CSCC[C@H](NC(=O)C(F)(F)N1C=C(C2=CC=CC=C2)N=N1)C1=NN=N[N-]1	REAL300020167015	1	42	-1.0	-50.12	386.31	4.48	-45.64
COC1=CC=CC(C(OC)C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020167016	0	44	-1.0	-49.43	383.99	4.19	-45.24
COC1=CC=CC(C(OC)C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020167016	1	44	-1.0	-49.44	384.04	4.21	-45.23
COCCOCCOCCCC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020167017	0	50	-1.0	-52.70	428.28	2.17	-50.53
COCCOCCOCCCC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020167017	1	50	-1.0	-52.71	428.33	2.19	-50.52
COC1=CC2=CC=C(C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)C=C2C=C1OC	REAL300020167018	0	47	-1.0	-49.78	401.97	5.59	-44.19
COC1=CC2=CC=C(C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)C=C2C=C1OC	REAL300020167018	1	47	-1.0	-49.76	402.03	5.61	-44.15
CSCC[C@H](NC(=O)C1=C(C)OC(SC)=C1)C1=N[N-]N=N1	REAL300020167019	0	37	-1.0	-44.37	343.62	4.07	-40.30
CSCC[C@H](NC(=O)C1=C(C)OC(SC)=C1)C1=NN=N[N-]1	REAL300020167019	1	37	-1.0	-44.38	343.68	4.09	-40.29
CSCC[C@H](NC(=O)CC1(N2C=NN=N2)CCOCC1)C1=NN=N[N-]1	REAL300020167020	0	45	-1.0	-61.63	371.16	2.82	-58.81
CSCC[C@H](NC(=O)CC1(N2C=NN=N2)CCOCC1)C1=N[N-]N=N1	REAL300020167020	1	45	-1.0	-61.66	371.10	2.80	-58.86
CSCC[C@H](NC(=O)C1=CC(Cl)=NO1)C1=NN=N[N-]1	REAL300020167021	0	29	-1.0	-39.24	293.39	1.94	-37.30
CSCC[C@H](NC(=O)C1=CC(Cl)=NO1)C1=N[N-]N=N1	REAL300020167021	1	29	-1.0	-39.25	293.33	1.92	-37.33
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=N1	REAL300020167022	0	46	-2.0	-120.43	400.01	5.10	-115.33
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=N1	REAL300020167022	1	46	-2.0	-120.39	400.06	5.11	-115.28
CSCC[C@H](NC(=O)C1=CC(NC(C)=O)=CNC1=O)C1=N[N-]N=N1	REAL300020167023	0	40	-1.0	-65.52	359.58	0.21	-65.31
CSCC[C@H](NC(=O)C1=CC(NC(C)=O)=CNC1=O)C1=NN=N[N-]1	REAL300020167023	1	40	-1.0	-65.50	359.63	0.22	-65.28
CSCC[C@H](NC(=O)C1=C(N2C=CC=C2)SC(C)=C1)C1=N[N-]N=N1	REAL300020167024	0	41	-1.0	-48.43	371.85	6.97	-41.46
CSCC[C@H](NC(=O)C1=C(N2C=CC=C2)SC(C)=C1)C1=NN=N[N-]1	REAL300020167024	1	41	-1.0	-48.44	371.90	6.98	-41.46
CSCC[C@H](NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1=NN=N[N-]1	REAL300020167025	0	39	-2.0	-104.92	354.53	3.87	-101.05
CSCC[C@H](NC(=O)C1=CC=CC(NC2=NN=N[N-]2)=C1)C1=N[N-]N=N1	REAL300020167025	1	39	-2.0	-104.99	354.47	3.86	-101.13
CSCC[C@H](NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1=NN=N[N-]1	REAL300020167025	1	39	-2.0	-104.76	354.63	3.88	-100.88
CSCC[C@H](NC(=O)C1=CC=CC(NC2=N[N-]N=N2)=C1)C1=N[N-]N=N1	REAL300020167025	1	39	-2.0	-104.79	354.57	3.87	-100.92
CSCC[C@H](NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=N[N-]N=N1	REAL300020167026	0	36	-2.0	-82.48	340.69	0.74	-81.74
CSCC[C@H](NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=N[N-]N=N1	REAL300020167026	1	36	-2.0	-82.42	340.76	0.74	-81.68
CSCC[C@H](NC(=O)C1=CC=C(C2=N[N-]N=N2)C=N1)C1=NN=N[N-]1	REAL300020167026	1	36	-2.0	-82.47	340.75	0.75	-81.72
CSCC[C@H](NC(=O)C1=CC=C(C2=NN=N[N-]2)C=N1)C1=NN=N[N-]1	REAL300020167026	1	36	-2.0	-82.42	340.82	0.75	-81.67
CSCC[C@H](NC(=O)COCC1=NC(C2=CC=CC=C2)=NO1)C1=NN=N[N-]1	REAL300020167027	0	45	-1.0	-57.05	407.59	3.81	-53.24
CSCC[C@H](NC(=O)COCC1=NC(C2=CC=CC=C2)=NO1)C1=N[N-]N=N1	REAL300020167027	1	45	-1.0	-57.06	407.53	3.80	-53.26
CSCC[C@H](NC(=O)C1=C(C(F)(F)F)C=NN1)C1=N[N-]N=N1	REAL300020167028	0	33	-1.0	-44.89	315.60	1.62	-43.27
CSCC[C@H](NC(=O)C1=C(C(F)(F)F)C=NN1)C1=NN=N[N-]1	REAL300020167028	1	33	-1.0	-44.89	315.65	1.63	-43.26
CSCC[C@H](NC(=O)CC1=CC(C2CC2)=NO1)C1=N[N-]N=N1	REAL300020167029	0	39	-1.0	-48.49	349.25	4.44	-44.05
CSCC[C@H](NC(=O)CC1=CC(C2CC2)=NO1)C1=NN=N[N-]1	REAL300020167029	1	39	-1.0	-48.49	349.30	4.45	-44.04
CSCC[C@H](NC(=O)CCCN1C(=O)[N-]NC1=O)C1=N[N-]N=N1	REAL300020167030	0	39	-2.0	-95.20	356.18	-0.73	-95.93
CSCC[C@H](NC(=O)CCCN1C(=O)[N-]NC1=O)C1=NN=N[N-]1	REAL300020167030	1	39	-2.0	-95.17	356.24	-0.72	-95.89
CSCC[C@H](NC(=O)C1=CC=C(NC2=NN(C)C=C2)C=C1)C1=NN=N[N-]1	REAL300020167031	0	45	-1.0	-51.62	392.48	5.62	-46.00
CSCC[C@H](NC(=O)C1=CC=C(NC2=NN(C)C=C2)C=C1)C1=N[N-]N=N1	REAL300020167031	1	45	-1.0	-51.63	392.42	5.60	-46.03
CSCC[C@H](NC(=O)C1(C2=CC(C)=NO2)CC1)C1=N[N-]N=N1	REAL300020167032	0	39	-1.0	-43.77	349.64	4.28	-39.49
CSCC[C@H](NC(=O)C1(C2=CC(C)=NO2)CC1)C1=NN=N[N-]1	REAL300020167032	1	39	-1.0	-43.79	349.69	4.30	-39.49
CSCC[C@H](NC(=O)CC1CCN(CC(F)(F)F)CC1)C1=N[N-]N=N1	REAL300020167033	0	47	-1.0	-48.31	386.37	3.24	-45.07
CSCC[C@H](NC(=O)CC1CCN(CC(F)(F)F)CC1)C1=NN=N[N-]1	REAL300020167033	1	47	-1.0	-48.33	386.43	3.25	-45.08
CSCC[C@H](NC(=O)C1CCCC2CCC[N@@H+]21)C1=NN=N[N-]1	REAL300020167034	0	46	0.0	-48.58	362.20	5.37	-43.21
CSCC[C@H](NC(=O)C1CCCC2CCC[N@H+]21)C1=NN=N[N-]1	REAL300020167034	1	46	0.0	-50.59	362.37	5.35	-45.24
CSCC[C@H](NC(=O)C1(C(=O)OC(C)(C)C)C(C)(C)C1(C)C)C1=N[N-]N=N1	REAL300020167035	0	57	-1.0	-46.57	437.01	7.43	-39.14
CSCC[C@H](NC(=O)C1(C(=O)OC(C)(C)C)C(C)(C)C1(C)C)C1=NN=N[N-]1	REAL300020167035	1	57	-1.0	-46.55	437.06	7.44	-39.11
CSCC[C@H](NC(=O)C1CN(C)CC(C)O1)C1=N[N-]N=N1	REAL300020167036	0	42	-1.0	-47.88	353.50	1.27	-46.61
CSCC[C@H](NC(=O)C1CN(C)CC(C)O1)C1=NN=N[N-]1	REAL300020167036	1	42	-1.0	-47.90	353.56	1.29	-46.61
CSCC[C@H](NC(=O)C1C[N@H+](C)CC(C)O1)C1=NN=N[N-]1	REAL300020167036	1	43	0.0	-68.56	349.24	3.54	-65.02
CSCC[C@H](NC(=O)C1C[N@@H+](C)CC(C)O1)C1=NN=N[N-]1	REAL300020167036	1	43	0.0	-74.03	356.35	3.70	-70.33
CSCC[C@H](NC(=O)C1=C2C(=CN=C1)N=CN2C)C1=N[N-]N=N1	REAL300020167037	0	38	-1.0	-46.07	335.54	3.48	-42.59
CSCC[C@H](NC(=O)C1=C2C(=CN=C1)N=CN2C)C1=NN=N[N-]1	REAL300020167037	1	38	-1.0	-46.10	335.61	3.49	-42.61
CSCC[C@H](NC(=O)CCC1CCC[N@@H+]1C)C1=N[N-]N=N1	REAL300020167038	0	45	0.0	-62.06	359.68	4.53	-57.53
CSCC[C@H](NC(=O)CCC1CCC[N@H+]1C)C1=N[N-]N=N1	REAL300020167038	1	45	0.0	-60.07	359.63	4.52	-55.55
CSCC[C@H](NC(=O)CCC1CCC[N@@H+]1C)C1=NN=N[N-]1	REAL300020167038	1	45	0.0	-62.03	359.74	4.54	-57.49
CSCC[C@H](NC(=O)CCC1CCC[N@H+]1C)C1=NN=N[N-]1	REAL300020167038	1	45	0.0	-60.06	359.68	4.53	-55.53
CSCC[C@H](NC(=O)C=CCN1C=NC=N1)C1=NN=N[N-]1	REAL300020167039	0	36	-1.0	-52.03	332.50	4.84	-47.19
CSCC[C@H](NC(=O)C=CCN1C=NC=N1)C1=N[N-]N=N1	REAL300020167039	1	36	-1.0	-52.02	332.44	4.82	-47.20
CSCC[C@H](NC(=O)C1CCCN1C1=NC=CC=N1)C1=NN=N[N-]1	REAL300020167040	0	43	-1.0	-47.72	362.60	2.78	-44.94
CSCC[C@H](NC(=O)C1CCCN1C1=NC=CC=N1)C1=N[N-]N=N1	REAL300020167040	1	43	-1.0	-47.78	362.55	2.78	-45.00
CSCC[C@H](NC(=O)[C@@H]1C[C@H]1C1=CNC=N1)C1=N[N-]N=N1	REAL300020167041	0	37	-1.0	-52.58	331.38	3.71	-48.87
CSCC[C@H](NC(=O)[C@@H]1C[C@H]1C1=CNC=N1)C1=NN=N[N-]1	REAL300020167041	1	37	-1.0	-52.58	331.44	3.73	-48.85
CSCC[C@H](NC(=O)C1=CC=C(NN2C=CN=C2)C=C1)C1=N[N-]N=N1	REAL300020167042	0	42	-1.0	-49.32	369.33	5.28	-44.04
CSCC[C@H](NC(=O)C1=CC=C(NN2C=CN=C2)C=C1)C1=NN=N[N-]1	REAL300020167042	1	42	-1.0	-49.29	369.39	5.30	-43.99
CSCC[C@H](NC(=O)CCC1=NN=C(C2CC2)O1)C1=N[N-]N=N1	REAL300020167043	0	41	-1.0	-46.47	367.06	0.14	-46.33
CSCC[C@H](NC(=O)CCC1=NN=C(C2CC2)O1)C1=NN=N[N-]1	REAL300020167043	1	41	-1.0	-46.47	367.12	0.15	-46.32
CSCC[C@H](NC(=O)C1=CN(C(C)C)N=C1C1CCOCC1)C1=N[N-]N=N1	REAL300020167044	0	53	-1.0	-48.85	434.86	4.63	-44.22
CSCC[C@H](NC(=O)C1=CN(C(C)C)N=C1C1CCOCC1)C1=NN=N[N-]1	REAL300020167044	1	53	-1.0	-48.84	434.92	4.64	-44.20
CSCC[C@H](NC(=O)C1=CN(CCO)N=C1C1CCOCC1)C1=N[N-]N=N1	REAL300020167045	0	51	-1.0	-49.43	427.64	0.75	-48.68
CSCC[C@H](NC(=O)C1=CN(CCO)N=C1C1CCOCC1)C1=NN=N[N-]1	REAL300020167045	1	51	-1.0	-49.41	427.70	0.77	-48.64
CSCC[C@H](NC(=O)C1=CC=NC(NC(C)=O)=C1)C1=NN=N[N-]1	REAL300020167046	0	39	-1.0	-50.52	350.05	2.69	-47.83
CSCC[C@H](NC(=O)C1=CC=NC(NC(C)=O)=C1)C1=N[N-]N=N1	REAL300020167046	1	39	-1.0	-50.49	350.00	2.67	-47.82
CSCC[C@H](NC(=O)C1=CC=CC(NCC(C)(C)C)=C1C)C1=N[N-]N=N1	REAL300020167047	0	53	-1.0	-46.42	423.65	6.67	-39.75
CSCC[C@H](NC(=O)C1=CC=CC(NCC(C)(C)C)=C1C)C1=NN=N[N-]1	REAL300020167047	1	53	-1.0	-46.40	423.71	6.68	-39.72
CSCC[C@H](NC(=O)C1=CC=CC(CN2C=NC=N2)=C1)C1=NN=N[N-]1	REAL300020167048	0	42	-1.0	-50.38	376.13	7.17	-43.21
CSCC[C@H](NC(=O)C1=CC=CC(CN2C=NC=N2)=C1)C1=N[N-]N=N1	REAL300020167048	1	42	-1.0	-50.36	376.08	7.16	-43.20
CSCC[C@H](NC(=O)C1=NC=C2C(F)=CC=CN21)C1=NN=N[N-]1	REAL300020167049	0	36	-1.0	-46.98	331.34	4.69	-42.29
CSCC[C@H](NC(=O)C1=NC=C2C(F)=CC=CN21)C1=N[N-]N=N1	REAL300020167049	1	36	-1.0	-46.99	331.28	4.68	-42.31
CSCC[C@H](NC(=O)C=CC=C(Cl)Cl)C1=N[N-]N=N1	REAL300020167050	0	31	-1.0	-45.27	318.87	4.03	-41.24
CSCC[C@H](NC(=O)C=CC=C(Cl)Cl)C1=NN=N[N-]1	REAL300020167050	1	31	-1.0	-45.27	318.93	4.04	-41.23
CSCC[C@H](NC(=O)C1=CC(CO)=C(C)O1)C1=N[N-]N=N1	REAL300020167051	0	37	-1.0	-50.41	335.30	0.29	-50.12
CSCC[C@H](NC(=O)C1=CC(CO)=C(C)O1)C1=NN=N[N-]1	REAL300020167051	1	37	-1.0	-50.37	335.35	0.31	-50.06
CSCC[C@H](NC(=O)C1CCCCN(C)C1=O)C1=N[N-]N=N1	REAL300020167052	0	43	-1.0	-45.51	338.18	3.38	-42.13
CSCC[C@H](NC(=O)C1CCCCN(C)C1=O)C1=NN=N[N-]1	REAL300020167052	1	43	-1.0	-45.55	338.23	3.40	-42.15
CSCC[C@H](NC(=O)[C@@H]1CSC(C2=CC=CC=C2)=N1)C1=N[N-]N=N1	REAL300020167053	0	41	-1.0	-49.28	373.77	4.00	-45.28
CSCC[C@H](NC(=O)[C@@H]1CSC(C2=CC=CC=C2)=N1)C1=NN=N[N-]1	REAL300020167053	1	41	-1.0	-49.31	373.83	4.01	-45.30
CSCC[C@H](NC(=O)C1=CC2=C(CCCC2O)NC1=O)C1=N[N-]N=N1	REAL300020167054	0	44	-1.0	-55.66	370.27	0.55	-55.11
CSCC[C@H](NC(=O)C1=CC2=C(CCCC2O)NC1=O)C1=NN=N[N-]1	REAL300020167054	1	44	-1.0	-55.67	370.33	0.56	-55.11
CSCC[C@H](NC(=O)CCN1C=NC2=C(N)N=CN=C21)C1=NN=N[N-]1	REAL300020167055	0	42	-1.0	-46.73	375.71	4.14	-42.59
CSCC[C@H](NC(=O)CCN1C=NC2=C(N)N=CN=C21)C1=N[N-]N=N1	REAL300020167055	1	42	-1.0	-46.74	375.65	4.12	-42.62
CSCC[C@H](NC(=O)C1=CC2=CC(O)=C(O)C=C2S1)C1=N[N-]N=N1	REAL300020167056	0	38	-1.0	-47.31	358.36	0.58	-46.73
CSCC[C@H](NC(=O)C1=CC2=CC(O)=C(O)C=C2S1)C1=NN=N[N-]1	REAL300020167056	1	38	-1.0	-47.31	358.42	0.59	-46.72
CSCC[C@H](NC(=O)C1=CNN=C1I)C1=N[N-]N=N1	REAL300020167057	0	30	-1.0	-48.15	304.36	1.42	-46.73
CSCC[C@H](NC(=O)C1=CNN=C1I)C1=NN=N[N-]1	REAL300020167057	1	30	-1.0	-48.17	304.41	1.43	-46.74
CSCC[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1=N[N-]N=N1	REAL300020167058	0	47	0.0	-55.37	367.52	5.05	-50.32
CSCC[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1=N[N-]N=N1	REAL300020167058	1	47	0.0	-54.54	367.36	4.99	-49.55
CSCC[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1=NN=N[N-]1	REAL300020167058	1	47	0.0	-55.35	367.57	5.06	-50.29
CSCC[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1=NN=N[N-]1	REAL300020167058	1	47	0.0	-54.53	367.41	5.00	-49.53
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CSCC[C@H](NC(=O)C1=CC=C2NC=NC2=C1F)C1=N[N-]N=N1	REAL300020167072	0	36	-1.0	-60.17	327.70	3.80	-56.37
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CSCC[C@H](NC(=O)C1=NN=C(C2CC2)O1)C1=N[N-]N=N1	REAL300020167075	0	35	-1.0	-44.31	324.78	-1.17	-45.48
CSCC[C@H](NC(=O)C1=NN=C(C2CC2)O1)C1=NN=N[N-]1	REAL300020167075	1	35	-1.0	-44.33	324.84	-1.15	-45.48
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CSCC[C@H](NC(=O)C1=CC(C(F)(F)F)=CNC1=O)C1=N[N-]N=N1	REAL300020167078	0	36	-1.0	-55.35	338.77	2.30	-53.05
CSCC[C@H](NC(=O)C1=CC(C(F)(F)F)=CNC1=O)C1=NN=N[N-]1	REAL300020167078	1	36	-1.0	-55.34	338.83	2.32	-53.02
CSCC[C@H](NC(=O)C(CO)NC(=O)OCC1=CC=CC=C1)C1=N[N-]N=N1	REAL300020167079	0	48	-1.0	-47.36	423.89	0.46	-46.90
CSCC[C@H](NC(=O)C(CO)NC(=O)OCC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020167079	1	48	-1.0	-47.33	423.94	0.47	-46.86
CSCC[C@H](NC(=O)C1=CC=CN2N=NN=C12)C1=NN=N[N-]1	REAL300020167080	0	34	-1.0	-52.96	313.53	2.56	-50.40
CSCC[C@H](NC(=O)C1=CC=CN2N=NN=C12)C1=N[N-]N=N1	REAL300020167080	1	34	-1.0	-52.97	313.47	2.54	-50.43
CSCC[C@H](NC(=O)C1=CC(F)=CNC1=O)C1=N[N-]N=N1	REAL300020167081	0	33	-1.0	-55.59	306.20	1.38	-54.21
CSCC[C@H](NC(=O)C1=CC(F)=CNC1=O)C1=NN=N[N-]1	REAL300020167081	1	33	-1.0	-55.57	306.26	1.40	-54.17
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CSCC[C@H](NC(=O)C1=CN2C=CN=C2C(Br)=C1)C1=NN=N[N-]1	REAL300020167083	0	36	-1.0	-44.27	345.22	5.23	-39.04
CSCC[C@H](NC(=O)C1=CN2C=CN=C2C(Br)=C1)C1=N[N-]N=N1	REAL300020167083	1	36	-1.0	-44.30	345.16	5.22	-39.08
CSCC[C@H](NC(=O)C(C)(C)C1=CC=C(C#N)C=C1)C1=N[N-]N=N1	REAL300020167084	0	43	-1.0	-46.26	373.96	6.07	-40.19
CSCC[C@H](NC(=O)C(C)(C)C1=CC=C(C#N)C=C1)C1=NN=N[N-]1	REAL300020167084	1	43	-1.0	-46.27	374.02	6.09	-40.18
CSCC[C@H](NC(=O)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1)C1=N[N-]N=N1	REAL300020167085	0	56	-1.0	-47.53	448.96	4.14	-43.39
CSCC[C@H](NC(=O)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1)C1=NN=N[N-]1	REAL300020167085	1	56	-1.0	-47.54	449.02	4.15	-43.39
CSCC[C@H](NC(=O)C(C)=CC1=CC=C(Br)O1)C1=N[N-]N=N1	REAL300020167086	0	37	-1.0	-44.57	348.69	5.01	-39.56
CSCC[C@H](NC(=O)C(C)=CC1=CC=C(Br)O1)C1=NN=N[N-]1	REAL300020167086	1	37	-1.0	-44.58	348.75	5.02	-39.56
CSCC[C@H](NC(=O)C1=CC(C=O)=CC=C1F)C1=N[N-]N=N1	REAL300020167087	0	35	-1.0	-50.38	325.31	3.89	-46.49
CSCC[C@H](NC(=O)C1=CC(C=O)=CC=C1F)C1=NN=N[N-]1	REAL300020167087	1	35	-1.0	-50.38	325.36	3.91	-46.47
CSCC[C@H](NC(=O)CC1=CC=C(C=O)C=C1)C1=N[N-]N=N1	REAL300020167088	0	38	-1.0	-52.30	345.43	4.49	-47.81
CSCC[C@H](NC(=O)CC1=CC=C(C=O)C=C1)C1=NN=N[N-]1	REAL300020167088	1	38	-1.0	-52.26	345.49	4.50	-47.76
CSCC[C@H](NC(=O)C1=CC=C2C(C=O)=CNC2=C1)C1=N[N-]N=N1	REAL300020167089	0	39	-1.0	-49.85	352.56	3.89	-45.96
CSCC[C@H](NC(=O)C1=CC=C2C(C=O)=CNC2=C1)C1=NN=N[N-]1	REAL300020167089	1	39	-1.0	-49.85	352.62	3.90	-45.95
CSCC[C@H](NC(=O)C1=CC=CC(N2C(C)=CC(C=O)=C2C)=C1)C1=N[N-]N=N1	REAL300020167090	0	49	-1.0	-53.23	425.02	7.68	-45.55
CSCC[C@H](NC(=O)C1=CC=CC(N2C(C)=CC(C=O)=C2C)=C1)C1=NN=N[N-]1	REAL300020167090	1	49	-1.0	-53.23	425.08	7.70	-45.53
CSCC[C@H](NC(=O)C1=CC=CC=C1N1C(C)=CC(C=O)=C1C)C1=N[N-]N=N1	REAL300020167091	0	49	-1.0	-52.44	421.98	8.13	-44.31
CSCC[C@H](NC(=O)C1=CC=CC=C1N1C(C)=CC(C=O)=C1C)C1=NN=N[N-]1	REAL300020167091	1	49	-1.0	-52.43	422.04	8.14	-44.29
CSCC[C@H](NC(=O)C1=CC(Br)=CC(C=O)=C1)C1=N[N-]N=N1	REAL300020167092	0	35	-1.0	-43.68	342.06	4.43	-39.25
CSCC[C@H](NC(=O)C1=CC(Br)=CC(C=O)=C1)C1=NN=N[N-]1	REAL300020167092	1	35	-1.0	-43.67	342.11	4.44	-39.23
CSCC[C@H](NC(=O)C1=CN([C@@H]2CC[C@H]2O)N=N1)C1=NN=N[N-]1	REAL300020167093	0	40	-1.0	-47.94	355.58	-1.02	-48.96
CSCC[C@H](NC(=O)C1=CN([C@@H]2CC[C@H]2O)N=N1)C1=N[N-]N=N1	REAL300020167093	1	40	-1.0	-47.95	355.53	-1.04	-48.99
CSCC[C@H](NC(=O)[C@]1(C2=CC=CC=C2)C[C@H](O)C1)C1=N[N-]N=N1	REAL300020167094	0	44	-1.0	-53.06	373.66	3.08	-49.98
CSCC[C@H](NC(=O)[C@]1(C2=CC=CC=C2)C[C@H](O)C1)C1=NN=N[N-]1	REAL300020167094	1	44	-1.0	-53.08	373.72	3.09	-49.99
CSCC[C@H](NC(=O)C1=C(C(F)F)N=C2CCCCN21)C1=N[N-]N=N1	REAL300020167095	0	43	-1.0	-54.06	380.01	4.94	-49.12
CSCC[C@H](NC(=O)C1=C(C(F)F)N=C2CCCCN21)C1=NN=N[N-]1	REAL300020167095	1	43	-1.0	-54.07	380.06	4.95	-49.12
CSCC[C@H](NC(=O)C(C)C1=CN=CC=N1)C1=N[N-]N=N1	REAL300020167096	0	37	-1.0	-48.46	327.69	1.49	-46.97
CSCC[C@H](NC(=O)C(C)C1=CN=CC=N1)C1=NN=N[N-]1	REAL300020167096	1	37	-1.0	-48.48	327.75	1.50	-46.98
CSCC[C@H](NC(=O)C1=CN=C2SC=CC2=C1)C1=NN=N[N-]1	REAL300020167097	0	35	-1.0	-45.58	329.53	3.57	-42.01
CSCC[C@H](NC(=O)C1=CN=C2SC=CC2=C1)C1=N[N-]N=N1	REAL300020167097	1	35	-1.0	-45.60	329.47	3.55	-42.05
CSCC[C@H](NC(=O)CC(F)(F)C(F)(F)F)C1=N[N-]N=N1	REAL300020167098	0	32	-1.0	-46.07	312.07	3.08	-42.99
CSCC[C@H](NC(=O)CC(F)(F)C(F)(F)F)C1=NN=N[N-]1	REAL300020167098	1	32	-1.0	-46.06	312.13	3.10	-42.96
CSCC[C@H](NC(=O)C1=CC2=C(Cl)N=CC=C2O1)C1=NN=N[N-]1	REAL300020167099	0	35	-1.0	-44.30	340.46	3.17	-41.13
CSCC[C@H](NC(=O)C1=CC2=C(Cl)N=CC=C2O1)C1=N[N-]N=N1	REAL300020167099	1	35	-1.0	-44.29	340.41	3.16	-41.13
CSCC[C@H](NC(=O)CCNC(=O)C1=CC2=CC=CC=C2N1)C1=N[N-]N=N1	REAL300020167100	0	47	-1.0	-55.01	412.38	3.15	-51.86
CSCC[C@H](NC(=O)CCNC(=O)C1=CC2=CC=CC=C2N1)C1=NN=N[N-]1	REAL300020167100	1	47	-1.0	-54.97	412.44	3.16	-51.81
CSCC[C@H](NC(=O)C1=COC(C(F)(F)F)=N1)C1=NN=N[N-]1	REAL300020167101	0	32	-1.0	-41.90	318.15	-0.14	-42.04
CSCC[C@H](NC(=O)C1=COC(C(F)(F)F)=N1)C1=N[N-]N=N1	REAL300020167101	1	32	-1.0	-41.89	318.09	-0.15	-42.04
CSCC[C@H](NC(=O)C1=C(F)C=NC=C1F)C1=NN=N[N-]1	REAL300020167102	0	32	-1.0	-46.69	308.92	2.31	-44.38
CSCC[C@H](NC(=O)C1=C(F)C=NC=C1F)C1=N[N-]N=N1	REAL300020167102	1	32	-1.0	-46.70	308.86	2.30	-44.40
CSCC[C@H](NC(=O)C1=NN2C=C(Br)C=NC2=C1)C1=NN=N[N-]1	REAL300020167103	0	35	-1.0	-46.60	345.04	3.49	-43.11
CSCC[C@H](NC(=O)C1=NN2C=C(Br)C=NC2=C1)C1=N[N-]N=N1	REAL300020167103	1	35	-1.0	-46.62	344.98	3.47	-43.15
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CSCC[C@H](NC(=O)C1=CC=C(F)C(C=O)=C1)C1=N[N-]N=N1	REAL300020167105	0	35	-1.0	-50.00	326.24	3.87	-46.13
CSCC[C@H](NC(=O)C1=CC=C(F)C(C=O)=C1)C1=NN=N[N-]1	REAL300020167105	1	35	-1.0	-50.02	326.30	3.89	-46.13
CSCC[C@H](NC(=O)C1=CSN=C1Cl)C1=NN=N[N-]1	REAL300020167106	0	29	-1.0	-46.37	296.75	2.16	-44.21
CSCC[C@H](NC(=O)C1=CSN=C1Cl)C1=N[N-]N=N1	REAL300020167106	1	29	-1.0	-46.37	296.69	2.15	-44.22
CSCC[C@H](NC(=O)C1CN(S(C)(=O)=O)C1)C1=N[N-]N=N1	REAL300020167107	0	38	-1.0	-52.90	348.40	-0.94	-53.84
CSCC[C@H](NC(=O)C1CN(S(C)(=O)=O)C1)C1=NN=N[N-]1	REAL300020167107	1	38	-1.0	-52.91	348.46	-0.93	-53.84
CSCC[C@H](NC(=O)CCOC1COC1)C1=N[N-]N=N1	REAL300020167108	0	38	-1.0	-44.40	335.48	0.39	-44.01
CSCC[C@H](NC(=O)CCOC1COC1)C1=NN=N[N-]1	REAL300020167108	1	38	-1.0	-44.44	335.54	0.41	-44.03
CSCC[C@H](NC(=O)C1=CC=C(OCC2=CC=CC=C2)C=N1)C1=NN=N[N-]1	REAL300020167109	0	46	-1.0	-46.85	406.08	5.64	-41.21
CSCC[C@H](NC(=O)C1=CC=C(OCC2=CC=CC=C2)C=N1)C1=N[N-]N=N1	REAL300020167109	1	46	-1.0	-46.89	406.02	5.63	-41.26
CSCC[C@H](NC(=O)C1=CSC=C1Cl)C1=N[N-]N=N1	REAL300020167110	0	30	-1.0	-48.07	302.58	3.53	-44.54
CSCC[C@H](NC(=O)C1=CSC=C1Cl)C1=NN=N[N-]1	REAL300020167110	1	30	-1.0	-48.06	302.64	3.54	-44.52
CSCC[C@H](NC(=O)[C@@H]1C[C@H]1C1CCOCC1)C1=N[N-]N=N1	REAL300020167111	0	44	-1.0	-47.32	367.25	4.03	-43.29
CSCC[C@H](NC(=O)[C@@H]1C[C@H]1C1CCOCC1)C1=NN=N[N-]1	REAL300020167111	1	44	-1.0	-47.33	367.31	4.05	-43.28
CSCC[C@H](NC(=O)C1=CC=C(C2=CSC(C)=N2)S1)C1=NN=N[N-]1	REAL300020167112	0	39	-1.0	-46.91	377.59	4.66	-42.25
CSCC[C@H](NC(=O)C1=CC=C(C2=CSC(C)=N2)S1)C1=N[N-]N=N1	REAL300020167112	1	39	-1.0	-46.92	377.53	4.64	-42.28
CSCC[C@H](NC(=O)CC1=CC=CC=C1OCC1=CC=NC=C1)C1=N[N-]N=N1	REAL300020167113	0	49	-1.0	-52.83	427.10	6.33	-46.50
CSCC[C@H](NC(=O)CC1=CC=CC=C1OCC1=CC=NC=C1)C1=NN=N[N-]1	REAL300020167113	1	49	-1.0	-52.84	427.16	6.34	-46.50
CSCC[C@H](NC(=O)[C@@H]1CC[C@H](CC2=CC=CC=C2)O1)C1=N[N-]N=N1	REAL300020167114	0	47	-1.0	-52.03	400.22	6.88	-45.15
CSCC[C@H](NC(=O)[C@@H]1CC[C@H](CC2=CC=CC=C2)O1)C1=NN=N[N-]1	REAL300020167114	1	47	-1.0	-52.02	400.28	6.89	-45.13
CCC(CC(=O)N[C@@H](CCSC)C1=N[N-]N=N1)C(C)(C)C	REAL300020167115	0	47	-1.0	-45.87	361.66	5.08	-40.79
CCC(CC(=O)N[C@@H](CCSC)C1=NN=N[N-]1)C(C)(C)C	REAL300020167115	1	47	-1.0	-45.85	361.72	5.09	-40.76
CCC1=CC=C(F)C=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020167116	0	39	-1.0	-44.39	338.18	5.57	-38.82
CCC1=CC=C(F)C=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020167116	1	39	-1.0	-44.38	338.24	5.59	-38.79
CSCC[C@H](NC(=O)C[C@@H]1NC(=O)C2=CC=CC=C2NC1=O)C1=N[N-]N=N1	REAL300020167117	0	45	-1.0	-52.12	388.43	0.71	-51.41
CSCC[C@H](NC(=O)C[C@@H]1NC(=O)C2=CC=CC=C2NC1=O)C1=NN=N[N-]1	REAL300020167117	1	45	-1.0	-52.17	388.49	0.72	-51.45
COCC1=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=CS1	REAL300020167118	0	37	-1.0	-48.71	339.42	2.85	-45.86
COCC1=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=CS1	REAL300020167118	1	37	-1.0	-48.69	339.48	2.86	-45.83
CSCC[C@H](NC(=O)C1=CC=C2C=CN(C)C2=C1)C1=N[N-]N=N1	REAL300020167119	0	40	-1.0	-49.80	351.20	5.84	-43.96
CSCC[C@H](NC(=O)C1=CC=C2C=CN(C)C2=C1)C1=NN=N[N-]1	REAL300020167119	1	40	-1.0	-49.81	351.26	5.85	-43.96
CSCC[C@H](NC(=O)C1(C2=CC=NC3=CC=CC=C32)CC1)C1=NN=N[N-]1	REAL300020167120	0	45	-1.0	-52.89	388.11	5.89	-47.00
CSCC[C@H](NC(=O)C1(C2=CC=NC3=CC=CC=C32)CC1)C1=N[N-]N=N1	REAL300020167120	1	45	-1.0	-52.90	388.05	5.87	-47.03
CSCC[C@H](NC(=O)C1(C2CCCCO2)CCC1)C1=N[N-]N=N1	REAL300020167121	0	47	-1.0	-46.40	378.84	4.72	-41.68
CSCC[C@H](NC(=O)C1(C2CCCCO2)CCC1)C1=NN=N[N-]1	REAL300020167121	1	47	-1.0	-46.37	378.89	4.73	-41.64
CSCC[C@H](NC(=O)C1(C2=CC=C([N+](=O)[O-])C=C2)CCC1)C1=N[N-]N=N1	REAL300020167122	0	45	-1.0	-50.06	393.37	6.99	-43.07
CSCC[C@H](NC(=O)C1(C2=CC=C([N+](=O)[O-])C=C2)CCC1)C1=NN=N[N-]1	REAL300020167122	1	45	-1.0	-50.07	393.43	7.01	-43.06
CSCC[C@H](NC(=O)C(C)(C)C1=CC=CC(C(F)(F)F)=N1)C1=NN=N[N-]1	REAL300020167123	0	44	-1.0	-56.54	388.43	5.65	-50.89
CSCC[C@H](NC(=O)C(C)(C)C1=CC=CC(C(F)(F)F)=N1)C1=N[N-]N=N1	REAL300020167123	1	44	-1.0	-56.54	388.38	5.64	-50.90
COC1=CC=C(F)C(OC)=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020167124	0	41	-1.0	-49.66	369.34	2.79	-46.87
COC1=CC=C(F)C(OC)=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020167124	1	41	-1.0	-49.66	369.40	2.80	-46.86
COC1=CC=NC(OC)=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020167125	0	40	-1.0	-52.78	357.60	0.08	-52.70
COC1=CC=NC(OC)=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020167125	1	40	-1.0	-52.81	357.54	0.07	-52.74
COC(=O)C1=NN(C)C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020167126	0	39	-1.0	-43.23	354.79	2.37	-40.86
COC(=O)C1=NN(C)C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020167126	1	39	-1.0	-43.20	354.73	2.36	-40.84
COC(=O)[C@@H]1O[C@@H](C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C[C@H]1C	REAL300020167127	0	43	-1.0	-55.56	374.56	4.23	-51.33
COC(=O)[C@@H]1O[C@@H](C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C[C@H]1C	REAL300020167127	1	43	-1.0	-55.56	374.62	4.25	-51.31
COC1=CC=CC=C1NC1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020167128	0	49	-1.0	-47.89	415.88	5.82	-42.07
COC1=CC=CC=C1NC1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020167128	1	49	-1.0	-47.85	415.94	5.83	-42.02
CSCC[C@H](NC(=O)C=CC1=CC=C(Cl)S1)C1=N[N-]N=N1	REAL300020167129	0	34	-1.0	-44.24	339.32	5.00	-39.24
CSCC[C@H](NC(=O)C=CC1=CC=C(Cl)S1)C1=NN=N[N-]1	REAL300020167129	1	34	-1.0	-44.26	339.37	5.02	-39.24
CSCC[C@H](NC(=O)C=CC1=CC=CC=C1OC(F)(F)F)C1=N[N-]N=N1	REAL300020167130	0	41	-1.0	-49.34	376.93	5.13	-44.21
CSCC[C@H](NC(=O)C=CC1=CC=CC=C1OC(F)(F)F)C1=NN=N[N-]1	REAL300020167130	1	41	-1.0	-49.35	376.98	5.15	-44.20
CSCC[C@H](NC(=O)C1=NN(C2CCOCC2)C=C1)C1=NN=N[N-]1	REAL300020167131	0	44	-1.0	-48.49	375.62	2.72	-45.77
CSCC[C@H](NC(=O)C1=NN(C2CCOCC2)C=C1)C1=N[N-]N=N1	REAL300020167131	1	44	-1.0	-48.51	375.56	2.71	-45.80
CSCC[C@H](NC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)C1=N[N-]N=N1	REAL300020167132	0	46	-1.0	-42.62	375.62	4.64	-37.98
CSCC[C@H](NC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)C1=NN=N[N-]1	REAL300020167132	1	46	-1.0	-42.62	375.67	4.65	-37.97
CSCC[C@H](NC(=O)C1=C(C)OC(C2=CC=CC=C2)=C1)C1=N[N-]N=N1	REAL300020167133	0	43	-1.0	-45.74	378.56	6.62	-39.12
CSCC[C@H](NC(=O)C1=C(C)OC(C2=CC=CC=C2)=C1)C1=NN=N[N-]1	REAL300020167133	1	43	-1.0	-45.75	378.62	6.63	-39.12
CSCC[C@H](NC(=O)C1CNC(=O)C2=CC=CC=C21)C1=N[N-]N=N1	REAL300020167134	0	41	-1.0	-58.18	357.70	2.45	-55.73
CSCC[C@H](NC(=O)C1CNC(=O)C2=CC=CC=C21)C1=NN=N[N-]1	REAL300020167134	1	41	-1.0	-58.17	357.76	2.47	-55.70
CSCC[C@H](NC(=O)CC1CCC(F)(F)CC1)C1=N[N-]N=N1	REAL300020167135	0	42	-1.0	-44.23	353.11	5.16	-39.07
CSCC[C@H](NC(=O)CC1CCC(F)(F)CC1)C1=NN=N[N-]1	REAL300020167135	1	42	-1.0	-44.27	353.17	5.18	-39.09
CSCC[C@H](NC(=O)CN1C=C(C)C(C(F)(F)F)=N1)C1=NN=N[N-]1	REAL300020167136	0	39	-1.0	-51.75	364.04	3.82	-47.93
CSCC[C@H](NC(=O)CN1C=C(C)C(C(F)(F)F)=N1)C1=N[N-]N=N1	REAL300020167136	1	39	-1.0	-51.74	363.99	3.80	-47.94
CSCC[C@H](NC(=O)[C@@H]1C[C@H]1C1=CC=CC(C)=C1)C1=N[N-]N=N1	REAL300020167137	0	43	-1.0	-45.96	371.49	6.78	-39.18
CSCC[C@H](NC(=O)[C@@H]1C[C@H]1C1=CC=CC(C)=C1)C1=NN=N[N-]1	REAL300020167137	1	43	-1.0	-45.97	371.55	6.79	-39.18
CSCC[C@H](NC(=O)C1=CC=C(C(F)F)O1)C1=N[N-]N=N1	REAL300020167138	0	33	-1.0	-44.15	316.37	3.19	-40.96
CSCC[C@H](NC(=O)C1=CC=C(C(F)F)O1)C1=NN=N[N-]1	REAL300020167138	1	33	-1.0	-44.13	316.43	3.20	-40.93
CSCC[C@H](NC(=O)C1=C(C(F)F)N=CO1)C1=N[N-]N=N1	REAL300020167139	0	32	-1.0	-45.55	304.27	-0.30	-45.85
CSCC[C@H](NC(=O)C1=C(C(F)F)N=CO1)C1=NN=N[N-]1	REAL300020167139	1	32	-1.0	-45.54	304.32	-0.29	-45.83
CSCC[C@H](NC(=O)C1=CC=CC(C#CCO)=C1)C1=N[N-]N=N1	REAL300020167140	0	39	-1.0	-51.52	357.98	2.90	-48.62
CSCC[C@H](NC(=O)C1=CC=CC(C#CCO)=C1)C1=NN=N[N-]1	REAL300020167140	1	39	-1.0	-51.51	358.04	2.91	-48.60
CSCC[C@H](NC(=O)CN1CCOC1=O)C1=N[N-]N=N1	REAL300020167141	0	35	-1.0	-51.09	317.40	1.59	-49.50
CSCC[C@H](NC(=O)CN1CCOC1=O)C1=NN=N[N-]1	REAL300020167141	1	35	-1.0	-51.10	317.46	1.61	-49.49
CSCC[C@H](NC(=O)[C@@H](CO)NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300020167142	0	47	-1.0	-47.94	397.00	-1.49	-49.43
CSCC[C@H](NC(=O)[C@@H](CO)NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300020167142	1	47	-1.0	-47.94	397.06	-1.48	-49.42
CSCC[C@H](NC(=O)CCCN1C=NC=N1)C1=NN=N[N-]1	REAL300020167143	0	38	-1.0	-54.04	340.85	4.99	-49.05
CSCC[C@H](NC(=O)CCCN1C=NC=N1)C1=N[N-]N=N1	REAL300020167143	1	38	-1.0	-53.99	340.79	4.98	-49.01
CSCC[C@H](NC(=O)C1=C(C)C(C=O)=C(C)N1)C1=N[N-]N=N1	REAL300020167144	0	39	-1.0	-53.84	343.48	2.87	-50.97
CSCC[C@H](NC(=O)C1=C(C)C(C=O)=C(C)N1)C1=NN=N[N-]1	REAL300020167144	1	39	-1.0	-53.77	343.53	2.88	-50.89
CSCC[C@H](NC(=O)CN1CCNC(=O)C1)C1=N[N-]N=N1	REAL300020167145	0	39	-1.0	-56.23	334.33	-1.83	-58.06
CSCC[C@H](NC(=O)CN1CCNC(=O)C1)C1=NN=N[N-]1	REAL300020167145	1	39	-1.0	-56.23	334.39	-1.82	-58.05
COC1=CC(CO)=CC=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020167146	0	41	-1.0	-53.44	357.66	1.95	-51.49
COC1=CC(CO)=CC=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020167146	1	41	-1.0	-53.44	357.72	1.97	-51.47
CSCC[C@H](NC(=O)CC1CCN(CC(F)F)CC1)C1=N[N-]N=N1	REAL300020167147	0	47	-1.0	-50.12	379.86	3.10	-47.02
CSCC[C@H](NC(=O)CC1CCN(CC(F)F)CC1)C1=NN=N[N-]1	REAL300020167147	1	47	-1.0	-50.08	379.91	3.12	-46.96
COC1=CC(OC)=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1C=O	REAL300020167148	0	43	-1.0	-53.20	376.13	3.79	-49.41
COC1=CC(OC)=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1C=O	REAL300020167148	1	43	-1.0	-53.20	376.19	3.80	-49.40
CSCC[C@H](NC(=O)CCCN1C=NC2=C(N)N=CN=C21)C1=NN=N[N-]1	REAL300020167149	0	45	-1.0	-57.98	397.20	4.94	-53.04
CSCC[C@H](NC(=O)CCCN1C=NC2=C(N)N=CN=C21)C1=N[N-]N=N1	REAL300020167149	1	45	-1.0	-57.97	397.15	4.93	-53.04
CSCC[C@H](NC(=O)CCCCN1C=NC2=C(N)N=CN=C21)C1=N[N-]N=N1	REAL300020167150	0	48	-1.0	-50.54	418.64	5.71	-44.83
CSCC[C@H](NC(=O)CCCCN1C=NC2=C(N)N=CN=C21)C1=NN=N[N-]1	REAL300020167150	1	48	-1.0	-50.57	418.70	5.72	-44.85
CSCC[C@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C1=NN=N[N-]1	REAL300020167151	0	48	0.0	-53.08	367.04	5.49	-47.59
CSCC[C@H](NC(=O)CC(O)COCC1=CC=CC=C1)C1=N[N-]N=N1	REAL300020167152	0	47	-1.0	-53.80	408.94	3.44	-50.36
CSCC[C@H](NC(=O)CC(O)COCC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020167152	1	47	-1.0	-53.79	409.00	3.45	-50.34
CSCC[C@H](NC(=O)C1=C(C)NN=C1Cl)C1=N[N-]N=N1	REAL300020167153	0	33	-1.0	-43.48	319.98	1.43	-42.05
CSCC[C@H](NC(=O)C1=C(C)NN=C1Cl)C1=NN=N[N-]1	REAL300020167153	1	33	-1.0	-43.50	320.03	1.44	-42.06
CSCC[C@H](NC(=O)C1CC(O)(C2=CC=CC(Cl)=C2)C1)C1=N[N-]N=N1	REAL300020167154	0	44	-1.0	-52.74	386.39	5.07	-47.67
CSCC[C@H](NC(=O)C1CC(O)(C2=CC=CC(Cl)=C2)C1)C1=NN=N[N-]1	REAL300020167154	1	44	-1.0	-52.73	386.44	5.08	-47.65
CSCC[C@H](NC(=O)C1CC(N(C)C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300020167155	0	53	-1.0	-49.29	426.59	4.81	-44.48
CSCC[C@H](NC(=O)C1CC(N(C)C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300020167155	1	53	-1.0	-49.28	426.65	4.83	-44.45
CSCC[C@H](NC(=O)C1=C2C=CC=CN2C(C(F)(F)F)=N1)C1=NN=N[N-]1	REAL300020167156	0	39	-1.0	-50.82	365.34	5.46	-45.36
CSCC[C@H](NC(=O)C1=C2C=CC=CN2C(C(F)(F)F)=N1)C1=N[N-]N=N1	REAL300020167156	1	39	-1.0	-50.82	365.28	5.45	-45.37
CSCC[C@H](NC(=O)C1=CC=CC(N=S(C)(C)=O)=C1)C1=N[N-]N=N1	REAL300020167157	0	43	-1.0	-63.37	378.07	2.42	-60.95
CSCC[C@H](NC(=O)C1=CC=CC(N=S(C)(C)=O)=C1)C1=NN=N[N-]1	REAL300020167157	1	43	-1.0	-63.40	378.12	2.44	-60.96
CSCC[C@H](NC(=O)C1=CN2CC(C)CCC2=N1)C1=N[N-]N=N1	REAL300020167158	0	43	-1.0	-49.93	365.66	4.82	-45.11
CSCC[C@H](NC(=O)C1=CN2CC(C)CCC2=N1)C1=NN=N[N-]1	REAL300020167158	1	43	-1.0	-49.95	365.71	4.83	-45.12
CSCC[C@H](NC(=O)C1=CC=CC=C1C1=CC=NC=C1)C1=NN=N[N-]1	REAL300020167159	0	42	-1.0	-48.74	366.73	5.92	-42.82
CSCC[C@H](NC(=O)C1=CC=CC=C1C1=CC=NC=C1)C1=N[N-]N=N1	REAL300020167159	1	42	-1.0	-48.77	366.68	5.90	-42.87
CSCC[C@H](NC(=O)C=CC1=CC=CC(C2=CC=CC=C2)=C1)C1=N[N-]N=N1	REAL300020167160	0	47	-1.0	-48.30	406.24	8.69	-39.61
CSCC[C@H](NC(=O)C=CC1=CC=CC(C2=CC=CC=C2)=C1)C1=NN=N[N-]1	REAL300020167160	1	47	-1.0	-48.30	406.30	8.70	-39.60
CSCC[C@H](NC(=O)C=CC1=CN=C(C)S1)C1=N[N-]N=N1	REAL300020167161	0	36	-1.0	-46.47	339.33	3.27	-43.20
CSCC[C@H](NC(=O)C=CC1=CN=C(C)S1)C1=NN=N[N-]1	REAL300020167161	1	36	-1.0	-46.45	339.39	3.28	-43.17
CSCC[C@H](NC(=O)C1=CN=CC(N2CCCC2=O)=C1)C1=NN=N[N-]1	REAL300020167162	0	43	-1.0	-58.39	370.22	3.42	-54.97
CSCC[C@H](NC(=O)C1=CN=CC(N2CCCC2=O)=C1)C1=N[N-]N=N1	REAL300020167162	1	43	-1.0	-58.46	370.17	3.40	-55.06
CSCC[C@H](NC(=O)C1=CC=NC2=CC=NN21)C1=NN=N[N-]1	REAL300020167163	0	35	-1.0	-47.52	317.90	3.33	-44.19
CSCC[C@H](NC(=O)C1=CC=NC2=CC=NN21)C1=N[N-]N=N1	REAL300020167163	1	35	-1.0	-47.51	317.85	3.31	-44.20
CSCC[C@H](NC(=O)CC1=CC=C(C(N)=O)N=C1)C1=NN=N[N-]1	REAL300020167164	0	39	-1.0	-50.83	354.02	-0.17	-51.00
CSCC[C@H](NC(=O)CC1=CC=C(C(N)=O)N=C1)C1=N[N-]N=N1	REAL300020167164	1	39	-1.0	-50.82	353.96	-0.18	-51.00
CSCC[C@H](NC(=O)C1=CC=C(C=O)S1)C1=N[N-]N=N1	REAL300020167165	0	32	-1.0	-48.84	314.35	2.94	-45.90
CSCC[C@H](NC(=O)C1=CC=C(C=O)S1)C1=NN=N[N-]1	REAL300020167165	1	32	-1.0	-48.83	314.41	2.95	-45.88
CSCC[C@H](NC(=O)C1=NC=CN=C1Cl)C1=NN=N[N-]1	REAL300020167166	0	31	-1.0	-48.37	302.28	0.97	-47.40
CSCC[C@H](NC(=O)C1=NC=CN=C1Cl)C1=N[N-]N=N1	REAL300020167166	1	31	-1.0	-48.40	302.22	0.95	-47.45
CSCC[C@H](NC(=O)C1=NC2=CC=NN2C=C1)C1=NN=N[N-]1	REAL300020167167	0	35	-1.0	-45.35	322.21	3.07	-42.28
CSCC[C@H](NC(=O)C1=NC2=CC=NN2C=C1)C1=N[N-]N=N1	REAL300020167167	1	35	-1.0	-45.35	322.15	3.06	-42.29
CSCC[C@H](NC(=O)C1=CN(C)C(=O)N1C)C1=N[N-]N=N1	REAL300020167168	0	37	-1.0	-49.95	329.24	2.83	-47.12
CSCC[C@H](NC(=O)C1=CN(C)C(=O)N1C)C1=NN=N[N-]1	REAL300020167168	1	37	-1.0	-49.97	329.30	2.84	-47.13
CSCC[C@H](NC(=O)CCN1C(=O)C(C)=C(C)C1=O)C1=N[N-]N=N1	REAL300020167169	0	43	-1.0	-50.45	385.06	3.39	-47.06
CSCC[C@H](NC(=O)CCN1C(=O)C(C)=C(C)C1=O)C1=NN=N[N-]1	REAL300020167169	1	43	-1.0	-50.50	385.12	3.40	-47.10
CSCC[C@H](NC(=O)C1CC2CSCC(C1)C2=O)C1=N[N-]N=N1	REAL300020167170	0	43	-1.0	-47.34	357.62	4.69	-42.65
CSCC[C@H](NC(=O)C1CC2CSCC(C1)C2=O)C1=NN=N[N-]1	REAL300020167170	1	43	-1.0	-47.37	357.68	4.70	-42.67
CCOC(=O)C1CCCN(CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C1	REAL300020167171	0	50	-1.0	-46.31	414.16	3.73	-42.58
CCOC(=O)C1CCCN(CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C1	REAL300020167171	1	50	-1.0	-46.29	414.22	3.74	-42.55
CCOC(=O)C1CCC[N@H+](CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C1	REAL300020167171	1	51	0.0	-56.43	416.10	5.91	-50.52
CCOC(=O)C1CCC[N@@H+](CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C1	REAL300020167171	1	51	0.0	-56.43	416.10	5.91	-50.52
CCC(C)C(C(=O)N[C@@H](CCSC)C1=N[N-]N=N1)N1C=CC=C1C=O	REAL300020167172	0	48	-1.0	-49.07	389.03	5.68	-43.39
CCC(C)C(C(=O)N[C@@H](CCSC)C1=NN=N[N-]1)N1C=CC=C1C=O	REAL300020167172	1	48	-1.0	-49.06	389.09	5.70	-43.36
CSCC[C@H](NC(=O)C1CCC([NH+]2CCOCC2)CC1)C1=N[N-]N=N1	REAL300020167173	0	53	0.0	-48.14	402.93	4.62	-43.52
CSCC[C@H](NC(=O)C1CCC([NH+]2CCOCC2)CC1)C1=NN=N[N-]1	REAL300020167173	1	53	0.0	-48.10	402.98	4.63	-43.47
CSCC[C@H](NC(=O)C1CCC(N2CCOCC2)CC1)C1=N[N-]N=N1	REAL300020167173	1	52	-1.0	-49.87	400.20	2.39	-47.48
CSCC[C@H](NC(=O)C1CCC(N2CCOCC2)CC1)C1=NN=N[N-]1	REAL300020167173	1	52	-1.0	-49.84	400.25	2.41	-47.43
CSCC[C@H](NC(=O)C1=C(C(F)(F)F)C(C)=NN1)C1=N[N-]N=N1	REAL300020167174	0	36	-1.0	-44.56	331.39	2.11	-42.45
CSCC[C@H](NC(=O)C1=C(C(F)(F)F)C(C)=NN1)C1=NN=N[N-]1	REAL300020167174	1	36	-1.0	-44.54	331.44	2.13	-42.41
CSCC[C@H](NC(=O)C=CC1=CC=C(C=O)C=C1)C1=N[N-]N=N1	REAL300020167175	0	39	-1.0	-49.49	355.22	5.00	-44.49
CSCC[C@H](NC(=O)C=CC1=CC=C(C=O)C=C1)C1=NN=N[N-]1	REAL300020167175	1	39	-1.0	-49.51	355.28	5.01	-44.50
CSCC[C@H](NC(=O)C1=CC(F)=C(C=O)C=C1F)C1=N[N-]N=N1	REAL300020167176	0	35	-1.0	-47.72	330.76	3.95	-43.77
CSCC[C@H](NC(=O)C1=CC(F)=C(C=O)C=C1F)C1=NN=N[N-]1	REAL300020167176	1	35	-1.0	-47.73	330.82	3.96	-43.77
CSCC[C@H](NC(=O)C1=CC=C2OCCN(C)C2=C1)C1=N[N-]N=N1	REAL300020167177	0	43	-1.0	-47.81	362.56	2.68	-45.13
CSCC[C@H](NC(=O)C1=CC=C2OCCN(C)C2=C1)C1=NN=N[N-]1	REAL300020167177	1	43	-1.0	-47.79	362.61	2.70	-45.09
CSCC[C@H](NC(=O)C1=CN2CCC(C)CC2=N1)C1=N[N-]N=N1	REAL300020167178	0	43	-1.0	-50.23	365.66	4.84	-45.39
CSCC[C@H](NC(=O)C1=CN2CCC(C)CC2=N1)C1=NN=N[N-]1	REAL300020167178	1	43	-1.0	-50.26	365.71	4.86	-45.40
CSCC[C@H](NC(=O)C(C)(C)C[NH+]1CCOCC1)C1=NN=N[N-]1	REAL300020167179	0	49	0.0	-52.12	378.59	3.61	-48.51
CSCC[C@H](NC(=O)C(C)(C)C[NH+]1CCOCC1)C1=N[N-]N=N1	REAL300020167179	1	49	0.0	-52.09	378.54	3.60	-48.49
CSCC[C@H](NC(=O)C(C)(C)CN1CCOCC1)C1=NN=N[N-]1	REAL300020167179	1	48	-1.0	-46.22	381.91	2.13	-44.09
CSCC[C@H](NC(=O)C(C)(C)CN1CCOCC1)C1=N[N-]N=N1	REAL300020167179	1	48	-1.0	-46.21	381.85	2.12	-44.09
CSCC[C@H](NC(=O)C1CN(C)CC[N@H+](C)C1)C1=NN=N[N-]1	REAL300020167180	0	47	0.0	-62.08	370.07	2.70	-59.38
CSCC[C@H](NC(=O)C1CN(C)CC[N@@H+](C)C1)C1=NN=N[N-]1	REAL300020167180	1	47	0.0	-55.15	368.74	2.29	-52.86
CSCC[C@H](NC(=O)C1CN(C)CC[N@H+](C)C1)C1=N[N-]N=N1	REAL300020167180	1	47	0.0	-62.05	370.01	2.69	-59.36
CSCC[C@H](NC(=O)C1CN(C)CC[N@@H+](C)C1)C1=N[N-]N=N1	REAL300020167180	1	47	0.0	-55.17	368.68	2.27	-52.90
CSCC[C@H](NC(=O)CCC(=O)C(C)(C)C)C1=N[N-]N=N1	REAL300020169529	0	43	-1.0	-43.96	364.22	4.29	-39.67
CSCC[C@H](NC(=O)CCC(=O)C(C)(C)C)C1=NN=N[N-]1	REAL300020169529	1	43	-1.0	-43.98	364.28	4.31	-39.67
C#CCC1(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)CCCO1	REAL300020169530	0	39	-1.0	-44.77	340.93	3.43	-41.34
C#CCC1(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)CCCO1	REAL300020169530	1	39	-1.0	-44.78	340.98	3.45	-41.33
CSCC[C@H](NC(=O)C1=CC=C(C#N)N=C1C)C1=N[N-]N=N1	REAL300020169531	0	36	-1.0	-44.87	329.77	3.27	-41.60
CSCC[C@H](NC(=O)C1=CC=C(C#N)N=C1C)C1=NN=N[N-]1	REAL300020169531	1	36	-1.0	-44.90	329.83	3.29	-41.61
CSCC[C@H](NC(=O)CC(C1=CC=CC(F)=C1)C(F)F)C1=N[N-]N=N1	REAL300020169532	0	42	-1.0	-45.52	372.56	6.14	-39.38
CSCC[C@H](NC(=O)CC(C1=CC=CC(F)=C1)C(F)F)C1=NN=N[N-]1	REAL300020169532	1	42	-1.0	-45.53	372.62	6.16	-39.37
CSCC[C@H](NC(=O)CN1N=C(C2CC2)N(C)C1=O)C1=N[N-]N=N1	REAL300020169533	0	43	-1.0	-59.78	383.04	4.52	-55.26
CSCC[C@H](NC(=O)CN1N=C(C2CC2)N(C)C1=O)C1=NN=N[N-]1	REAL300020169533	1	43	-1.0	-59.84	383.10	4.54	-55.30
CSCC[C@H](NC(=O)C1(O)CCCCCC1)C1=N[N-]N=N1	REAL300020169534	0	43	-1.0	-46.97	341.09	2.09	-44.88
CSCC[C@H](NC(=O)C1(O)CCCCCC1)C1=NN=N[N-]1	REAL300020169534	1	43	-1.0	-46.97	341.15	2.10	-44.87
CCN1C(C)=NN(CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C1=O	REAL300020169535	0	42	-1.0	-61.65	372.93	3.98	-57.67
CCN1C(C)=NN(CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C1=O	REAL300020169535	1	42	-1.0	-61.65	372.99	4.00	-57.65
CSCC[C@H](NC(=O)[C@@H]1[C@H]2C[C@]1(C1=CC=C(Cl)C=C1)CC2)C1=N[N-]N=N1	REAL300020169536	0	47	-1.0	-47.12	403.76	8.03	-39.09
CSCC[C@H](NC(=O)[C@@H]1[C@H]2C[C@]1(C1=CC=C(Cl)C=C1)CC2)C1=NN=N[N-]1	REAL300020169536	1	47	-1.0	-47.11	403.81	8.05	-39.06
CSCC[C@H](NC(=O)C1=CC(C2CC2)=CC=N1)C1=N[N-]N=N1	REAL300020169537	0	39	-1.0	-47.59	344.21	4.46	-43.13
CSCC[C@H](NC(=O)C1=CC(C2CC2)=CC=N1)C1=NN=N[N-]1	REAL300020169537	1	39	-1.0	-47.50	344.26	4.48	-43.02
CSCC[C@H](NC(=O)C1=CC(S(N)(=O)=O)=CS1)C1=N[N-]N=N1	REAL300020169538	0	35	-1.0	-51.17	345.17	-2.01	-53.18
CSCC[C@H](NC(=O)C1=CC(S(N)(=O)=O)=CS1)C1=NN=N[N-]1	REAL300020169538	1	35	-1.0	-51.14	345.23	-1.99	-53.13
CSCC[C@H](NC(=O)C1=CN=C(C(C)(C)C)O1)C1=NN=N[N-]1	REAL300020169539	0	41	-1.0	-47.37	359.03	1.67	-45.70
CSCC[C@H](NC(=O)C1=CN=C(C(C)(C)C)O1)C1=N[N-]N=N1	REAL300020169539	1	41	-1.0	-47.34	358.97	1.66	-45.68
CSCC[C@H](NC(=O)C1=CC2=CC=CC=C2C1)C1=N[N-]N=N1	REAL300020169540	0	38	-1.0	-46.91	338.09	5.84	-41.07
CSCC[C@H](NC(=O)C1=CC2=CC=CC=C2C1)C1=NN=N[N-]1	REAL300020169540	1	38	-1.0	-46.88	338.15	5.86	-41.02
CSCC[C@H](NC(=O)C1=CN=C2C(=C1)C=CNC2=O)C1=N[N-]N=N1	REAL300020169541	0	38	-1.0	-52.60	344.41	1.52	-51.08
CSCC[C@H](NC(=O)C1=CN=C2C(=C1)C=CNC2=O)C1=NN=N[N-]1	REAL300020169541	1	38	-1.0	-52.58	344.46	1.53	-51.05
CSCC[C@H](NC(=O)C(C)(C)C1=CC=C(F)C(F)=C1)C1=N[N-]N=N1	REAL300020169542	0	42	-1.0	-46.22	365.49	5.81	-40.41
CSCC[C@H](NC(=O)C(C)(C)C1=CC=C(F)C(F)=C1)C1=NN=N[N-]1	REAL300020169542	1	42	-1.0	-46.23	365.54	5.83	-40.40
CSCC[C@H](NC(=O)C(C)(C)OC1=CC=C(Cl)C=C1C)C1=N[N-]N=N1	REAL300020169543	0	46	-1.0	-48.35	394.43	6.74	-41.61
CSCC[C@H](NC(=O)C(C)(C)OC1=CC=C(Cl)C=C1C)C1=NN=N[N-]1	REAL300020169543	1	46	-1.0	-48.37	394.49	6.76	-41.61
COC1=CC=CC=C1N1N=CC=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020169544	0	44	-1.0	-48.57	384.49	4.85	-43.72
COC1=CC=CC=C1N1N=CC=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020169544	1	44	-1.0	-48.59	384.44	4.84	-43.75
CSCC[C@H](NC(=O)C1=C(C)ON=C1C1=CC=CC=C1F)C1=NN=N[N-]1	REAL300020169545	0	42	-1.0	-46.47	379.48	5.78	-40.69
CSCC[C@H](NC(=O)C1=C(C)ON=C1C1=CC=CC=C1F)C1=N[N-]N=N1	REAL300020169545	1	42	-1.0	-46.48	379.41	5.75	-40.73
COCC1(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)CC=CCC1	REAL300020169546	0	44	-1.0	-50.09	363.70	3.71	-46.38
COCC1(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)CC=CCC1	REAL300020169546	1	44	-1.0	-50.09	363.76	3.73	-46.36
CSCC[C@H](NC(=O)C1CCOCC12CCCCC2)C1=N[N-]N=N1	REAL300020169547	0	50	-1.0	-46.16	378.20	4.61	-41.55
CSCC[C@H](NC(=O)C1CCOCC12CCCCC2)C1=NN=N[N-]1	REAL300020169547	1	50	-1.0	-46.17	378.26	4.62	-41.55
CSCC[C@H](NC(=O)C1(C(F)(F)F)CC2CCC1CC2)C1=N[N-]N=N1	REAL300020169548	0	46	-1.0	-41.92	365.54	6.03	-35.89
CSCC[C@H](NC(=O)C1(C(F)(F)F)CC2CCC1CC2)C1=NN=N[N-]1	REAL300020169548	1	46	-1.0	-41.93	365.59	6.05	-35.88
CSCC[C@H](NC(=O)C(C1=CC=CC=C1)C(C)(F)F)C1=N[N-]N=N1	REAL300020169549	0	42	-1.0	-45.54	364.26	6.20	-39.34
CSCC[C@H](NC(=O)C(C1=CC=CC=C1)C(C)(F)F)C1=NN=N[N-]1	REAL300020169549	1	42	-1.0	-45.55	364.32	6.21	-39.34
CSCC[C@H](NC(=O)C1(C2=CC=CC=C2)CCOC1)C1=N[N-]N=N1	REAL300020169550	0	44	-1.0	-46.29	370.35	4.44	-41.85
CSCC[C@H](NC(=O)C1(C2=CC=CC=C2)CCOC1)C1=NN=N[N-]1	REAL300020169550	1	44	-1.0	-46.30	370.41	4.46	-41.84
CSCC[C@H](NC(=O)C1CCCCC1C1=CC=C(C)C=C1)C1=N[N-]N=N1	REAL300020169551	0	52	-1.0	-48.06	409.75	8.19	-39.87
CSCC[C@H](NC(=O)C1CCCCC1C1=CC=C(C)C=C1)C1=NN=N[N-]1	REAL300020169551	1	52	-1.0	-48.08	409.80	8.21	-39.87
CSCC[C@H](NC(=O)C1(C2CC2)CCCO1)C1=N[N-]N=N1	REAL300020169552	0	41	-1.0	-44.95	344.61	3.67	-41.28
CSCC[C@H](NC(=O)C1(C2CC2)CCCO1)C1=NN=N[N-]1	REAL300020169552	1	41	-1.0	-44.96	344.66	3.69	-41.27
CSCC[C@H](NC(=O)CCCN1CC2=CC=CC=C2C1=O)C1=N[N-]N=N1	REAL300020169553	0	47	-1.0	-54.76	408.49	5.75	-49.01
CSCC[C@H](NC(=O)CCCN1CC2=CC=CC=C2C1=O)C1=NN=N[N-]1	REAL300020169553	1	47	-1.0	-54.77	408.55	5.76	-49.01
CSCC[C@H](NC(=O)C(C)OC1=CC=C(Cl)C=C1C(C)=O)C1=N[N-]N=N1	REAL300020169554	0	45	-1.0	-57.45	404.37	7.15	-50.30
CSCC[C@H](NC(=O)C(C)OC1=CC=C(Cl)C=C1C(C)=O)C1=NN=N[N-]1	REAL300020169554	1	45	-1.0	-57.44	404.43	7.17	-50.27
CO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020169555	0	53	-1.0	-44.14	431.00	1.45	-42.69
CO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020169555	1	53	-1.0	-44.16	431.06	1.46	-42.70
CSCC[C@H](NC(=O)C(C)C1CCN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300020169556	0	56	-1.0	-46.60	448.52	5.39	-41.21
CSCC[C@H](NC(=O)C(C)C1CCN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300020169556	1	56	-1.0	-46.66	448.58	5.40	-41.26
CCC(C)C1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C(=O)N1	REAL300020169557	0	45	-1.0	-55.40	378.84	3.96	-51.44
CCC(C)C1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C(=O)N1	REAL300020169557	1	45	-1.0	-55.40	378.90	3.97	-51.43
CSCC[C@H](NC(=O)C(C)OC1=CC=C(C(C)(C)C)C=C1C)C1=N[N-]N=N1	REAL300020169558	0	55	-1.0	-48.94	444.77	8.26	-40.68
CSCC[C@H](NC(=O)C(C)OC1=CC=C(C(C)(C)C)C=C1C)C1=NN=N[N-]1	REAL300020169558	1	55	-1.0	-48.93	444.83	8.27	-40.66
CSCC[C@H](NC(=O)[C@H](C)OC1=CC=C(Cl)C=C1C)C1=N[N-]N=N1	REAL300020169559	0	43	-1.0	-47.66	384.51	6.48	-41.18
CSCC[C@H](NC(=O)[C@H](C)OC1=CC=C(Cl)C=C1C)C1=NN=N[N-]1	REAL300020169559	1	43	-1.0	-47.63	384.57	6.50	-41.13
CSCC[C@H](NC(=O)C(C)OC1=CC=C(C)C=C1C)C1=N[N-]N=N1	REAL300020169560	0	46	-1.0	-49.29	390.00	6.60	-42.69
CSCC[C@H](NC(=O)C(C)OC1=CC=C(C)C=C1C)C1=NN=N[N-]1	REAL300020169560	1	46	-1.0	-49.32	390.06	6.62	-42.70
CSCC[C@H](NC(=O)CN1C(=O)NC2(CCOCC2)C1=O)C1=N[N-]N=N1	REAL300020169561	0	46	-1.0	-52.99	394.25	0.36	-52.63
CSCC[C@H](NC(=O)CN1C(=O)NC2(CCOCC2)C1=O)C1=NN=N[N-]1	REAL300020169561	1	46	-1.0	-53.06	394.31	0.37	-52.69
CSCC[C@H](NC(=O)C1=CC=CC2=CC(Cl)=CC=C21)C1=N[N-]N=N1	REAL300020169562	0	39	-1.0	-47.53	355.74	6.86	-40.67
CSCC[C@H](NC(=O)C1=CC=CC2=CC(Cl)=CC=C21)C1=NN=N[N-]1	REAL300020169562	1	39	-1.0	-47.51	355.79	6.87	-40.64
CSCC[C@H](NC(=O)C1=CN=CC(C2=CC=C(F)C=C2)=C1)C1=NN=N[N-]1	REAL300020169563	0	42	-1.0	-46.03	373.37	5.79	-40.24
CSCC[C@H](NC(=O)C1=CN=CC(C2=CC=C(F)C=C2)=C1)C1=N[N-]N=N1	REAL300020169563	1	42	-1.0	-46.02	373.31	5.77	-40.25
CSCC[C@H](NC(=O)C1=C(Cl)SC2=C1SN=N2)C1=NN=N[N-]1	REAL300020169564	0	31	-1.0	-43.29	333.80	2.43	-40.86
CSCC[C@H](NC(=O)C1=C(Cl)SC2=C1SN=N2)C1=N[N-]N=N1	REAL300020169564	1	31	-1.0	-43.34	333.75	2.41	-40.93
CSCC[C@H](NC(=O)[C@@H]1CC(C)(C)CN1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300020169565	0	56	-1.0	-50.73	452.00	5.50	-45.23
CSCC[C@H](NC(=O)[C@@H]1CC(C)(C)CN1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300020169565	1	56	-1.0	-50.77	452.06	5.51	-45.26
CSCC[C@H](NC(=O)C1CC(C)(C)CN1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300020169566	0	56	-1.0	-50.71	451.99	5.50	-45.21
CSCC[C@H](NC(=O)C1CC(C)(C)CN1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300020169566	1	56	-1.0	-50.72	452.05	5.51	-45.21
COC(=O)C1=COC2=C1NC(C(=O)N[C@@H](CCSC)C1=N[N-]N=N1)=C2	REAL300020169567	0	40	-1.0	-49.56	368.92	2.88	-46.68
COC(=O)C1=COC2=C1NC(C(=O)N[C@@H](CCSC)C1=NN=N[N-]1)=C2	REAL300020169567	1	40	-1.0	-49.55	368.98	2.89	-46.66
COC(=O)C1=CC(C)=C2C=C(C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)NC2=C1	REAL300020169568	0	46	-1.0	-46.18	406.71	5.29	-40.89
COC(=O)C1=CC(C)=C2C=C(C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)NC2=C1	REAL300020169568	1	46	-1.0	-46.20	406.76	5.31	-40.89
CSCC[C@H](NC(=O)C1=C(C)SC(C2=NNC=N2)=N1)C1=N[N-]N=N1	REAL300020169569	0	38	-1.0	-52.57	358.53	2.77	-49.80
CSCC[C@H](NC(=O)C1=C(C)SC(C2=NNC=N2)=N1)C1=NN=N[N-]1	REAL300020169569	1	38	-1.0	-52.59	358.59	2.78	-49.81
CSCC[C@H](NC(=O)C1=CC(CC2=CC=CC=C2)=CN1)C1=N[N-]N=N1	REAL300020169570	0	44	-1.0	-50.16	387.92	6.34	-43.82
CSCC[C@H](NC(=O)C1=CC(CC2=CC=CC=C2)=CN1)C1=NN=N[N-]1	REAL300020169570	1	44	-1.0	-50.15	387.97	6.36	-43.79
COC(=O)C1=CC=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1C	REAL300020169571	0	42	-1.0	-50.86	362.45	5.29	-45.57
COC(=O)C1=CC=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1C	REAL300020169571	1	42	-1.0	-50.85	362.51	5.30	-45.55
C=CCCC(CC(C)C)C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020169572	0	48	-1.0	-44.49	387.25	6.65	-37.84
C=CCCC(CC(C)C)C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020169572	1	48	-1.0	-44.50	387.30	6.67	-37.83
C=CCC(CC(C)C)C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020169573	0	45	-1.0	-44.99	369.07	5.64	-39.35
C=CCC(CC(C)C)C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020169573	1	45	-1.0	-45.03	369.12	5.65	-39.38
CSCC[C@H](NC(=O)C1(NC(=O)OC(C)(C)C)CC=CC1)C1=N[N-]N=N1	REAL300020169574	0	51	-1.0	-58.35	415.60	3.80	-54.55
CSCC[C@H](NC(=O)C1(NC(=O)OC(C)(C)C)CC=CC1)C1=NN=N[N-]1	REAL300020169574	1	51	-1.0	-58.38	415.66	3.82	-54.56
CSCC[C@H](NC(=O)C1=CC=C2NC(C3=CC=CC=C3)=NC2=C1)C1=N[N-]N=N1	REAL300020169575	0	46	-1.0	-54.69	402.73	6.65	-48.04
CSCC[C@H](NC(=O)C1=CC=C2NC(C3=CC=CC=C3)=NC2=C1)C1=NN=N[N-]1	REAL300020169575	1	46	-1.0	-54.68	402.79	6.67	-48.01
CSCC[C@H](NC(=O)C1=NOC(C(C)(C)C)C1)C1=N[N-]N=N1	REAL300020169576	0	43	-1.0	-41.68	362.24	3.18	-38.50
CSCC[C@H](NC(=O)C1=NOC(C(C)(C)C)C1)C1=NN=N[N-]1	REAL300020169576	1	43	-1.0	-41.73	362.30	3.20	-38.53
CSCC[C@H](NC(=O)C1=CC=C(C2=CSC=C2)C=C1)C1=N[N-]N=N1	REAL300020169577	0	40	-1.0	-46.92	362.50	6.52	-40.40
CSCC[C@H](NC(=O)C1=CC=C(C2=CSC=C2)C=C1)C1=NN=N[N-]1	REAL300020169577	1	40	-1.0	-46.91	362.56	6.53	-40.38
CSCC[C@H](NC(=O)C1=CC=C2CCOC(=O)C2=C1)C1=N[N-]N=N1	REAL300020169578	0	40	-1.0	-57.68	353.32	5.03	-52.65
CSCC[C@H](NC(=O)C1=CC=C2CCOC(=O)C2=C1)C1=NN=N[N-]1	REAL300020169578	1	40	-1.0	-57.67	353.38	5.05	-52.62
CSCC[C@H](NC(=O)C(OCC(C)C)C(C)C)C1=N[N-]N=N1	REAL300020169579	0	48	-1.0	-46.59	393.69	5.60	-40.99
CSCC[C@H](NC(=O)C(OCC(C)C)C(C)C)C1=NN=N[N-]1	REAL300020169579	1	48	-1.0	-46.60	393.75	5.62	-40.98
CSCC[C@H](NC(=O)C1CC2=CC(Br)=CN=C2C1)C1=N[N-]N=N1	REAL300020169580	0	39	-1.0	-45.79	360.64	4.63	-41.16
CSCC[C@H](NC(=O)C1CC2=CC(Br)=CN=C2C1)C1=NN=N[N-]1	REAL300020169580	1	39	-1.0	-45.81	360.69	4.65	-41.16
CSCC[C@H](NC(=O)C1=CC2=C(C)NN=C2C=N1)C1=N[N-]N=N1	REAL300020169581	0	38	-1.0	-50.38	342.87	1.71	-48.67
CSCC[C@H](NC(=O)C1=CC2=C(C)NN=C2C=N1)C1=NN=N[N-]1	REAL300020169581	1	38	-1.0	-50.32	342.92	1.72	-48.60
CSCC[C@H](NC(=O)C1=CN(CC(F)(F)F)C=N1)C1=NN=N[N-]1	REAL300020169582	0	36	-1.0	-53.05	343.75	4.64	-48.41
CSCC[C@H](NC(=O)C1=CN(CC(F)(F)F)C=N1)C1=N[N-]N=N1	REAL300020169582	1	36	-1.0	-53.00	343.69	4.62	-48.38
CSCC[C@H](NC(=O)CCCCC1CSSC1)C1=N[N-]N=N1	REAL300020169583	0	44	-1.0	-48.14	390.00	7.25	-40.89
CSCC[C@H](NC(=O)CCCCC1CSSC1)C1=NN=N[N-]1	REAL300020169583	1	44	-1.0	-48.13	390.06	7.26	-40.87
CNC(=O)N1CCC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)CC1	REAL300020169584	0	45	-1.0	-49.06	372.75	2.07	-46.99
CNC(=O)N1CCC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)CC1	REAL300020169584	1	45	-1.0	-49.04	372.81	2.09	-46.95
CSCC[C@H](NC(=O)C1=CN=CC2=C(Cl)C=CC=C12)C1=NN=N[N-]1	REAL300020169585	0	38	-1.0	-44.57	348.80	5.02	-39.55
CSCC[C@H](NC(=O)C1=CN=CC2=C(Cl)C=CC=C12)C1=N[N-]N=N1	REAL300020169585	1	38	-1.0	-44.56	348.74	5.00	-39.56
CSCC[C@H](NC(=O)C(NC(=O)OC(C)(C)C)C1CCCC1)C1=N[N-]N=N1	REAL300020169586	0	56	-1.0	-53.15	447.30	5.12	-48.03
CSCC[C@H](NC(=O)C(NC(=O)OC(C)(C)C)C1CCCC1)C1=NN=N[N-]1	REAL300020169586	1	56	-1.0	-53.12	447.35	5.14	-47.98
CSCC[C@H](NC(=O)C(CC1=CC=CC=C1)C1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL300020169587	0	49	-1.0	-43.09	424.53	8.91	-34.18
CSCC[C@H](NC(=O)C(CC1=CC=CC=C1)C1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL300020169587	1	49	-1.0	-43.10	424.59	8.92	-34.18
CCCC(OC1=CC=C(Cl)C=C1C)C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020169588	0	49	-1.0	-46.56	421.38	7.79	-38.77
CCCC(OC1=CC=C(Cl)C=C1C)C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020169588	1	49	-1.0	-46.56	421.44	7.81	-38.75
CSCC[C@H](NC(=O)C1=CC(C)=CC2=CC=CN=C21)C1=NN=N[N-]1	REAL300020169589	0	41	-1.0	-56.80	358.03	5.57	-51.23
CSCC[C@H](NC(=O)C1=CC(C)=CC2=CC=CN=C21)C1=N[N-]N=N1	REAL300020169589	1	41	-1.0	-56.78	357.97	5.56	-51.22
CSCC[C@H](NC(=O)C1=CN=C2N=CC=CN12)C1=NN=N[N-]1	REAL300020169590	0	35	-1.0	-52.89	316.65	5.12	-47.77
CSCC[C@H](NC(=O)C1=CN=C2N=CC=CN12)C1=N[N-]N=N1	REAL300020169590	1	35	-1.0	-52.85	316.59	5.11	-47.74
CSCC[C@H](NC(=O)CC1=CC(Br)=CS1)C1=N[N-]N=N1	REAL300020169591	0	33	-1.0	-45.64	333.85	4.49	-41.15
CSCC[C@H](NC(=O)CC1=CC(Br)=CS1)C1=NN=N[N-]1	REAL300020169591	1	33	-1.0	-45.64	333.91	4.51	-41.13
CSCC[C@H](NC(=O)C12CC(C)(C1)OC2C)C1=N[N-]N=N1	REAL300020169592	0	41	-1.0	-45.80	341.77	3.07	-42.73
CSCC[C@H](NC(=O)C12CC(C)(C1)OC2C)C1=NN=N[N-]1	REAL300020169592	1	41	-1.0	-45.80	341.82	3.09	-42.71
CSCC[C@H](NC(=O)C12COC(C=CC1)C2)C1=N[N-]N=N1	REAL300020169593	0	39	-1.0	-43.72	329.10	2.62	-41.10
CSCC[C@H](NC(=O)C12COC(C=CC1)C2)C1=NN=N[N-]1	REAL300020169593	1	39	-1.0	-43.71	329.16	2.64	-41.07
CSCC[C@H](NC(=O)C1=CC=CC=C1C1=CN(C)N=C1)C1=NN=N[N-]1	REAL300020169594	0	43	-1.0	-52.35	373.40	5.40	-46.95
CSCC[C@H](NC(=O)C1=CC=CC=C1C1=CN(C)N=C1)C1=N[N-]N=N1	REAL300020169594	1	43	-1.0	-52.39	373.34	5.38	-47.01
CSCC[C@H](NC(=O)C1=C(C2CCC2)ON=C1)C1=N[N-]N=N1	REAL300020169595	0	39	-1.0	-43.17	342.19	4.43	-38.74
CSCC[C@H](NC(=O)C1=C(C2CCC2)ON=C1)C1=NN=N[N-]1	REAL300020169595	1	39	-1.0	-43.22	342.25	4.44	-38.78
CSCC[C@H](NC(=O)C1=C(C)C=CC2=NC=CC=C21)C1=NN=N[N-]1	REAL300020169596	0	41	-1.0	-47.29	360.41	4.73	-42.56
CSCC[C@H](NC(=O)C1=C(C)C=CC2=NC=CC=C21)C1=N[N-]N=N1	REAL300020169596	1	41	-1.0	-47.30	360.35	4.71	-42.59
CSCC[C@H](NC(=O)C=CC1=CC=C(C2=CC=CC=C2)S1)C1=N[N-]N=N1	REAL300020169597	0	44	-1.0	-47.26	400.31	8.08	-39.18
CSCC[C@H](NC(=O)C=CC1=CC=C(C2=CC=CC=C2)S1)C1=NN=N[N-]1	REAL300020169597	1	44	-1.0	-47.23	400.37	8.10	-39.13
COC1(C2=CC=CC(C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)=C2)COC1	REAL300020169598	0	45	-1.0	-51.41	378.04	3.39	-48.02
COC1(C2=CC=CC(C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)=C2)COC1	REAL300020169598	1	45	-1.0	-51.39	378.09	3.40	-47.99
COCCN1C=CC2=C(C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)C=CC=C21	REAL300020169599	0	47	-1.0	-52.22	404.59	5.77	-46.45
COCCN1C=CC2=C(C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)C=CC=C21	REAL300020169599	1	47	-1.0	-52.20	404.65	5.79	-46.41
CSCC[C@H](NC(=O)C1=C2C=CN(C(C)C)C2=CC=C1)C1=N[N-]N=N1	REAL300020169600	0	46	-1.0	-52.99	389.00	7.19	-45.80
CSCC[C@H](NC(=O)C1=C2C=CN(C(C)C)C2=CC=C1)C1=NN=N[N-]1	REAL300020169600	1	46	-1.0	-52.94	389.06	7.21	-45.73
CSCC[C@H](NC(=O)[C@H](C)C1=CC=C(F)C=C1)C1=N[N-]N=N1	REAL300020169601	0	39	-1.0	-47.40	344.48	5.38	-42.02
CSCC[C@H](NC(=O)[C@H](C)C1=CC=C(F)C=C1)C1=NN=N[N-]1	REAL300020169601	1	39	-1.0	-47.41	344.53	5.40	-42.01
CCC(CC(=O)N[C@@H](CCSC)C1=N[N-]N=N1)CC(F)(F)F	REAL300020169602	0	41	-1.0	-47.30	347.88	4.56	-42.74
CCC(CC(=O)N[C@@H](CCSC)C1=NN=N[N-]1)CC(F)(F)F	REAL300020169602	1	41	-1.0	-47.29	347.93	4.57	-42.72
CSCC[C@H](NC(=O)C1=CC=NN1CC1CC1)C1=NN=N[N-]1	REAL300020169603	0	40	-1.0	-44.59	350.55	4.31	-40.28
CSCC[C@H](NC(=O)C1=CC=NN1CC1CC1)C1=N[N-]N=N1	REAL300020169603	1	40	-1.0	-44.54	350.50	4.30	-40.24
CSCC[C@H](NC(=O)C1CCC(F)(F)CO1)C1=N[N-]N=N1	REAL300020169604	0	37	-1.0	-51.41	328.22	3.32	-48.09
CSCC[C@H](NC(=O)C1CCC(F)(F)CO1)C1=NN=N[N-]1	REAL300020169604	1	37	-1.0	-51.40	328.27	3.34	-48.06
CSCC[C@H](NC(=O)[C@H]1C[C@@H](C)O[C@@H](C)C1)C1=N[N-]N=N1	REAL300020169605	0	43	-1.0	-47.56	356.80	3.45	-44.11
CSCC[C@H](NC(=O)[C@H]1C[C@@H](C)O[C@@H](C)C1)C1=NN=N[N-]1	REAL300020169605	1	43	-1.0	-47.53	356.86	3.47	-44.06
CSCC[C@H](NC(=O)C12COC(C1)CCC2)C1=N[N-]N=N1	REAL300020169606	0	41	-1.0	-45.71	333.44	2.71	-43.00
CSCC[C@H](NC(=O)C12COC(C1)CCC2)C1=NN=N[N-]1	REAL300020169606	1	41	-1.0	-45.74	333.50	2.72	-43.02
CSCC[C@H](NC(=O)C12CCC(C)(C1)OC2)C1=N[N-]N=N1	REAL300020169607	0	41	-1.0	-44.12	343.84	2.77	-41.35
CSCC[C@H](NC(=O)C12CCC(C)(C1)OC2)C1=NN=N[N-]1	REAL300020169607	1	41	-1.0	-44.09	343.90	2.79	-41.30
CSCC[C@H](NC(=O)C(CC1=CC=C(F)C=C1)C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020169608	0	49	-1.0	-46.69	424.55	8.91	-37.78
CSCC[C@H](NC(=O)C(CC1=CC=C(F)C=C1)C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020169608	1	49	-1.0	-46.70	424.61	8.92	-37.78
CSCC[C@H](NC(=O)C1=CC(C2=CC=C(F)C=C2)=NS1)C1=NN=N[N-]1	REAL300020169609	0	39	-1.0	-42.90	368.84	5.38	-37.52
CSCC[C@H](NC(=O)C1=CC(C2=CC=C(F)C=C2)=NS1)C1=N[N-]N=N1	REAL300020169609	1	39	-1.0	-42.87	368.78	5.36	-37.51
CSCC[C@H](NC(=O)C1=CC(C2=CC=C(Cl)C=C2)=NS1)C1=NN=N[N-]1	REAL300020169610	0	39	-1.0	-42.66	379.16	5.83	-36.83
CSCC[C@H](NC(=O)C1=CC(C2=CC=C(Cl)C=C2)=NS1)C1=N[N-]N=N1	REAL300020169610	1	39	-1.0	-42.67	379.10	5.81	-36.86
CSCC[C@H](NC(=O)C1=CC(C2=CC=CC(Cl)=C2)=NS1)C1=NN=N[N-]1	REAL300020169611	0	39	-1.0	-43.77	379.17	5.83	-37.94
CSCC[C@H](NC(=O)C1=CC(C2=CC=CC(Cl)=C2)=NS1)C1=N[N-]N=N1	REAL300020169611	1	39	-1.0	-43.82	379.11	5.81	-38.01
CSCC[C@H](NC(=O)C1=C(C)C2=C(F)C=C(F)C=C2N1)C1=N[N-]N=N1	REAL300020169612	0	40	-1.0	-43.37	359.68	4.77	-38.60
CSCC[C@H](NC(=O)C1=C(C)C2=C(F)C=C(F)C=C2N1)C1=NN=N[N-]1	REAL300020169612	1	40	-1.0	-43.38	359.74	4.78	-38.60
CSCC[C@H](NC(=O)[C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300020169613	0	56	-1.0	-46.57	448.97	4.14	-42.43
CSCC[C@H](NC(=O)[C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300020169613	1	56	-1.0	-46.56	449.02	4.15	-42.41
CSCC[C@H](NC(=O)C1=CC=C(Cl)C(F)=C1F)C1=N[N-]N=N1	REAL300020169614	0	33	-1.0	-48.61	324.53	4.73	-43.88
CSCC[C@H](NC(=O)C1=CC=C(Cl)C(F)=C1F)C1=NN=N[N-]1	REAL300020169614	1	33	-1.0	-48.62	324.59	4.74	-43.88
COC(=O)CC1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020169615	0	42	-1.0	-52.93	374.48	5.52	-47.41
COC(=O)CC1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020169615	1	42	-1.0	-52.96	374.53	5.54	-47.42
CSCC[C@H](NC(=O)C1=CC(F)=C(F)C(F)=C1N)C1=N[N-]N=N1	REAL300020169616	0	35	-1.0	-39.37	325.33	2.52	-36.85
CSCC[C@H](NC(=O)C1=CC(F)=C(F)C(F)=C1N)C1=NN=N[N-]1	REAL300020169616	1	35	-1.0	-39.37	325.39	2.53	-36.84
CSCC[C@H](NC(=O)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300020169617	0	56	-1.0	-56.70	444.87	5.69	-51.01
CSCC[C@H](NC(=O)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300020169617	1	56	-1.0	-56.73	444.93	5.71	-51.02
CSCC[C@H](NC(=O)C1(C)CCN1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300020169618	0	50	-1.0	-45.77	415.63	3.85	-41.92
CSCC[C@H](NC(=O)C1(C)CCN1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300020169618	1	50	-1.0	-45.77	415.69	3.86	-41.91
CSCC[C@H](NC(=O)C1=C(Br)C=CN=C1F)C1=NN=N[N-]1	REAL300020169619	0	32	-1.0	-46.08	322.71	2.64	-43.44
CSCC[C@H](NC(=O)C1=C(Br)C=CN=C1F)C1=N[N-]N=N1	REAL300020169619	1	32	-1.0	-46.07	322.65	2.63	-43.44
CSCC[C@H](NC(=O)C1=C(N)C(F)=CC(F)=C1F)C1=N[N-]N=N1	REAL300020169620	0	35	-1.0	-39.70	332.64	2.01	-37.69
CSCC[C@H](NC(=O)C1=C(N)C(F)=CC(F)=C1F)C1=NN=N[N-]1	REAL300020169620	1	35	-1.0	-39.73	332.70	2.03	-37.70
CSCC[C@H](NC(=O)C1=COC(CNC(=O)OC(C)(C)C)=N1)C1=N[N-]N=N1	REAL300020169621	0	49	-1.0	-46.25	425.03	-0.79	-47.04
CSCC[C@H](NC(=O)C1=COC(CNC(=O)OC(C)(C)C)=N1)C1=NN=N[N-]1	REAL300020169621	1	49	-1.0	-46.30	425.09	-0.78	-47.08
CSCC[C@H](NC(=O)C1=CC(N(C)C)=CC=C1Br)C1=N[N-]N=N1	REAL300020169622	0	41	-1.0	-47.42	364.98	5.12	-42.30
CSCC[C@H](NC(=O)C1=CC(N(C)C)=CC=C1Br)C1=NN=N[N-]1	REAL300020169622	1	41	-1.0	-47.43	365.04	5.13	-42.30
CSCC[C@H](NC(=O)C1=CC=C2C(=C1)CCCS2(=O)=O)C1=N[N-]N=N1	REAL300020169623	0	43	-1.0	-54.11	378.74	2.62	-51.49
CSCC[C@H](NC(=O)C1=CC=C2C(=C1)CCCS2(=O)=O)C1=NN=N[N-]1	REAL300020169623	1	43	-1.0	-54.11	378.79	2.63	-51.48
CSCC[C@H](NC(=O)C1=NN2CC(F)CC2=C1)C1=N[N-]N=N1	REAL300020169624	0	37	-1.0	-49.60	333.46	2.79	-46.81
CSCC[C@H](NC(=O)C1=NN2CC(F)CC2=C1)C1=NN=N[N-]1	REAL300020169624	1	37	-1.0	-49.64	333.52	2.80	-46.84
CSCC[C@H](NC(=O)C12CCN(CCC1)S2(=O)=O)C1=N[N-]N=N1	REAL300020169625	0	42	-1.0	-56.05	356.63	0.28	-55.77
CSCC[C@H](NC(=O)C12CCN(CCC1)S2(=O)=O)C1=NN=N[N-]1	REAL300020169625	1	42	-1.0	-56.02	356.69	0.29	-55.73
CSCC[C@H](NC(=O)C1=CC=CN=C1OC1=CC=CN=C1)C1=NN=N[N-]1	REAL300020169626	0	42	-1.0	-55.89	377.07	3.86	-52.03
CSCC[C@H](NC(=O)C1=CC=CN=C1OC1=CC=CN=C1)C1=N[N-]N=N1	REAL300020169626	1	42	-1.0	-55.91	377.02	3.85	-52.06
CSCC[C@H](NC(=O)C1(C2=CC=CC(C)=C2)CC1(F)F)C1=N[N-]N=N1	REAL300020169627	0	43	-1.0	-46.81	384.44	6.77	-40.04
CSCC[C@H](NC(=O)C1(C2=CC=CC(C)=C2)CC1(F)F)C1=NN=N[N-]1	REAL300020169627	1	43	-1.0	-46.83	384.50	6.78	-40.05
CSCC[C@H](NC(=O)C1=C(C2CC2)ON=C1Br)C1=N[N-]N=N1	REAL300020169628	0	36	-1.0	-40.62	352.35	4.38	-36.24
CSCC[C@H](NC(=O)C1=C(C2CC2)ON=C1Br)C1=NN=N[N-]1	REAL300020169628	1	36	-1.0	-40.63	352.41	4.39	-36.24
CSCC[C@H](NC(=O)C1(C#N)CC2C=CC1C2)C1=N[N-]N=N1	REAL300020169629	0	39	-1.0	-48.07	337.17	4.59	-43.48
CSCC[C@H](NC(=O)C1(C#N)CC2C=CC1C2)C1=NN=N[N-]1	REAL300020169629	1	39	-1.0	-48.06	337.23	4.61	-43.45
CSCC[C@H](NC(=O)C1=CC2=C(N1)C(Br)=CO2)C1=N[N-]N=N1	REAL300020169630	0	34	-1.0	-44.91	333.43	2.73	-42.18
CSCC[C@H](NC(=O)C1=CC2=C(N1)C(Br)=CO2)C1=NN=N[N-]1	REAL300020169630	1	34	-1.0	-44.92	333.48	2.74	-42.18
CSCC[C@H](NC(=O)C1=CC2=C(C=C(C)O2)N1)C1=N[N-]N=N1	REAL300020169631	0	37	-1.0	-47.36	333.62	2.92	-44.44
CSCC[C@H](NC(=O)C1=CC2=C(C=C(C)O2)N1)C1=NN=N[N-]1	REAL300020169631	1	37	-1.0	-47.40	333.68	2.94	-44.46
CSCC[C@H](NC(=O)C1=NC2=CC(C(C)C)=CNC2=C1)C1=N[N-]N=N1	REAL300020169632	0	45	-1.0	-63.33	387.44	4.11	-59.22
CSCC[C@H](NC(=O)C1=NC2=CC(C(C)C)=CNC2=C1)C1=NN=N[N-]1	REAL300020169632	1	45	-1.0	-63.29	387.50	4.13	-59.16
CSCC[C@H](NC(=O)C1=NC2=CC(Br)=CNC2=N1)C1=N[N-]N=N1	REAL300020169634	0	35	-1.0	-63.55	343.48	2.72	-60.83
CSCC[C@H](NC(=O)C1=NC2=CC(Br)=CNC2=N1)C1=NN=N[N-]1	REAL300020169634	1	35	-1.0	-63.58	343.53	2.73	-60.85
CSCC[C@H](NC(=O)[C@@H]1C[C@H]1C1=CC=CC=C1Br)C1=N[N-]N=N1	REAL300020169635	0	40	-1.0	-47.82	368.35	6.60	-41.22
CSCC[C@H](NC(=O)[C@@H]1C[C@H]1C1=CC=CC=C1Br)C1=NN=N[N-]1	REAL300020169635	1	40	-1.0	-47.83	368.40	6.62	-41.21
C=CCN(CCC(=O)N[C@@H](CCSC)C1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL300020169636	0	53	-1.0	-45.51	439.79	5.59	-39.92
C=CCN(CCC(=O)N[C@@H](CCSC)C1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL300020169636	1	53	-1.0	-45.56	439.85	5.61	-39.95
CSCC[C@H](NC(=O)C1=C(C)C2=CC=CC=C2C=C1)C1=N[N-]N=N1	REAL300020169637	0	42	-1.0	-47.48	355.70	6.93	-40.55
CSCC[C@H](NC(=O)C1=C(C)C2=CC=CC=C2C=C1)C1=NN=N[N-]1	REAL300020169637	1	42	-1.0	-47.47	355.75	6.94	-40.53
COC1=CC=CC(CCC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=N1	REAL300020169638	0	42	-1.0	-47.61	369.94	2.32	-45.29
COC1=CC=CC(CCC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=N1	REAL300020169638	1	42	-1.0	-47.64	370.00	2.34	-45.30
CSCC[C@H](NC(=O)C1=NN(C)C2=C1COCC2)C1=N[N-]N=N1	REAL300020169639	0	41	-1.0	-52.19	354.74	1.85	-50.34
CSCC[C@H](NC(=O)C1=NN(C)C2=C1COCC2)C1=NN=N[N-]1	REAL300020169639	1	41	-1.0	-52.14	354.79	1.87	-50.27
CSCC[C@H](NC(=O)[C@H](C)C1=CC=CC(C)=C1)C1=N[N-]N=N1	REAL300020169640	0	42	-1.0	-48.15	359.48	5.98	-42.17
CSCC[C@H](NC(=O)[C@H](C)C1=CC=CC(C)=C1)C1=NN=N[N-]1	REAL300020169640	1	42	-1.0	-48.18	359.54	5.99	-42.19
COC1=CC(C)=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=N1	REAL300020169641	0	39	-1.0	-43.62	340.93	1.51	-42.11
COC1=CC(C)=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=N1	REAL300020169641	1	39	-1.0	-43.63	340.99	1.53	-42.10
CSCC[C@H](NC(=O)C1(C2=CC=C(C)C=C2)CCC(=O)CC1)C1=N[N-]N=N1	REAL300020169642	0	51	-1.0	-48.90	413.81	7.10	-41.80
CSCC[C@H](NC(=O)C1(C2=CC=C(C)C=C2)CCC(=O)CC1)C1=NN=N[N-]1	REAL300020169642	1	51	-1.0	-48.88	413.87	7.11	-41.77
CSCC[C@H](NC(=O)C1(C2CCOCC2)CC1(F)F)C1=N[N-]N=N1	REAL300020169643	0	44	-1.0	-41.85	363.74	3.97	-37.88
CSCC[C@H](NC(=O)C1(C2CCOCC2)CC1(F)F)C1=NN=N[N-]1	REAL300020169643	1	44	-1.0	-41.89	363.80	3.98	-37.91
CSCC[C@H](NC(=O)C1=CC2=C(C=CS2)N1C)C1=N[N-]N=N1	REAL300020169644	0	37	-1.0	-45.95	339.55	4.72	-41.23
CSCC[C@H](NC(=O)C1=CC2=C(C=CS2)N1C)C1=NN=N[N-]1	REAL300020169644	1	37	-1.0	-45.93	339.61	4.74	-41.19
CSCC[C@H](NC(=O)C1=C(C)N(CC(F)F)N=C1)C1=N[N-]N=N1	REAL300020169645	0	39	-1.0	-47.76	353.06	3.44	-44.32
CSCC[C@H](NC(=O)C1=C(C)N(CC(F)F)N=C1)C1=NN=N[N-]1	REAL300020169645	1	39	-1.0	-47.75	353.12	3.46	-44.29
CSCC[C@H](NC(=O)C1=C(C)N(C2CCC2)N=C1)C1=N[N-]N=N1	REAL300020169646	0	43	-1.0	-46.96	366.18	4.53	-42.43
CSCC[C@H](NC(=O)C1=C(C)N(C2CCC2)N=C1)C1=NN=N[N-]1	REAL300020169646	1	43	-1.0	-46.98	366.24	4.55	-42.43
CSCC[C@H](NC(=O)C1=C2CCCCC2=CN1)C1=N[N-]N=N1	REAL300020169647	0	41	-1.0	-48.79	345.39	4.36	-44.43
CSCC[C@H](NC(=O)C1=C2CCCCC2=CN1)C1=NN=N[N-]1	REAL300020169647	1	41	-1.0	-48.80	345.45	4.37	-44.43
COCCOCC=CC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020169648	0	41	-1.0	-49.89	364.55	1.66	-48.23
COCCOCC=CC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020169648	1	41	-1.0	-49.89	364.61	1.67	-48.22
COC1(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)CN(C(=O)OC(C)(C)C)C1	REAL300020169649	0	51	-1.0	-43.46	425.20	2.05	-41.41
COC1(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)CN(C(=O)OC(C)(C)C)C1	REAL300020169649	1	51	-1.0	-43.46	425.26	2.06	-41.40
CSCC[C@H](NC(=O)CC1=C(C)C=CS1)C1=N[N-]N=N1	REAL300020169650	0	36	-1.0	-45.63	331.55	4.45	-41.18
CSCC[C@H](NC(=O)CC1=C(C)C=CS1)C1=NN=N[N-]1	REAL300020169650	1	36	-1.0	-45.58	331.60	4.47	-41.11
CCC(C(=O)N[C@@H](CCSC)C1=NN=N[N-]1)N1C=NC=N1	REAL300020169651	0	38	-1.0	-41.40	337.02	4.41	-36.99
CCC(C(=O)N[C@@H](CCSC)C1=N[N-]N=N1)N1C=NC=N1	REAL300020169651	1	38	-1.0	-41.39	336.96	4.39	-37.00
CSCC[C@H](NC(=O)CN1N=C(C)C(C)=C1C)C1=N[N-]N=N1	REAL300020169652	0	42	-1.0	-49.24	363.69	3.79	-45.45
CSCC[C@H](NC(=O)CN1N=C(C)C(C)=C1C)C1=NN=N[N-]1	REAL300020169652	1	42	-1.0	-49.24	363.75	3.80	-45.44
CSCC[C@H](NC(=O)C1=NN(C)C=C1NC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300020169653	0	50	-1.0	-47.65	421.91	2.24	-45.41
CSCC[C@H](NC(=O)C1=NN(C)C=C1NC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300020169653	1	50	-1.0	-47.64	421.97	2.25	-45.39
C#CCC1(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)CCOC1	REAL300020169654	0	39	-1.0	-44.66	335.23	3.24	-41.42
C#CCC1(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)CCOC1	REAL300020169654	1	39	-1.0	-44.70	335.29	3.25	-41.45
CSCC[C@H](NC(=O)C1=CC=CC(Cl)=C1C(F)(F)F)C1=N[N-]N=N1	REAL300020169655	0	36	-1.0	-47.43	344.70	5.30	-42.13
CSCC[C@H](NC(=O)C1=CC=CC(Cl)=C1C(F)(F)F)C1=NN=N[N-]1	REAL300020169655	1	36	-1.0	-47.44	344.75	5.32	-42.12
CSCC[C@H](NC(=O)C1(C2=CC=C(Cl)C=C2F)CC1)C1=N[N-]N=N1	REAL300020169656	0	40	-1.0	-52.61	372.11	6.53	-46.08
CSCC[C@H](NC(=O)C1(C2=CC=C(Cl)C=C2F)CC1)C1=NN=N[N-]1	REAL300020169656	1	40	-1.0	-52.61	372.16	6.55	-46.06
CSCC[C@H](NC(=O)C1=CSC(C(C)=O)=N1)C1=N[N-]N=N1	REAL300020169657	0	34	-1.0	-51.98	328.90	1.63	-50.35
CSCC[C@H](NC(=O)C1=CSC(C(C)=O)=N1)C1=NN=N[N-]1	REAL300020169657	1	34	-1.0	-51.99	328.96	1.64	-50.35
COC1=NN(C)C(Br)=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020169658	0	37	-1.0	-46.25	357.67	0.19	-46.06
COC1=NN(C)C(Br)=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020169658	1	37	-1.0	-46.26	357.61	0.17	-46.09
CSCC[C@H](NC(=O)C1=CC=C(NC(C)=O)C=C1F)C1=N[N-]N=N1	REAL300020169659	0	40	-1.0	-53.07	358.34	3.05	-50.02
CSCC[C@H](NC(=O)C1=CC=C(NC(C)=O)C=C1F)C1=NN=N[N-]1	REAL300020169659	1	40	-1.0	-53.05	358.40	3.07	-49.98
CSCC[C@H](NC(=O)CC1=CC(C(F)(F)F)=CO1)C1=N[N-]N=N1	REAL300020169660	0	36	-1.0	-48.09	343.73	3.97	-44.12
CSCC[C@H](NC(=O)CC1=CC(C(F)(F)F)=CO1)C1=NN=N[N-]1	REAL300020169660	1	36	-1.0	-48.08	343.79	3.98	-44.10
CSCC[C@H](NC(=O)C1=CC=CC(C2(S(C)(=O)=O)CC2)=C1)C1=N[N-]N=N1	REAL300020169661	0	46	-1.0	-61.49	411.27	3.62	-57.87
CSCC[C@H](NC(=O)C1=CC=CC(C2(S(C)(=O)=O)CC2)=C1)C1=NN=N[N-]1	REAL300020169661	1	46	-1.0	-61.51	411.33	3.64	-57.87
CSCC[C@H](NC(=O)C1=CC2=C(C)SC(C)=C2S1)C1=N[N-]N=N1	REAL300020169662	0	39	-1.0	-46.94	371.36	6.05	-40.89
CSCC[C@H](NC(=O)C1=CC2=C(C)SC(C)=C2S1)C1=NN=N[N-]1	REAL300020169662	1	39	-1.0	-46.92	371.42	6.06	-40.86
CSCC[C@H](NC(=O)C1=CN2N=CC=C2C=C1)C1=NN=N[N-]1	REAL300020169663	0	36	-1.0	-48.39	324.70	3.90	-44.49
CSCC[C@H](NC(=O)C1=CN2N=CC=C2C=C1)C1=N[N-]N=N1	REAL300020169663	1	36	-1.0	-48.38	324.64	3.88	-44.50
CSCC[C@H](NC(=O)C1CCCC2=NN=CN21)C1=N[N-]N=N1	REAL300020169664	0	39	-1.0	-44.12	329.21	4.86	-39.26
CSCC[C@H](NC(=O)C1CCCC2=NN=CN21)C1=NN=N[N-]1	REAL300020169664	1	39	-1.0	-44.12	329.27	4.87	-39.25
CSCC[C@H](NC(=O)CC1CCCC(C)(C)O1)C1=N[N-]N=N1	REAL300020169665	0	46	-1.0	-50.54	371.00	4.82	-45.72
CSCC[C@H](NC(=O)CC1CCCC(C)(C)O1)C1=NN=N[N-]1	REAL300020169665	1	46	-1.0	-50.54	371.06	4.84	-45.70
COC(C(=O)N[C@@H](CCSC)C1=NN=N[N-]1)C1=CC=CN=C1	REAL300020169666	0	39	-1.0	-48.26	348.98	3.14	-45.12
COC(C(=O)N[C@@H](CCSC)C1=N[N-]N=N1)C1=CC=CN=C1	REAL300020169666	1	39	-1.0	-48.26	348.92	3.12	-45.14
CSCC[C@H](NC(=O)[C@]1(C)CC[C@@H](NC(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300020169667	0	56	-1.0	-56.56	449.29	4.03	-52.53
CSCC[C@H](NC(=O)[C@]1(C)CC[C@@H](NC(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300020169667	1	56	-1.0	-56.60	449.35	4.04	-52.56
CCN1C(=O)CCC1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020169668	0	40	-1.0	-51.32	347.33	3.23	-48.09
CCN1C(=O)CCC1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020169668	1	40	-1.0	-51.36	347.39	3.25	-48.11
CSCC[C@H](NC(=O)[C@@H]1C[C@@]2(C)CCCN2S1(=O)=O)C1=N[N-]N=N1	REAL300020169669	0	45	-1.0	-46.45	367.77	0.99	-45.46
CSCC[C@H](NC(=O)[C@@H]1C[C@@]2(C)CCCN2S1(=O)=O)C1=NN=N[N-]1	REAL300020169669	1	45	-1.0	-46.48	367.83	1.00	-45.48
CSCC[C@H](NC(=O)CN1C=CC2=CC(F)=CC=C21)C1=N[N-]N=N1	REAL300020169670	0	40	-1.0	-50.75	361.82	6.31	-44.44
CSCC[C@H](NC(=O)CN1C=CC2=CC(F)=CC=C21)C1=NN=N[N-]1	REAL300020169670	1	40	-1.0	-50.78	361.88	6.33	-44.45
CSCC[C@H](NC(=O)C1=CC2=C(CC(C)(C)CC2=O)OC1=O)C1=N[N-]N=N1	REAL300020169671	0	47	-1.0	-55.47	400.35	5.94	-49.53
CSCC[C@H](NC(=O)C1=CC2=C(CC(C)(C)CC2=O)OC1=O)C1=NN=N[N-]1	REAL300020169671	1	47	-1.0	-55.46	400.41	5.96	-49.50
CSCC[C@H](NC(=O)C1=CC2=C(CCCC2=O)OC1=O)C1=N[N-]N=N1	REAL300020169672	0	41	-1.0	-57.38	363.32	4.95	-52.43
CSCC[C@H](NC(=O)C1=CC2=C(CCCC2=O)OC1=O)C1=NN=N[N-]1	REAL300020169672	1	41	-1.0	-57.40	363.38	4.97	-52.43
COC1=CC2=NC=CC(C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)=C2C=C1	REAL300020169673	0	42	-1.0	-46.36	363.11	3.78	-42.58
COC1=CC2=NC=CC(C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)=C2C=C1	REAL300020169673	1	42	-1.0	-46.32	363.05	3.77	-42.55
CSCC[C@H](NC(=O)C1=CC=NC2=C1CCC2)C1=N[N-]N=N1	REAL300020169674	0	39	-1.0	-46.05	335.39	4.17	-41.88
CSCC[C@H](NC(=O)C1=CC=NC2=C1CCC2)C1=NN=N[N-]1	REAL300020169674	1	39	-1.0	-46.04	335.45	4.18	-41.86
CCSC1CCC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)CC1	REAL300020169675	0	46	-1.0	-51.71	379.76	6.12	-45.59
CCSC1CCC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)CC1	REAL300020169675	1	46	-1.0	-51.69	379.82	6.13	-45.56
CSCC[C@H](NC(=O)CCC1=CC(C)=NC(C)=C1)C1=N[N-]N=N1	REAL300020169676	0	44	-1.0	-46.06	381.66	5.02	-41.04
CSCC[C@H](NC(=O)CCC1=CC(C)=NC(C)=C1)C1=NN=N[N-]1	REAL300020169676	1	44	-1.0	-46.04	381.72	5.04	-41.00
CSCC[C@H](NC(=O)C1=CC2=CC=C(C)C=C2C=C1)C1=N[N-]N=N1	REAL300020169677	0	42	-1.0	-47.85	364.95	7.01	-40.84
CSCC[C@H](NC(=O)C1=CC2=CC=C(C)C=C2C=C1)C1=NN=N[N-]1	REAL300020169677	1	42	-1.0	-47.86	365.00	7.03	-40.83
CSCC[C@H](NC(=O)[C@H]1CC(C)(C)CN1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300020169678	0	56	-1.0	-60.05	452.02	5.50	-54.55
CSCC[C@H](NC(=O)[C@H]1CC(C)(C)CN1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300020169678	1	56	-1.0	-60.10	452.08	5.51	-54.59
CSCC[C@H](NC(=O)CCC1=CC=CC(=O)N1)C1=N[N-]N=N1	REAL300020169679	0	39	-1.0	-51.65	348.20	2.35	-49.30
CSCC[C@H](NC(=O)CCC1=CC=CC(=O)N1)C1=NN=N[N-]1	REAL300020169679	1	39	-1.0	-51.67	348.26	2.37	-49.30
CSCC[C@H](NC(=O)C1=CSC(Cl)=C1Cl)C1=N[N-]N=N1	REAL300020169680	0	30	-1.0	-46.90	318.86	4.12	-42.78
CSCC[C@H](NC(=O)C1=CSC(Cl)=C1Cl)C1=NN=N[N-]1	REAL300020169680	1	30	-1.0	-46.88	318.92	4.14	-42.74
CSCC[C@H](NC(=O)C1=CC=CC(N2CCOCC2=O)=C1)C1=N[N-]N=N1	REAL300020169681	0	45	-1.0	-54.26	390.86	3.56	-50.70
CSCC[C@H](NC(=O)C1=CC=CC(N2CCOCC2=O)=C1)C1=NN=N[N-]1	REAL300020169681	1	45	-1.0	-54.26	390.91	3.57	-50.69
CSCC[C@H](NC(=O)C1=CN(C2CCC2)N=C1C)C1=N[N-]N=N1	REAL300020169682	0	43	-1.0	-48.26	365.98	4.42	-43.84
CSCC[C@H](NC(=O)C1=CN(C2CCC2)N=C1C)C1=NN=N[N-]1	REAL300020169682	1	43	-1.0	-48.27	366.03	4.43	-43.84
CSCC[C@H](NC(=O)C1=CN(C2=CC=CC(F)=C2)N=C1)C1=NN=N[N-]1	REAL300020169683	0	40	-1.0	-47.37	364.97	5.31	-42.06
CSCC[C@H](NC(=O)C1=CN(C2=CC=CC(F)=C2)N=C1)C1=N[N-]N=N1	REAL300020169683	1	40	-1.0	-47.32	364.91	5.30	-42.02
CSCC[C@H](NC(=O)C1=CNC=C1Br)C1=N[N-]N=N1	REAL300020169684	0	31	-1.0	-52.57	304.26	2.58	-49.99
CSCC[C@H](NC(=O)C1=CNC=C1Br)C1=NN=N[N-]1	REAL300020169684	1	31	-1.0	-52.60	304.32	2.59	-50.01
CSCC[C@H](NC(=O)CCNC(=O)C1=CC=CC(Cl)=C1)C1=N[N-]N=N1	REAL300020169685	0	43	-1.0	-56.29	395.37	3.71	-52.58
CSCC[C@H](NC(=O)CCNC(=O)C1=CC=CC(Cl)=C1)C1=NN=N[N-]1	REAL300020169685	1	43	-1.0	-56.21	395.43	3.73	-52.48
CCC1=C(C)SC=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020169686	0	39	-1.0	-46.35	347.30	5.18	-41.17
CCC1=C(C)SC=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020169686	1	39	-1.0	-46.32	347.36	5.20	-41.12
CSCC[C@H](NC(=O)C1CC(OC(F)(F)F)C1)C1=N[N-]N=N1	REAL300020169687	0	37	-1.0	-47.87	341.13	2.61	-45.26
CSCC[C@H](NC(=O)C1CC(OC(F)(F)F)C1)C1=NN=N[N-]1	REAL300020169687	1	37	-1.0	-47.89	341.19	2.63	-45.26
CSCC[C@H](NC(=O)C1=CC(S(C)(=O)=O)=CO1)C1=N[N-]N=N1	REAL300020169688	0	36	-1.0	-54.95	344.81	-0.44	-55.39
CSCC[C@H](NC(=O)C1=CC(S(C)(=O)=O)=CO1)C1=NN=N[N-]1	REAL300020169688	1	36	-1.0	-54.90	344.86	-0.43	-55.33
CSCC[C@H](NC(=O)CC1=CC=C2COCCC2=C1)C1=N[N-]N=N1	REAL300020169689	0	44	-1.0	-49.28	375.87	4.85	-44.43
CSCC[C@H](NC(=O)CC1=CC=C2COCCC2=C1)C1=NN=N[N-]1	REAL300020169689	1	44	-1.0	-49.31	375.93	4.86	-44.45
CSCC[C@H](NC(=O)CC1=CC=C2CCOCC2=C1)C1=N[N-]N=N1	REAL300020169690	0	44	-1.0	-48.07	375.88	4.85	-43.22
CSCC[C@H](NC(=O)CC1=CC=C2CCOCC2=C1)C1=NN=N[N-]1	REAL300020169690	1	44	-1.0	-48.09	375.93	4.86	-43.23
CSCC[C@H](NC(=O)C1=CN=CC(C2=CC=CC(F)=C2)=C1)C1=NN=N[N-]1	REAL300020169691	0	42	-1.0	-44.81	373.38	5.80	-39.01
CSCC[C@H](NC(=O)C1=CN=CC(C2=CC=CC(F)=C2)=C1)C1=N[N-]N=N1	REAL300020169691	1	42	-1.0	-44.80	373.32	5.78	-39.02
CSCC[C@H](NC(=O)C1=CC=C(Br)C(C)=N1)C1=N[N-]N=N1	REAL300020169692	0	35	-1.0	-43.53	334.46	3.48	-40.05
CSCC[C@H](NC(=O)C1=CC=C(Br)C(C)=N1)C1=NN=N[N-]1	REAL300020169692	1	35	-1.0	-43.54	334.52	3.49	-40.05
COC1=CC(Br)=CN=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020169693	0	36	-1.0	-47.50	343.62	3.55	-43.95
COC1=CC(Br)=CN=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020169693	1	36	-1.0	-47.47	343.57	3.52	-43.95
CSCC[C@H](NC(=O)C1=CC=C2C(=C1)C(=O)CCS2(=O)=O)C1=N[N-]N=N1	REAL300020169694	0	42	-1.0	-56.54	380.75	1.74	-54.80
CSCC[C@H](NC(=O)C1=CC=C2C(=C1)C(=O)CCS2(=O)=O)C1=NN=N[N-]1	REAL300020169694	1	42	-1.0	-56.57	380.80	1.75	-54.82
CSCC[C@H](NC(=O)C1CCOC(=O)CC1)C1=N[N-]N=N1	REAL300020169695	0	39	-1.0	-54.22	331.74	3.52	-50.70
CSCC[C@H](NC(=O)C1CCOC(=O)CC1)C1=NN=N[N-]1	REAL300020169695	1	39	-1.0	-54.20	331.80	3.53	-50.67
CSCC[C@H](NC(=O)C1=CC=C2SCCC(=O)C2=C1)C1=N[N-]N=N1	REAL300020169696	0	40	-1.0	-52.57	362.00	5.38	-47.19
CSCC[C@H](NC(=O)C1=CC=C2SCCC(=O)C2=C1)C1=NN=N[N-]1	REAL300020169696	1	40	-1.0	-52.50	362.05	5.40	-47.10
CCN1N=NC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1C	REAL300020169697	0	38	-1.0	-47.08	336.08	1.76	-45.32
CCN1N=NC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1C	REAL300020169697	1	38	-1.0	-47.08	336.13	1.77	-45.31
CCC1=CC=C(N2C=C(C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)N=N2)C=C1	REAL300020169698	0	45	-1.0	-45.94	397.77	5.23	-40.71
CCC1=CC=C(N2C=C(C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)N=N2)C=C1	REAL300020169698	1	45	-1.0	-45.94	397.71	5.22	-40.72
CSCC[C@H](NC(=O)C1=CC=C2C(=O)NC(=S)[N-]C2=C1)C1=N[N-]N=N1	REAL300020169699	0	38	-2.0	-87.62	361.56	2.73	-84.89
CSCC[C@H](NC(=O)C1=CC=C2C(=O)NC(=S)[N-]C2=C1)C1=NN=N[N-]1	REAL300020169699	1	38	-2.0	-87.63	361.61	2.74	-84.89
CSCC[C@H](NC(=O)C1=CN(C)C(=O)C(C)=C1)C1=N[N-]N=N1	REAL300020169700	0	39	-1.0	-45.86	343.32	3.55	-42.31
CSCC[C@H](NC(=O)C1=CN(C)C(=O)C(C)=C1)C1=NN=N[N-]1	REAL300020169700	1	39	-1.0	-45.89	343.38	3.57	-42.32
CSCC[C@H](NC(=O)CC1CCCC(F)(F)C1)C1=N[N-]N=N1	REAL300020169701	0	42	-1.0	-50.74	353.12	5.16	-45.58
CSCC[C@H](NC(=O)CC1CCCC(F)(F)C1)C1=NN=N[N-]1	REAL300020169701	1	42	-1.0	-50.75	353.17	5.18	-45.57
CSCC[C@H](NC(=O)C(CCC1=CC=CC=C1)CC(C)C)C1=N[N-]N=N1	REAL300020169702	0	54	-1.0	-48.92	436.94	9.20	-39.72
CSCC[C@H](NC(=O)C(CCC1=CC=CC=C1)CC(C)C)C1=NN=N[N-]1	REAL300020169702	1	54	-1.0	-48.93	437.00	9.21	-39.72
CSCC[C@H](NC(=O)CC1CC(C(F)F)C1)C1=N[N-]N=N1	REAL300020169703	0	39	-1.0	-45.14	341.75	4.68	-40.46
CSCC[C@H](NC(=O)CC1CC(C(F)F)C1)C1=NN=N[N-]1	REAL300020169703	1	39	-1.0	-45.12	341.81	4.70	-40.42
CCC1=NC2=CC(F)=CC=C2C=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020169704	0	44	-1.0	-45.92	379.98	5.90	-40.02
CCC1=NC2=CC(F)=CC=C2C=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020169704	1	44	-1.0	-45.93	380.04	5.92	-40.01
CSCC[C@H](NC(=O)C1=CC(F)=CC(N2N=NN=C2C)=C1)C1=N[N-]N=N1	REAL300020169705	0	41	-1.0	-43.02	372.70	4.22	-38.80
CSCC[C@H](NC(=O)C1=CC(F)=CC(N2N=NN=C2C)=C1)C1=NN=N[N-]1	REAL300020169705	1	41	-1.0	-43.02	372.75	4.24	-38.78
CSCC[C@H](NC(=O)C1=CC=C2C(=C1)C(=O)CCC2(C)C)C1=N[N-]N=N1	REAL300020169706	0	48	-1.0	-54.49	395.90	6.50	-47.99
CSCC[C@H](NC(=O)C1=CC=C2C(=C1)C(=O)CCC2(C)C)C1=NN=N[N-]1	REAL300020169706	1	48	-1.0	-54.51	395.95	6.51	-48.00
CSCC[C@H](NC(=O)C1=C(Cl)C=C(C)S1)C1=N[N-]N=N1	REAL300020169707	0	33	-1.0	-46.61	325.18	4.40	-42.21
CSCC[C@H](NC(=O)C1=C(Cl)C=C(C)S1)C1=NN=N[N-]1	REAL300020169707	1	33	-1.0	-46.63	325.24	4.42	-42.21
CSCC[C@H](NC(=O)C1CCC(=O)N(C2CC2)C1)C1=N[N-]N=N1	REAL300020169708	0	44	-1.0	-46.29	367.78	3.76	-42.53
CSCC[C@H](NC(=O)C1CCC(=O)N(C2CC2)C1)C1=NN=N[N-]1	REAL300020169708	1	44	-1.0	-46.35	367.84	3.78	-42.57
CSCC[C@H](NC(=O)CC1=CC=C(N2CCOCC2)C=C1)C1=N[N-]N=N1	REAL300020169709	0	49	-1.0	-48.34	406.16	3.59	-44.75
CSCC[C@H](NC(=O)CC1=CC=C(N2CCOCC2)C=C1)C1=NN=N[N-]1	REAL300020169709	1	49	-1.0	-48.33	406.22	3.61	-44.72
CSCC[C@H](NC(=O)[C@@H]1C[C@H]1C1=CC=C2OCCOC2=C1)C1=N[N-]N=N1	REAL300020169710	0	46	-1.0	-48.99	394.58	5.27	-43.72
CSCC[C@H](NC(=O)[C@@H]1C[C@H]1C1=CC=C2OCCOC2=C1)C1=NN=N[N-]1	REAL300020169710	1	46	-1.0	-49.00	394.63	5.28	-43.72
CSCC[C@H](NC(=O)C1=CC(Cl)=NC=C1C#N)C1=NN=N[N-]1	REAL300020169711	0	33	-1.0	-47.01	327.23	3.01	-44.00
CSCC[C@H](NC(=O)C1=CC(Cl)=NC=C1C#N)C1=N[N-]N=N1	REAL300020169711	1	33	-1.0	-47.03	327.17	2.99	-44.04
CSCC[C@H](NC(=O)C1=CC=CC2=C1C(=O)NC2)C1=N[N-]N=N1	REAL300020169712	0	38	-1.0	-64.72	334.12	3.05	-61.67
CSCC[C@H](NC(=O)C1=CC=CC2=C1C(=O)NC2)C1=NN=N[N-]1	REAL300020169712	1	38	-1.0	-64.69	334.17	3.06	-61.63
CSCC[C@H](NC(=O)C1CCC(=O)N(CC(F)(F)F)C1)C1=N[N-]N=N1	REAL300020169713	0	43	-1.0	-47.45	376.11	3.62	-43.83
CSCC[C@H](NC(=O)C1CCC(=O)N(CC(F)(F)F)C1)C1=NN=N[N-]1	REAL300020169713	1	43	-1.0	-47.46	376.17	3.63	-43.83
CCC1=CC=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1Cl	REAL300020169714	0	39	-1.0	-44.28	352.97	5.88	-38.40
CCC1=CC=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1Cl	REAL300020169714	1	39	-1.0	-44.30	353.02	5.89	-38.41
CSCC[C@H](NC(=O)C1=NC(N2CCOCC2)=NC=C1C)C1=NN=N[N-]1	REAL300020169715	0	47	-1.0	-44.28	394.55	3.22	-41.06
CSCC[C@H](NC(=O)C1=NC(N2CCOCC2)=NC=C1C)C1=N[N-]N=N1	REAL300020169715	1	47	-1.0	-44.22	394.50	3.21	-41.01
CSCC[C@H](NC(=O)C1=CC=C(CC2CC2)C=C1)C1=N[N-]N=N1	REAL300020169716	0	43	-1.0	-46.64	372.02	7.08	-39.56
CSCC[C@H](NC(=O)C1=CC=C(CC2CC2)C=C1)C1=NN=N[N-]1	REAL300020169716	1	43	-1.0	-46.66	372.08	7.10	-39.56
CSCC[C@H](NC(=O)C1=CC(Br)=C2OC=CC2=C1)C1=N[N-]N=N1	REAL300020169717	0	36	-1.0	-45.85	346.07	5.06	-40.79
CSCC[C@H](NC(=O)C1=CC(Br)=C2OC=CC2=C1)C1=NN=N[N-]1	REAL300020169717	1	36	-1.0	-45.83	346.12	5.07	-40.76
CSCC[C@H](NC(=O)C1=C(Cl)C2=NC=CC=C2S1)C1=NN=N[N-]1	REAL300020169718	0	35	-1.0	-50.60	344.84	4.14	-46.46
CSCC[C@H](NC(=O)C1=C(Cl)C2=NC=CC=C2S1)C1=N[N-]N=N1	REAL300020169718	1	35	-1.0	-50.59	344.78	4.13	-46.46
CSCC[C@H](NC(=O)CCC1=CC=C(C#N)C=C1F)C1=N[N-]N=N1	REAL300020169719	0	40	-1.0	-45.65	369.84	5.98	-39.67
CSCC[C@H](NC(=O)CCC1=CC=C(C#N)C=C1F)C1=NN=N[N-]1	REAL300020169719	1	40	-1.0	-45.64	369.90	5.99	-39.65
CSCC[C@H](NC(=O)C1=CC2=C(C=C1F)OCC(=O)N2)C1=N[N-]N=N1	REAL300020169720	0	39	-1.0	-49.30	352.78	1.40	-47.90
CSCC[C@H](NC(=O)C1=CC2=C(C=C1F)OCC(=O)N2)C1=NN=N[N-]1	REAL300020169720	1	39	-1.0	-49.33	352.84	1.41	-47.92
CSCC[C@H](NC(=O)C1=CN=C2CCCCC2=C1)C1=N[N-]N=N1	REAL300020169721	0	42	-1.0	-45.59	355.51	4.76	-40.83
CSCC[C@H](NC(=O)C1=CN=C2CCCCC2=C1)C1=NN=N[N-]1	REAL300020169721	1	42	-1.0	-45.61	355.57	4.77	-40.84
CCC1=CC=C([N+](=O)[O-])C=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020169722	0	41	-1.0	-45.44	360.02	6.17	-39.27
CCC1=CC=C([N+](=O)[O-])C=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020169722	1	41	-1.0	-45.46	360.07	6.19	-39.27
CSCC[C@H](NC(=O)C1CCC1C1=CC=CC=C1Cl)C1=N[N-]N=N1	REAL300020169723	0	43	-1.0	-44.13	374.03	6.77	-37.36
CSCC[C@H](NC(=O)C1CCC1C1=CC=CC=C1Cl)C1=NN=N[N-]1	REAL300020169723	1	43	-1.0	-44.14	374.09	6.78	-37.36
COCCN1C=CC2=CC(C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)=CC=C21	REAL300020169724	0	47	-1.0	-50.51	406.78	5.80	-44.71
COCCN1C=CC2=CC(C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)=CC=C21	REAL300020169724	1	47	-1.0	-50.45	406.84	5.81	-44.64
CSCC[C@H](NC(=O)C1=CC=C2C(=C1)C=CN2C(C)C)C1=N[N-]N=N1	REAL300020169725	0	46	-1.0	-50.52	391.14	7.21	-43.31
CSCC[C@H](NC(=O)C1=CC=C2C(=C1)C=CN2C(C)C)C1=NN=N[N-]1	REAL300020169725	1	46	-1.0	-50.53	391.19	7.23	-43.30
CSCC[C@H](NC(=O)C=CC1=CC=C2OCOC2=C1)C1=N[N-]N=N1	REAL300020169726	0	40	-1.0	-48.20	358.11	3.95	-44.25
CSCC[C@H](NC(=O)C=CC1=CC=C2OCOC2=C1)C1=NN=N[N-]1	REAL300020169726	1	40	-1.0	-48.22	358.17	3.96	-44.26
CSCC[C@H](NC(=O)C1CCOCC1(C)C)C1=N[N-]N=N1	REAL300020169727	0	43	-1.0	-46.34	342.00	2.96	-43.38
CSCC[C@H](NC(=O)C1CCOCC1(C)C)C1=NN=N[N-]1	REAL300020169727	1	43	-1.0	-46.33	342.06	2.98	-43.35
CSCC[C@H](NC(=O)C1=CC=CC2=NN=CN21)C1=NN=N[N-]1	REAL300020169728	0	35	-1.0	-52.23	315.57	5.06	-47.17
CSCC[C@H](NC(=O)C1=CC=CC2=NN=CN21)C1=N[N-]N=N1	REAL300020169728	1	35	-1.0	-52.17	315.52	5.05	-47.12
C=CCOCC(C(=O)N[C@@H](CCSC)C1=N[N-]N=N1)C(C)(C)C	REAL300020169729	0	49	-1.0	-43.66	392.48	5.78	-37.88
C=CCOCC(C(=O)N[C@@H](CCSC)C1=NN=N[N-]1)C(C)(C)C	REAL300020169729	1	49	-1.0	-43.63	392.55	5.79	-37.84
CSCC[C@H](NC(=O)C1CC2(C)CCCN2S1(=O)=O)C1=N[N-]N=N1	REAL300020169730	0	45	-1.0	-46.05	369.52	0.87	-45.18
CSCC[C@H](NC(=O)C1CC2(C)CCCN2S1(=O)=O)C1=NN=N[N-]1	REAL300020169730	1	45	-1.0	-46.07	369.58	0.88	-45.19
CSCC[C@H](NC(=O)C1=C(C(F)F)C=NN1C)C1=NN=N[N-]1	REAL300020169731	0	36	-1.0	-45.04	335.44	2.51	-42.53
CSCC[C@H](NC(=O)C1=C(C(F)F)C=NN1C)C1=N[N-]N=N1	REAL300020169731	1	36	-1.0	-45.01	335.38	2.50	-42.51
CSCC[C@H](NC(=O)C1=CC(C)=NN1C1CCC1)C1=N[N-]N=N1	REAL300020169732	0	43	-1.0	-45.47	365.44	4.69	-40.78
CSCC[C@H](NC(=O)C1=CC(C)=NN1C1CCC1)C1=NN=N[N-]1	REAL300020169732	1	43	-1.0	-45.47	365.50	4.71	-40.76
CSCC[C@H](NC(=O)C1=CC=NN1CCC(F)(F)F)C1=NN=N[N-]1	REAL300020169733	0	39	-1.0	-44.19	359.32	3.83	-40.36
CSCC[C@H](NC(=O)C1=CC=NN1CCC(F)(F)F)C1=N[N-]N=N1	REAL300020169733	1	39	-1.0	-44.17	359.26	3.81	-40.36
COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020169734	0	44	-1.0	-48.30	393.97	6.02	-42.28
COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020169734	1	44	-1.0	-48.30	394.03	6.04	-42.26
CSCC[C@H](NC(=O)CC1OCCCC1(C)C)C1=N[N-]N=N1	REAL300020169735	0	46	-1.0	-46.95	365.86	4.48	-42.47
CSCC[C@H](NC(=O)CC1OCCCC1(C)C)C1=NN=N[N-]1	REAL300020169735	1	46	-1.0	-46.98	365.91	4.49	-42.49
CSCC[C@H](NC(=O)C1=CC(C2=C(Cl)C=NN2C)=NO1)C1=N[N-]N=N1	REAL300020169736	0	39	-1.0	-42.81	371.72	3.09	-39.72
CSCC[C@H](NC(=O)C1=CC(C2=C(Cl)C=NN2C)=NO1)C1=NN=N[N-]1	REAL300020169736	1	39	-1.0	-42.85	371.78	3.11	-39.74
CSCC[C@H](NC(=O)C=CC1=CC=C(Cl)C=C1F)C1=N[N-]N=N1	REAL300020169737	0	37	-1.0	-47.43	354.30	5.83	-41.60
CSCC[C@H](NC(=O)C=CC1=CC=C(Cl)C=C1F)C1=NN=N[N-]1	REAL300020169737	1	37	-1.0	-47.45	354.36	5.84	-41.61
CSCC[C@H](NC(=O)C(COC(C)C)NC(C)=O)C1=N[N-]N=N1	REAL300020169738	0	46	-1.0	-49.85	389.97	2.10	-47.75
CSCC[C@H](NC(=O)C(COC(C)C)NC(C)=O)C1=NN=N[N-]1	REAL300020169738	1	46	-1.0	-49.85	390.03	2.11	-47.74
CSCC[C@H](NC(=O)CCC1COC(C)(C)O1)C1=N[N-]N=N1	REAL300020169739	0	44	-1.0	-47.12	373.46	2.95	-44.17
CSCC[C@H](NC(=O)CCC1COC(C)(C)O1)C1=NN=N[N-]1	REAL300020169739	1	44	-1.0	-47.14	373.52	2.97	-44.17
CCCCOC1=CC=C(C=CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020169740	0	50	-1.0	-46.60	426.33	7.09	-39.51
CCCCOC1=CC=C(C=CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020169740	1	50	-1.0	-46.59	426.39	7.10	-39.49
COC1=CC2=CC=C(CC(=O)N[C@@H](CCSC)C3=N[N-]N=N3)C=C2C=C1	REAL300020169741	0	46	-1.0	-49.32	397.62	6.31	-43.01
COC1=CC2=CC=C(CC(=O)N[C@@H](CCSC)C3=NN=N[N-]3)C=C2C=C1	REAL300020169741	1	46	-1.0	-49.32	397.67	6.33	-42.99
CSCC[C@H](NC(=O)C(CC1=CC=CC=C1)CC(C)C)C1=N[N-]N=N1	REAL300020169742	0	51	-1.0	-44.74	412.58	7.89	-36.85
CSCC[C@H](NC(=O)C(CC1=CC=CC=C1)CC(C)C)C1=NN=N[N-]1	REAL300020169742	1	51	-1.0	-44.71	412.63	7.91	-36.80
COC1=NC=C(Cl)C(C)=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020169743	0	39	-1.0	-47.47	362.03	1.68	-45.79
COC1=NC=C(Cl)C(C)=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020169743	1	39	-1.0	-47.45	362.09	1.70	-45.75
COC1=CC=C(OC)C([N+](=O)[O-])=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020169744	0	43	-1.0	-57.50	389.94	3.38	-54.12
COC1=CC=C(OC)C([N+](=O)[O-])=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020169744	1	43	-1.0	-57.51	390.00	3.40	-54.11
CSCC[C@H](NC(=O)C12CCC(C)(CC1)CO2)C1=N[N-]N=N1	REAL300020169745	0	44	-1.0	-47.33	356.23	3.58	-43.75
CSCC[C@H](NC(=O)C12CCC(C)(CC1)CO2)C1=NN=N[N-]1	REAL300020169745	1	44	-1.0	-47.33	356.29	3.60	-43.73
CSCC[C@H](NC(=O)C1=CC=C2C=COC2=C1)C1=N[N-]N=N1	REAL300020169746	0	36	-1.0	-49.30	324.69	4.44	-44.86
CSCC[C@H](NC(=O)C1=CC=C2C=COC2=C1)C1=NN=N[N-]1	REAL300020169746	1	36	-1.0	-49.34	324.75	4.47	-44.87
CSCC[C@H](NC(=O)C1=CC(F)=C(Br)C(F)=C1)C1=N[N-]N=N1	REAL300020169747	0	33	-1.0	-40.73	330.21	4.80	-35.93
CSCC[C@H](NC(=O)C1=CC(F)=C(Br)C(F)=C1)C1=NN=N[N-]1	REAL300020169747	1	33	-1.0	-40.68	330.26	4.81	-35.87
CSCC[C@H](NC(=O)[C@@H]1C[C@H]1C1=CC=NC=C1Cl)C1=N[N-]N=N1	REAL300020169748	0	39	-1.0	-47.36	359.63	4.75	-42.61
CSCC[C@H](NC(=O)[C@@H]1C[C@H]1C1=CC=NC=C1Cl)C1=NN=N[N-]1	REAL300020169748	1	39	-1.0	-47.41	359.69	4.76	-42.65
C#CC1=CC=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020169749	0	35	-1.0	-49.10	324.79	5.28	-43.82
C#CC1=CC=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020169749	1	35	-1.0	-49.13	324.84	5.30	-43.83
CSCC[C@H](NC(=O)C1=NC=C(F)C2=CC=CC=C21)C1=NN=N[N-]1	REAL300020169750	0	38	-1.0	-44.43	341.46	4.69	-39.74
CSCC[C@H](NC(=O)C1=NC=C(F)C2=CC=CC=C21)C1=N[N-]N=N1	REAL300020169750	1	38	-1.0	-44.45	341.40	4.67	-39.78
COC(=O)C1=CC=C(C=CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=N1	REAL300020169751	0	42	-1.0	-48.14	382.67	4.12	-44.02
COC(=O)C1=CC=C(C=CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=N1	REAL300020169751	1	42	-1.0	-48.14	382.73	4.14	-44.00
CSCC[C@H](NC(=O)C1=CC(C)=C(C)NC1=O)C1=N[N-]N=N1	REAL300020169752	0	39	-1.0	-57.60	339.12	2.44	-55.16
CSCC[C@H](NC(=O)C1=CC(C)=C(C)NC1=O)C1=NN=N[N-]1	REAL300020169752	1	39	-1.0	-57.61	339.18	2.46	-55.15
CCN1N=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1C	REAL300020169753	0	39	-1.0	-50.55	345.12	3.25	-47.30
CCN1N=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1C	REAL300020169753	1	39	-1.0	-50.53	345.18	3.26	-47.27
CSCC[C@H](NC(=O)CC1=CC=C(C(F)(F)F)C=C1C)C1=N[N-]N=N1	REAL300020169754	0	42	-1.0	-46.16	377.66	6.24	-39.92
CSCC[C@H](NC(=O)CC1=CC=C(C(F)(F)F)C=C1C)C1=NN=N[N-]1	REAL300020169754	1	42	-1.0	-46.14	377.72	6.25	-39.89
CSCC[C@H](NC(=O)CC(C)C1=CC=C(F)C(F)=C1)C1=N[N-]N=N1	REAL300020169755	0	42	-1.0	-44.24	369.70	6.12	-38.12
CSCC[C@H](NC(=O)CC(C)C1=CC=C(F)C(F)=C1)C1=NN=N[N-]1	REAL300020169755	1	42	-1.0	-44.24	369.76	6.14	-38.10
CCCN1C=CC=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020169756	0	40	-1.0	-48.03	345.31	5.17	-42.86
CCCN1C=CC=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020169756	1	40	-1.0	-47.98	345.37	5.18	-42.80
CSCC[C@H](NC(=O)CC1=CN(C(C)(C)C)N=C1)C1=NN=N[N-]1	REAL300020169757	0	45	-1.0	-51.58	384.98	4.58	-47.00
CSCC[C@H](NC(=O)CC1=CN(C(C)(C)C)N=C1)C1=N[N-]N=N1	REAL300020169757	1	45	-1.0	-51.63	384.92	4.57	-47.06
CSCC[C@H](NC(=O)C1=CC(C2=NNC=C2)=CC=C1F)C1=N[N-]N=N1	REAL300020169758	0	40	-1.0	-54.66	360.89	4.21	-50.45
CSCC[C@H](NC(=O)C1=CC(C2=NNC=C2)=CC=C1F)C1=NN=N[N-]1	REAL300020169758	1	40	-1.0	-54.67	360.95	4.23	-50.44
CSCC[C@H](NC(=O)C1(C2=CC=C(C)C=C2F)CC1)C1=N[N-]N=N1	REAL300020169759	0	43	-1.0	-54.21	376.79	6.69	-47.52
CSCC[C@H](NC(=O)C1(C2=CC=C(C)C=C2F)CC1)C1=NN=N[N-]1	REAL300020169759	1	43	-1.0	-54.18	376.84	6.70	-47.48
CSCC[C@H](NC(=O)C1=CC(Cl)=C(F)C=C1[O-])C1=N[N-]N=N1	REAL300020169760	0	33	-2.0	-100.70	325.35	4.19	-96.51
CSCC[C@H](NC(=O)C1=CC(Cl)=C(F)C=C1[O-])C1=NN=N[N-]1	REAL300020169760	1	33	-2.0	-100.72	325.41	4.21	-96.51
CCCC1=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)N=NN1CC	REAL300020169761	0	44	-1.0	-46.98	375.01	3.13	-43.85
CCCC1=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)N=NN1CC	REAL300020169761	1	44	-1.0	-47.03	375.07	3.15	-43.88
CCC1=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)SC(C2=NNC=N2)=N1	REAL300020169762	0	41	-1.0	-50.82	379.88	3.43	-47.39
CCC1=C(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)SC(C2=NNC=N2)=N1	REAL300020169762	1	41	-1.0	-50.82	379.93	3.44	-47.38
CSCC[C@H](NC(=O)C1=C2N=CNC2=CC(Br)=C1)C1=N[N-]N=N1	REAL300020169763	0	36	-1.0	-55.36	343.98	4.52	-50.84
CSCC[C@H](NC(=O)C1=C2N=CNC2=CC(Br)=C1)C1=NN=N[N-]1	REAL300020169763	1	36	-1.0	-55.39	344.04	4.53	-50.86
CSCC[C@H](NC(=O)C1=CC=C2NC(C3CC3)=NC2=C1)C1=N[N-]N=N1	REAL300020169764	0	43	-1.0	-53.84	375.15	5.13	-48.71
CSCC[C@H](NC(=O)C1=CC=C2NC(C3CC3)=NC2=C1)C1=NN=N[N-]1	REAL300020169764	1	43	-1.0	-53.84	375.21	5.15	-48.69
CSCC[C@H](NC(=O)CNC(=O)N(C)CC1=CC=CO1)C1=N[N-]N=N1	REAL300020169765	0	45	-1.0	-48.47	395.45	2.50	-45.97
CSCC[C@H](NC(=O)CNC(=O)N(C)CC1=CC=CO1)C1=NN=N[N-]1	REAL300020169765	1	45	-1.0	-48.50	395.51	2.51	-45.99
CSCC[C@H](NC(=O)C1CCC2=C(C1)C(C)=NN2)C1=N[N-]N=N1	REAL300020169766	0	43	-1.0	-47.15	361.74	3.41	-43.74
CSCC[C@H](NC(=O)C1CCC2=C(C1)C(C)=NN2)C1=NN=N[N-]1	REAL300020169766	1	43	-1.0	-48.07	362.26	3.43	-44.64
CSCC[C@H](NC(=O)C1CCC2=NNC(C)=C2C1)C1=N[N-]N=N1	REAL300020169766	1	43	-1.0	-47.15	361.74	3.41	-43.74
CSCC[C@H](NC(=O)CC1=CC=C2NC(=O)CCC2=C1)C1=N[N-]N=N1	REAL300020169767	0	44	-1.0	-49.96	381.99	3.95	-46.01
CSCC[C@H](NC(=O)CC1=CC=C2NC(=O)CCC2=C1)C1=NN=N[N-]1	REAL300020169767	1	44	-1.0	-49.94	382.05	3.96	-45.98
CSCC[C@H](NC(=O)C1=CC=C([N+](=O)[O-])C(SC)=C1)C1=N[N-]N=N1	REAL300020169768	0	39	-1.0	-44.00	361.27	5.63	-38.37
CSCC[C@H](NC(=O)C1=CC=C([N+](=O)[O-])C(SC)=C1)C1=NN=N[N-]1	REAL300020169768	1	39	-1.0	-44.00	361.33	5.65	-38.35
CSCC[C@H](NC(=O)C(C)(C)OC1=C(F)C=CC=C1F)C1=N[N-]N=N1	REAL300020169769	0	43	-1.0	-54.47	373.18	5.86	-48.61
CSCC[C@H](NC(=O)C(C)(C)OC1=C(F)C=CC=C1F)C1=NN=N[N-]1	REAL300020169769	1	43	-1.0	-54.42	373.24	5.88	-48.54
C=C1CCC1(C(=O)N[C@@H](CCSC)C1=N[N-]N=N1)C(=O)OC	REAL300020169770	0	40	-1.0	-43.25	352.38	4.29	-38.96
C=C1CCC1(C(=O)N[C@@H](CCSC)C1=NN=N[N-]1)C(=O)OC	REAL300020169770	1	40	-1.0	-43.24	352.44	4.31	-38.93
CSCC[C@H](NC(=O)C1=CC(S(N)(=O)=O)=CO1)C1=N[N-]N=N1	REAL300020169771	0	35	-1.0	-52.50	338.20	-3.01	-55.51
CSCC[C@H](NC(=O)C1=CC(S(N)(=O)=O)=CO1)C1=NN=N[N-]1	REAL300020169771	1	35	-1.0	-52.50	338.26	-3.00	-55.50
CSCC[C@H](NC(=O)C1=C2C=C(C#N)C=CN2N=C1)C1=NN=N[N-]1	REAL300020169772	0	37	-1.0	-51.74	346.03	4.24	-47.50
CSCC[C@H](NC(=O)C1=C2C=C(C#N)C=CN2N=C1)C1=N[N-]N=N1	REAL300020169772	1	37	-1.0	-51.71	345.97	4.23	-47.48
CSCC[C@H](NC(=O)C1CCC2=NC(C(F)(F)F)=CN2C1)C1=N[N-]N=N1	REAL300020169773	0	43	-1.0	-47.09	383.42	5.18	-41.91
CSCC[C@H](NC(=O)C1CCC2=NC(C(F)(F)F)=CN2C1)C1=NN=N[N-]1	REAL300020169773	1	43	-1.0	-47.05	383.48	5.19	-41.86
CSCC[C@H](NC(=O)[C@H](C)ONC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300020169774	0	47	-1.0	-55.36	401.60	2.97	-52.39
CSCC[C@H](NC(=O)[C@H](C)ONC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300020169774	1	47	-1.0	-55.35	401.66	2.99	-52.36
CSCC[C@H](NC(=O)C(O)C1=CC=C(F)C(Cl)=C1F)C1=N[N-]N=N1	REAL300020169775	0	37	-1.0	-42.41	352.76	3.53	-38.88
CSCC[C@H](NC(=O)C(O)C1=CC=C(F)C(Cl)=C1F)C1=NN=N[N-]1	REAL300020169775	1	37	-1.0	-42.38	352.82	3.54	-38.84
CSCC[C@H](NC(=O)C1=CN2N=NC=C2C=C1)C1=NN=N[N-]1	REAL300020169776	0	35	-1.0	-49.53	319.39	2.61	-46.92
CSCC[C@H](NC(=O)C1=CN2N=NC=C2C=C1)C1=N[N-]N=N1	REAL300020169776	1	35	-1.0	-49.51	319.34	2.59	-46.92
CSCC[C@H](NC(=O)C1=C2C[C@@H](C)O[C@@H](C)C2=NN1)C1=N[N-]N=N1	REAL300020169777	0	44	-1.0	-44.61	374.23	2.10	-42.51
CSCC[C@H](NC(=O)C1=C2C[C@@H](C)O[C@@H](C)C2=NN1)C1=NN=N[N-]1	REAL300020169777	1	44	-1.0	-44.64	374.28	2.11	-42.53
CSCC[C@H](NC(=O)C1=CN(CCO)N=N1)C1=NN=N[N-]1	REAL300020169778	0	36	-1.0	-46.36	331.65	-2.08	-48.44
CSCC[C@H](NC(=O)C1=CN(CCO)N=N1)C1=N[N-]N=N1	REAL300020169778	1	36	-1.0	-46.33	331.59	-2.10	-48.43
CSCC[C@H](NC(=O)CCC1=C(Br)C=CS1)C1=N[N-]N=N1	REAL300020169779	0	36	-1.0	-44.01	353.24	5.20	-38.81
CSCC[C@H](NC(=O)CCC1=C(Br)C=CS1)C1=NN=N[N-]1	REAL300020169779	1	36	-1.0	-44.02	353.30	5.21	-38.81
CSCC[C@H](NC(=O)CCNC1=CN=CN=C1)C1=NN=N[N-]1	REAL300020169780	0	39	-1.0	-48.06	347.13	1.75	-46.31
CSCC[C@H](NC(=O)CCNC1=CN=CN=C1)C1=N[N-]N=N1	REAL300020169780	1	39	-1.0	-48.09	347.07	1.74	-46.35
CSCC[C@H](NC(=O)[C@H]1CCC[C@@H](C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300020169781	0	54	-1.0	-51.73	432.89	6.99	-44.74
CSCC[C@H](NC(=O)[C@H]1CCC[C@@H](C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300020169781	1	54	-1.0	-51.71	432.95	7.01	-44.70
CSCC[C@H](NC(=O)C1=NC(Cl)=CC=C1OC(C)C)C1=NN=N[N-]1	REAL300020169782	0	42	-1.0	-50.83	379.02	4.89	-45.94
CSCC[C@H](NC(=O)C1=NC(Cl)=CC=C1OC(C)C)C1=N[N-]N=N1	REAL300020169782	1	42	-1.0	-50.85	378.97	4.87	-45.98
C=CCOC1=CC=C(Cl)N=C1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020169783	0	40	-1.0	-50.66	373.93	4.86	-45.80
C=CCOC1=CC=C(Cl)N=C1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020169783	1	40	-1.0	-50.66	373.87	4.85	-45.81
CSCC[C@H](NC(=O)CC1CC2(CCC2)C1)C1=N[N-]N=N1	REAL300020169784	0	43	-1.0	-46.07	358.92	5.69	-40.38
CSCC[C@H](NC(=O)CC1CC2(CCC2)C1)C1=NN=N[N-]1	REAL300020169784	1	43	-1.0	-46.09	358.98	5.70	-40.39
CSCC[C@H](NC(=O)C1CCCC(F)(F)CC1)C1=N[N-]N=N1	REAL300020169785	0	42	-1.0	-46.20	346.95	4.99	-41.21
CSCC[C@H](NC(=O)C1CCCC(F)(F)CC1)C1=NN=N[N-]1	REAL300020169785	1	42	-1.0	-46.21	347.01	5.00	-41.21
CSCC[C@H](NC(=O)C[C@@H](O)C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020169786	0	40	-1.0	-48.27	350.44	3.27	-45.00
CSCC[C@H](NC(=O)C[C@@H](O)C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020169786	1	40	-1.0	-48.27	350.50	3.28	-44.99
CSCC[C@H](NC(=O)C1=NOC(CF)=C1)C1=N[N-]N=N1	REAL300020169787	0	32	-1.0	-46.46	304.76	2.32	-44.14
CSCC[C@H](NC(=O)C1=NOC(CF)=C1)C1=NN=N[N-]1	REAL300020169787	1	32	-1.0	-46.50	304.81	2.33	-44.17
CSCC[C@H](NC(=O)C1CC(C2=CC=CC=C2F)=NO1)C1=N[N-]N=N1	REAL300020169788	0	41	-1.0	-61.38	369.91	5.60	-55.78
CSCC[C@H](NC(=O)C1CC(C2=CC=CC=C2F)=NO1)C1=NN=N[N-]1	REAL300020169788	1	41	-1.0	-61.37	369.96	5.62	-55.75
CSCC[C@H](NC(=O)C1=CC=C(C2CC2(F)F)C=C1)C1=N[N-]N=N1	REAL300020169789	0	40	-1.0	-47.59	358.99	6.31	-41.28
CSCC[C@H](NC(=O)C1=CC=C(C2CC2(F)F)C=C1)C1=NN=N[N-]1	REAL300020169789	1	40	-1.0	-47.67	359.05	6.33	-41.34
CSCC[C@H](NC(=O)CCCCCC(=O)NC1=CC=CC=C1)C1=N[N-]N=N1	REAL300020169790	0	52	-1.0	-56.55	441.83	6.16	-50.39
CSCC[C@H](NC(=O)CCCCCC(=O)NC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020169790	1	52	-1.0	-56.55	441.88	6.18	-50.37
CSCC[C@H](NC(=O)C1CCC2=CC=NN2C1)C1=N[N-]N=N1	REAL300020169791	0	40	-1.0	-47.88	342.94	3.34	-44.54
CSCC[C@H](NC(=O)C1CCC2=CC=NN2C1)C1=NN=N[N-]1	REAL300020169791	1	40	-1.0	-47.85	343.00	3.36	-44.49
CSCC[C@H](NC(=O)C1=C2C=NSC2=CC=C1)C1=NN=N[N-]1	REAL300020169792	0	35	-1.0	-48.70	325.23	4.15	-44.55
CSCC[C@H](NC(=O)C1=C2C=NSC2=CC=C1)C1=N[N-]N=N1	REAL300020169792	1	35	-1.0	-48.72	325.17	4.13	-44.59
CSCC[C@H](NC(=O)C1=CC=CC2=NON=C21)C1=NN=N[N-]1	REAL300020169793	0	34	-1.0	-55.42	313.85	2.95	-52.47
CSCC[C@H](NC(=O)C1=CC=CC2=NON=C21)C1=N[N-]N=N1	REAL300020169793	1	34	-1.0	-55.40	313.80	2.94	-52.46
CSCC[C@H](NC(=O)COC1=CN(C)N=C1)C1=NN=N[N-]1	REAL300020169794	0	37	-1.0	-50.68	335.93	2.45	-48.23
CSCC[C@H](NC(=O)COC1=CN(C)N=C1)C1=N[N-]N=N1	REAL300020169794	1	37	-1.0	-50.70	335.87	2.43	-48.27
CSCC[C@H](NC(=O)C1=CC=C(S(C)(=O)=O)C=C1Cl)C1=N[N-]N=N1	REAL300020169795	0	39	-1.0	-52.25	370.70	2.13	-50.12
CSCC[C@H](NC(=O)C1=CC=C(S(C)(=O)=O)C=C1Cl)C1=NN=N[N-]1	REAL300020169795	1	39	-1.0	-52.30	370.76	2.15	-50.15
CSCC[C@H](NC(=O)C1(C)CC(C2CC2)=NO1)C1=N[N-]N=N1	REAL300020169796	0	41	-1.0	-43.66	358.06	3.64	-40.02
CSCC[C@H](NC(=O)C1(C)CC(C2CC2)=NO1)C1=NN=N[N-]1	REAL300020169796	1	41	-1.0	-43.68	358.12	3.65	-40.03
CSCC[C@H](NC(=O)C1=NOC(CNC(=O)OC(C)(C)C)=C1)C1=N[N-]N=N1	REAL300020169797	0	49	-1.0	-45.62	424.67	1.97	-43.65
CSCC[C@H](NC(=O)C1=NOC(CNC(=O)OC(C)(C)C)=C1)C1=NN=N[N-]1	REAL300020169797	1	49	-1.0	-45.62	424.73	1.99	-43.63
CSCC[C@H](NC(=O)C1=NC(C2CC2)=NC=C1Cl)C1=N[N-]N=N1	REAL300020169798	0	38	-1.0	-43.54	354.88	4.33	-39.21
CSCC[C@H](NC(=O)C1=NC(C2CC2)=NC=C1Cl)C1=NN=N[N-]1	REAL300020169798	1	38	-1.0	-43.53	354.93	4.35	-39.18
CSCC[C@H](NC(=O)C1(C2=CC=CC=C2)CC1(F)F)C1=N[N-]N=N1	REAL300020169799	0	40	-1.0	-48.16	359.41	5.92	-42.24
CSCC[C@H](NC(=O)C1(C2=CC=CC=C2)CC1(F)F)C1=NN=N[N-]1	REAL300020169799	1	40	-1.0	-48.15	359.46	5.94	-42.21
CSCC[C@H](NC(=O)C1=CC2=CC=C(N(C)C)C=C2C=C1)C1=N[N-]N=N1	REAL300020169800	0	47	-1.0	-48.94	394.54	6.73	-42.21
CSCC[C@H](NC(=O)C1=CC2=CC=C(N(C)C)C=C2C=C1)C1=NN=N[N-]1	REAL300020169800	1	47	-1.0	-48.93	394.60	6.75	-42.18
CSCC[C@H](NC(=O)C1(CC2=NNN=C2)CCCC1)C1=N[N-]N=N1	REAL300020169801	0	45	-1.0	-49.08	361.98	2.95	-46.13
CSCC[C@H](NC(=O)C1(CC2=NNN=C2)CCCC1)C1=NN=N[N-]1	REAL300020169801	1	45	-1.0	-49.10	362.04	2.97	-46.13
CSCC[C@H](NC(=O)C1=CN(C(C)(C)C)N=C1C(C)(C)C)C1=NN=N[N-]1	REAL300020169802	0	54	-1.0	-46.70	431.44	6.22	-40.48
CSCC[C@H](NC(=O)C1=CN(C(C)(C)C)N=C1C(C)(C)C)C1=N[N-]N=N1	REAL300020169802	1	54	-1.0	-46.70	431.39	6.21	-40.49
C#CC1=CC=C(C2CC2C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020169803	0	42	-1.0	-51.39	369.33	7.23	-44.16
C#CC1=CC=C(C2CC2C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020169803	1	42	-1.0	-51.39	369.39	7.25	-44.14
CSCC[C@H](NC(=O)C1=C(C)N=CC2=CC=CC=C21)C1=NN=N[N-]1	REAL300020169804	0	41	-1.0	-50.85	361.41	4.89	-45.96
CSCC[C@H](NC(=O)C1=C(C)N=CC2=CC=CC=C21)C1=N[N-]N=N1	REAL300020169804	1	41	-1.0	-50.84	361.35	4.87	-45.97
CSCC[C@H](NC(=O)C1(C2CCC2)CC1(F)F)C1=N[N-]N=N1	REAL300020169805	0	40	-1.0	-49.00	337.81	5.40	-43.60
CSCC[C@H](NC(=O)C1(C2CCC2)CC1(F)F)C1=NN=N[N-]1	REAL300020169805	1	40	-1.0	-48.97	337.87	5.41	-43.56
CSCC[C@H](NC(=O)C1=C2C=NN(C)C2=NC(C2CC2)=C1)C1=N[N-]N=N1	REAL300020169806	0	45	-1.0	-46.41	389.21	5.18	-41.23
CSCC[C@H](NC(=O)C1=C2C=NN(C)C2=NC(C2CC2)=C1)C1=NN=N[N-]1	REAL300020169806	1	45	-1.0	-46.41	389.27	5.20	-41.21
CSCC[C@H](NC(=O)C12CCC(C(F)(F)F)(CC1)C2)C1=N[N-]N=N1	REAL300020169807	0	43	-1.0	-46.27	370.50	5.46	-40.81
CSCC[C@H](NC(=O)C12CCC(C(F)(F)F)(CC1)C2)C1=NN=N[N-]1	REAL300020169807	1	43	-1.0	-46.28	370.56	5.47	-40.81
CSCC[C@H](NC(=O)[C@H]1CC[C@H]1CNC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300020169808	0	53	-1.0	-59.67	432.98	3.23	-56.44
CSCC[C@H](NC(=O)[C@H]1CC[C@H]1CNC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300020169808	1	53	-1.0	-59.72	433.04	3.25	-56.47
CSCC[C@H](NC(=O)[C@@H]1CCC[C@H]1C(C)C)C1=N[N-]N=N1	REAL300020169809	0	45	-1.0	-46.48	359.74	5.33	-41.15
CSCC[C@H](NC(=O)[C@@H]1CCC[C@H]1C(C)C)C1=NN=N[N-]1	REAL300020169809	1	45	-1.0	-46.49	359.80	5.34	-41.15
CSCC[C@H](NC(=O)C=CC1=CC=NC=C1)C1=N[N-]N=N1	REAL300020169810	0	36	-1.0	-46.40	327.12	3.53	-42.87
CSCC[C@H](NC(=O)C=CC1=CC=NC=C1)C1=NN=N[N-]1	REAL300020169810	1	36	-1.0	-46.40	327.17	3.54	-42.86
COC1=CC=C(C=CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C(OC)=C1OC	REAL300020169811	0	49	-1.0	-51.07	426.00	4.58	-46.49
COC1=CC=C(C=CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C(OC)=C1OC	REAL300020169811	1	49	-1.0	-51.09	426.06	4.59	-46.50
CSCC[C@H](NC(=O)C1COC=CN1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300020169812	0	49	-1.0	-48.72	405.70	3.94	-44.78
CSCC[C@H](NC(=O)C1COC=CN1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300020169812	1	49	-1.0	-48.71	405.76	3.95	-44.76
CSCC[C@H](NC(=O)C1=C2C(=O)NCCN2N=C1)C1=NN=N[N-]1	REAL300020169813	0	38	-1.0	-59.92	336.61	0.84	-59.08
CSCC[C@H](NC(=O)C1=C2C(=O)NCCN2N=C1)C1=N[N-]N=N1	REAL300020169813	1	38	-1.0	-59.95	336.55	0.82	-59.13
CC=CC1=CC=C(OCC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C(OC)=C1	REAL300020169814	0	48	-1.0	-53.44	413.08	6.38	-47.06
CC=CC1=CC=C(OCC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C(OC)=C1	REAL300020169814	1	48	-1.0	-53.42	413.14	6.40	-47.02
CSCC[C@H](NC(=O)C1CC(=O)CC12CCC2)C1=N[N-]N=N1	REAL300020169815	0	42	-1.0	-55.19	351.19	4.53	-50.66
CSCC[C@H](NC(=O)C1CC(=O)CC12CCC2)C1=NN=N[N-]1	REAL300020169815	1	42	-1.0	-55.21	351.25	4.54	-50.67
CSCC[C@H](NC(=O)C1=CN=C2NC=C(C)C2=C1)C1=N[N-]N=N1	REAL300020169816	0	39	-1.0	-49.18	345.81	4.04	-45.14
CSCC[C@H](NC(=O)C1=CN=C2NC=C(C)C2=C1)C1=NN=N[N-]1	REAL300020169816	1	39	-1.0	-49.20	345.87	4.05	-45.15
CSCC[C@H](NC(=O)C1=CC2=C(CCOC2)N=C1Cl)C1=N[N-]N=N1	REAL300020169817	0	40	-1.0	-47.80	359.21	2.81	-44.99
CSCC[C@H](NC(=O)C1=CC2=C(CCOC2)N=C1Cl)C1=NN=N[N-]1	REAL300020169817	1	40	-1.0	-47.84	359.26	2.82	-45.02
CSCC[C@H](NC(=O)C1CCC(OC2=CC=CC=C2)CC1)C1=N[N-]N=N1	REAL300020169818	0	50	-1.0	-55.53	403.11	6.58	-48.95
CSCC[C@H](NC(=O)C1CCC(OC2=CC=CC=C2)CC1)C1=NN=N[N-]1	REAL300020169818	1	50	-1.0	-55.52	403.16	6.60	-48.92
CSCC[C@H](NC(=O)C1=CC=C(CC2=NN=C(C)O2)C=C1)C1=N[N-]N=N1	REAL300020169819	0	44	-1.0	-53.07	392.43	1.46	-51.61
CSCC[C@H](NC(=O)C1=CC=C(CC2=NN=C(C)O2)C=C1)C1=NN=N[N-]1	REAL300020169819	1	44	-1.0	-53.08	392.49	1.48	-51.60
CSCC[C@H](NC(=O)C1CC2=CC=CN=C2C1)C1=N[N-]N=N1	REAL300020169820	0	39	-1.0	-48.54	339.29	4.04	-44.50
CSCC[C@H](NC(=O)C1CC2=CC=CN=C2C1)C1=NN=N[N-]1	REAL300020169820	1	39	-1.0	-48.55	339.35	4.06	-44.49
CSCC[C@H](NC(=O)C1CC(C2CC2)=NO1)C1=N[N-]N=N1	REAL300020169821	0	38	-1.0	-53.83	338.80	4.02	-49.81
CSCC[C@H](NC(=O)C1CC(C2CC2)=NO1)C1=NN=N[N-]1	REAL300020169821	1	38	-1.0	-53.82	338.85	4.04	-49.78
CSCC[C@H](NC(=O)C1=CN2C(=NN=C2C2=CC=CC=C2)C=C1)C1=N[N-]N=N1	REAL300020169822	0	45	-1.0	-47.72	393.79	7.86	-39.86
CSCC[C@H](NC(=O)C1=CN2C(=NN=C2C2=CC=CC=C2)C=C1)C1=NN=N[N-]1	REAL300020169822	1	45	-1.0	-47.71	393.85	7.88	-39.83
CSCC[C@H](NC(=O)C1=CC2=CC(C)=CC(F)=C2N=C1)C1=NN=N[N-]1	REAL300020169823	0	41	-1.0	-46.67	366.48	5.22	-41.45
CSCC[C@H](NC(=O)C1=CC2=CC(C)=CC(F)=C2N=C1)C1=N[N-]N=N1	REAL300020169823	1	41	-1.0	-46.66	366.43	5.21	-41.45
CSCC[C@H](NC(=O)C1=COC(C2=CN(C)N=C2)=N1)C1=NN=N[N-]1	REAL300020169824	0	39	-1.0	-49.35	361.46	0.25	-49.10
CSCC[C@H](NC(=O)C1=COC(C2=CN(C)N=C2)=N1)C1=N[N-]N=N1	REAL300020169824	1	39	-1.0	-49.37	361.40	0.24	-49.13
COC1=C2C=C(C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)NC2=C(C)C=C1	REAL300020169825	0	44	-1.0	-48.81	382.01	3.98	-44.83
COC1=C2C=C(C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)NC2=C(C)C=C1	REAL300020169825	1	44	-1.0	-48.82	382.06	3.99	-44.83
CCCCOC1=CC=C(CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1	REAL300020169826	0	49	-1.0	-48.01	416.51	6.57	-41.44
CCCCOC1=CC=C(CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1	REAL300020169826	1	49	-1.0	-48.05	416.57	6.58	-41.47
COC1=NC2=CC=C(C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)C=C2C=C1	REAL300020169827	0	42	-1.0	-46.60	370.81	2.99	-43.61
COC1=NC2=CC=C(C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)C=C2C=C1	REAL300020169827	1	42	-1.0	-46.54	370.76	2.97	-43.57
CSCC[C@H](NC(=O)C1=CN=C2SC(C)=CN12)C1=N[N-]N=N1	REAL300020169828	0	36	-1.0	-47.68	334.42	4.50	-43.18
CSCC[C@H](NC(=O)C1=NOC(COC2=CC=C(F)C=C2)=C1)C1=N[N-]N=N1	REAL300020169829	0	43	-1.0	-47.52	394.46	4.85	-42.67
CSCC[C@H](NC(=O)C1=NOC(COC2=CC=C(F)C=C2)=C1)C1=NN=N[N-]1	REAL300020169829	1	43	-1.0	-47.50	394.51	4.87	-42.63
CSCC[C@H](NC(=O)C1=CC(Cl)=C(Cl)S1)C1=N[N-]N=N1	REAL300020169830	0	30	-1.0	-41.36	322.70	4.20	-37.16
CSCC[C@H](NC(=O)C1=CC(Cl)=C(Cl)S1)C1=NN=N[N-]1	REAL300020169830	1	30	-1.0	-41.36	322.76	4.21	-37.15
CSCC[C@H](NC(=O)C1=CC(C(C)(C)C)=CC=N1)C1=NN=N[N-]1	REAL300020169831	0	44	-1.0	-47.61	371.61	4.71	-42.90
CSCC[C@H](NC(=O)C1=CC(C(C)(C)C)=CC=N1)C1=N[N-]N=N1	REAL300020169831	1	44	-1.0	-47.55	371.55	4.70	-42.85
COC1CC2(C1)CCC(C(=O)N[C@@H](CCSC)C1=N[N-]N=N1)CC2	REAL300020169832	0	50	-1.0	-47.95	400.59	4.95	-43.00
COC1CC2(C1)CCC(C(=O)N[C@@H](CCSC)C1=NN=N[N-]1)CC2	REAL300020169832	1	50	-1.0	-47.91	400.65	4.96	-42.95
CCCC(CCC1=CC=CC=C1)C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020169833	0	51	-1.0	-47.34	418.54	8.14	-39.20
CCCC(CCC1=CC=CC=C1)C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020169833	1	51	-1.0	-47.36	418.59	8.15	-39.21
CCC(C)(C)C1CCC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)CC1	REAL300020169834	0	54	-1.0	-46.12	406.33	6.81	-39.31
CCC(C)(C)C1CCC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)CC1	REAL300020169834	1	54	-1.0	-46.15	406.39	6.82	-39.33
CSCC[C@H](NC(=O)C1=CC2=CC(C)=CC=C2N=C1)C1=NN=N[N-]1	REAL300020169835	0	41	-1.0	-46.48	360.26	5.14	-41.34
CSCC[C@H](NC(=O)C1=CC2=CC(C)=CC=C2N=C1)C1=N[N-]N=N1	REAL300020169835	1	41	-1.0	-46.51	360.20	5.12	-41.39
CSCC[C@H](NC(=O)C1=NOC(C2=CN(C)N=N2)=C1)C1=N[N-]N=N1	REAL300020169836	0	38	-1.0	-51.62	355.09	1.70	-49.92
CSCC[C@H](NC(=O)C1=NOC(C2=CN(C)N=N2)=C1)C1=NN=N[N-]1	REAL300020169836	1	38	-1.0	-51.59	355.15	1.72	-49.87
CSCC[C@H](NC(=O)C1COC2COCC21)C1=N[N-]N=N1	REAL300020169837	0	39	-1.0	-44.40	329.98	0.42	-43.98
CSCC[C@H](NC(=O)C1COC2COCC21)C1=NN=N[N-]1	REAL300020169837	1	39	-1.0	-44.43	330.04	0.43	-44.00
CSCC[C@H](NC(=O)C1CCC2(CC(=O)C2)CC1)C1=N[N-]N=N1	REAL300020169838	0	45	-1.0	-47.54	370.66	5.11	-42.43
CSCC[C@H](NC(=O)C1CCC2(CC(=O)C2)CC1)C1=NN=N[N-]1	REAL300020169838	1	45	-1.0	-47.49	370.72	5.12	-42.37
CSCC[C@H](NC(=O)C1=CC=C2OCCC(=O)C2=C1)C1=N[N-]N=N1	REAL300020169839	0	40	-1.0	-53.66	353.49	3.84	-49.82
CSCC[C@H](NC(=O)C1=CC=C2OCCC(=O)C2=C1)C1=NN=N[N-]1	REAL300020169839	1	40	-1.0	-53.64	353.55	3.86	-49.78
CCC(CCC1=CC=CC=C1)C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020169840	0	48	-1.0	-48.48	397.97	7.35	-41.13
CCC(CCC1=CC=CC=C1)C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020169840	1	48	-1.0	-48.53	398.03	7.37	-41.16
COC1(C(F)(F)C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)CCCC1	REAL300020169841	0	43	-1.0	-42.56	357.63	4.50	-38.06
COC1(C(F)(F)C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)CCCC1	REAL300020169841	1	43	-1.0	-42.57	357.69	4.51	-38.06
CSCC[C@H](NC(=O)CCC1=CC=C2CCOCC2=C1)C1=N[N-]N=N1	REAL300020169842	0	47	-1.0	-46.57	397.27	5.65	-40.92
CSCC[C@H](NC(=O)CCC1=CC=C2CCOCC2=C1)C1=NN=N[N-]1	REAL300020169842	1	47	-1.0	-46.62	397.33	5.67	-40.95
CSCC[C@H](NC(=O)C1CC12CCC(F)(F)CC2)C1=N[N-]N=N1	REAL300020169843	0	43	-1.0	-49.18	363.80	5.72	-43.46
CSCC[C@H](NC(=O)C1CC12CCC(F)(F)CC2)C1=NN=N[N-]1	REAL300020169843	1	43	-1.0	-49.25	363.85	5.73	-43.52
CSCC[C@H](NC(=O)C1=CC=C(C)C(Br)=N1)C1=NN=N[N-]1	REAL300020169844	0	35	-1.0	-45.83	334.50	3.44	-42.39
CSCC[C@H](NC(=O)C1=CC=C(C)C(Br)=N1)C1=N[N-]N=N1	REAL300020169844	1	35	-1.0	-45.85	334.44	3.42	-42.43
CSCC[C@H](NC(=O)C1=CC=C([N+](=O)[O-])C(N(C)C)=C1)C1=N[N-]N=N1	REAL300020169845	0	43	-1.0	-44.36	377.93	5.36	-39.00
CSCC[C@H](NC(=O)C1=CC=C([N+](=O)[O-])C(N(C)C)=C1)C1=NN=N[N-]1	REAL300020169845	1	43	-1.0	-44.37	377.99	5.37	-39.00
CSCC[C@H](NC(=O)C1=CC(Cl)=NC2=NC=CC=C12)C1=NN=N[N-]1	REAL300020169846	0	37	-1.0	-44.76	345.62	3.96	-40.80
CSCC[C@H](NC(=O)C1=CC(Cl)=NC2=NC=CC=C12)C1=N[N-]N=N1	REAL300020169846	1	37	-1.0	-44.75	345.56	3.94	-40.81
COC(=O)C1=CSC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020169847	0	36	-1.0	-50.29	345.59	3.74	-46.55
COC(=O)C1=CSC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020169847	1	36	-1.0	-50.29	345.65	3.76	-46.53
CSCC[C@H](NC(=O)C1=CN=CC(C(C)(C)C)=C1)C1=NN=N[N-]1	REAL300020169848	0	44	-1.0	-45.12	369.08	4.61	-40.51
CSCC[C@H](NC(=O)C1=CN=CC(C(C)(C)C)=C1)C1=N[N-]N=N1	REAL300020169848	1	44	-1.0	-45.15	369.03	4.59	-40.56
CSCC[C@H](NC(=O)C1=CC=C(OC2=CC=C(F)C=C2)S1)C1=N[N-]N=N1	REAL300020169849	0	41	-1.0	-45.05	387.45	6.23	-38.82
CSCC[C@H](NC(=O)C1=CC=C(OC2=CC=C(F)C=C2)S1)C1=NN=N[N-]1	REAL300020169849	1	41	-1.0	-45.05	387.51	6.24	-38.81
CSCC[C@H](NC(=O)C1=C(C2=CC=C(C#N)C=C2)OC=N1)C1=NN=N[N-]1	REAL300020169850	0	40	-1.0	-47.67	373.75	2.90	-44.77
CSCC[C@H](NC(=O)C1=C(C2=CC=C(C#N)C=C2)OC=N1)C1=N[N-]N=N1	REAL300020169850	1	40	-1.0	-47.67	373.69	2.88	-44.79
COC1CC(CC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C1(C)C	REAL300020169851	0	46	-1.0	-44.76	379.35	3.91	-40.85
COC1CC(CC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C1(C)C	REAL300020169851	1	46	-1.0	-44.73	379.40	3.93	-40.80
CSCC[C@H](NC(=O)C1(C)CC2=CC(Cl)=CC=C2C(=O)O1)C1=N[N-]N=N1	REAL300020169852	0	43	-1.0	-45.27	388.95	6.01	-39.26
CSCC[C@H](NC(=O)C1(C)CC2=CC(Cl)=CC=C2C(=O)O1)C1=NN=N[N-]1	REAL300020169852	1	43	-1.0	-45.29	389.01	6.03	-39.26
CSCC[C@H](NC(=O)C1=C2N=CC=C(C(C)(C)C)N2N=C1)C1=NN=N[N-]1	REAL300020169853	0	47	-1.0	-57.09	395.76	5.51	-51.58
CSCC[C@H](NC(=O)C1=C2N=CC=C(C(C)(C)C)N2N=C1)C1=N[N-]N=N1	REAL300020169853	1	47	-1.0	-57.15	395.70	5.49	-51.66
CSCC[C@H](NC(=O)C12CCCN1C(=O)CCCC2)C1=N[N-]N=N1	REAL300020169854	0	47	-1.0	-50.57	375.71	4.43	-46.14
CSCC[C@H](NC(=O)C12CCCN1C(=O)CCCC2)C1=NN=N[N-]1	REAL300020169854	1	47	-1.0	-50.54	375.77	4.45	-46.09
CSCC[C@H](NC(=O)C1(C2=CC=CC=C2)CC1C(F)(F)F)C1=N[N-]N=N1	REAL300020169855	0	43	-1.0	-52.07	374.40	7.37	-44.70
CSCC[C@H](NC(=O)C1(C2=CC=CC=C2)CC1C(F)(F)F)C1=NN=N[N-]1	REAL300020169855	1	43	-1.0	-52.02	374.46	7.38	-44.64
CSCC[C@H](NC(=O)C1CCC2(CC2(F)F)C1)C1=N[N-]N=N1	REAL300020169856	0	40	-1.0	-47.84	350.20	5.16	-42.68
CSCC[C@H](NC(=O)C1CCC2(CC2(F)F)C1)C1=NN=N[N-]1	REAL300020169856	1	40	-1.0	-47.86	350.26	5.18	-42.68
CSCC[C@H](NC(=O)C1CCCC2C1C2(F)F)C1=N[N-]N=N1	REAL300020169857	0	40	-1.0	-44.67	339.37	5.05	-39.62
CSCC[C@H](NC(=O)C1CCCC2C1C2(F)F)C1=NN=N[N-]1	REAL300020169857	1	40	-1.0	-44.68	339.43	5.06	-39.62
C=C1CC2(C1)CC(C(=O)N[C@@H](CCSC)C1=N[N-]N=N1)C2	REAL300020169858	0	41	-1.0	-45.52	351.24	5.44	-40.08
C=C1CC2(C1)CC(C(=O)N[C@@H](CCSC)C1=NN=N[N-]1)C2	REAL300020169858	1	41	-1.0	-45.52	351.29	5.45	-40.07
CSCC[C@H](NC(=O)C[C@@H]1OC2=CC=CC=C2[C@@H]1C)C1=N[N-]N=N1	REAL300020169859	0	44	-1.0	-48.54	372.84	5.35	-43.19
CSCC[C@H](NC(=O)C[C@@H]1OC2=CC=CC=C2[C@@H]1C)C1=NN=N[N-]1	REAL300020169859	1	44	-1.0	-48.52	372.90	5.37	-43.15
CSCC[C@H](NC(=O)[C@H]1CCCC[C@H]1C(C)(C)C)C1=N[N-]N=N1	REAL300020169860	0	51	-1.0	-45.35	374.98	5.77	-39.58
CSCC[C@H](NC(=O)[C@H]1CCCC[C@H]1C(C)(C)C)C1=NN=N[N-]1	REAL300020169860	1	51	-1.0	-45.24	375.03	5.79	-39.45
CSCC[C@H](NC(=O)[C@]12C[C@H]1[C@H](NC(=O)OC(C)(C)C)C2)C1=N[N-]N=N1	REAL300020169861	0	51	-1.0	-46.54	427.08	3.55	-42.99
CSCC[C@H](NC(=O)[C@]12C[C@H]1[C@H](NC(=O)OC(C)(C)C)C2)C1=NN=N[N-]1	REAL300020169861	1	51	-1.0	-46.56	427.13	3.57	-42.99
CSCC[C@H](NC(=O)C1=C(C)N(C)N=C1C(F)F)C1=N[N-]N=N1	REAL300020169862	0	39	-1.0	-48.13	358.33	3.07	-45.06
CSCC[C@H](NC(=O)C1=C(C)N(C)N=C1C(F)F)C1=NN=N[N-]1	REAL300020169862	1	39	-1.0	-48.14	358.39	3.09	-45.05
COC(=O)[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020169863	0	44	-1.0	-57.01	371.89	3.39	-53.62
COC(=O)[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020169863	1	44	-1.0	-57.07	371.95	3.41	-53.66
CCC1=CC=C(C(=O)C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)S1	REAL300020169864	0	38	-1.0	-42.40	353.03	4.55	-37.85
CCC1=CC=C(C(=O)C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)S1	REAL300020169864	1	38	-1.0	-42.36	353.09	4.56	-37.80
CSCC[C@H](NC(=O)C1=CC(NC(=O)OC(C)(C)C)=CN1C)C1=N[N-]N=N1	REAL300020169865	0	51	-1.0	-46.86	424.68	3.68	-43.18
CSCC[C@H](NC(=O)C1=CC(NC(=O)OC(C)(C)C)=CN1C)C1=NN=N[N-]1	REAL300020169865	1	51	-1.0	-46.86	424.73	3.70	-43.16
CSCC[C@H](NC(=O)C1N(C(=O)OC(C)(C)C)CC12CCC2)C1=N[N-]N=N1	REAL300020169866	0	54	-1.0	-56.44	442.27	5.51	-50.93
CSCC[C@H](NC(=O)C1N(C(=O)OC(C)(C)C)CC12CCC2)C1=NN=N[N-]1	REAL300020169866	1	54	-1.0	-56.48	442.33	5.52	-50.96
CSCC[C@H](NC(=O)C1=CC(C2CCCC2)=NN1)C1=N[N-]N=N1	REAL300020169867	0	43	-1.0	-43.86	363.91	3.64	-40.22
CSCC[C@H](NC(=O)C1=CC(C2CCCC2)=NN1)C1=NN=N[N-]1	REAL300020169867	1	43	-1.0	-43.79	363.97	3.65	-40.14
CSCC[C@H](NC(=O)C1=CC=C2NC(=O)C(C)(C)OC2=C1)C1=N[N-]N=N1	REAL300020169868	0	45	-1.0	-47.98	387.86	2.66	-45.32
CSCC[C@H](NC(=O)C1=CC=C2NC(=O)C(C)(C)OC2=C1)C1=NN=N[N-]1	REAL300020169868	1	45	-1.0	-47.98	387.92	2.67	-45.31
CSCC[C@H](NC(=O)C1=CC=CC2=C1CCC(=O)N2)C1=N[N-]N=N1	REAL300020169869	0	41	-1.0	-47.62	351.54	3.24	-44.38
CSCC[C@H](NC(=O)C1=CC=CC2=C1CCC(=O)N2)C1=NN=N[N-]1	REAL300020169869	1	41	-1.0	-47.66	351.60	3.26	-44.40
CSCC[C@H](NC(=O)C1=C(C(F)F)N=C2C=NN(C)C2=C1)C1=N[N-]N=N1	REAL300020169870	0	41	-1.0	-49.76	367.26	3.02	-46.74
CSCC[C@H](NC(=O)C1=C(C(F)F)N=C2C=NN(C)C2=C1)C1=NN=N[N-]1	REAL300020169870	1	41	-1.0	-49.76	367.32	3.04	-46.72
COC(=O)C1=CC=CC2=C(C(=O)N[C@@H](CCSC)C3=N[N-]N=N3)C=CC=C12	REAL300020169871	0	45	-1.0	-47.23	388.33	6.81	-40.42
COC(=O)C1=CC=CC2=C(C(=O)N[C@@H](CCSC)C3=NN=N[N-]3)C=CC=C12	REAL300020169871	1	45	-1.0	-47.27	388.39	6.83	-40.44
CSCC[C@H](NC(=O)C1=CN=CC2=C1CCNC2=O)C1=N[N-]N=N1	REAL300020169872	0	40	-1.0	-43.17	346.84	0.75	-42.42
CSCC[C@H](NC(=O)C1=CN=CC2=C1CCNC2=O)C1=NN=N[N-]1	REAL300020169872	1	40	-1.0	-43.10	346.90	0.77	-42.33
CSCC[C@H](NC(=O)C1=CC(C)=C(C(F)F)C=N1)C1=N[N-]N=N1	REAL300020169873	0	38	-1.0	-45.52	343.25	3.74	-41.78
CSCC[C@H](NC(=O)C1=CC(C)=C(C(F)F)C=N1)C1=NN=N[N-]1	REAL300020169873	1	38	-1.0	-45.54	343.31	3.75	-41.79
CSCC[C@H](NC(=O)C1=CC2=C(CCCNC2=O)S1)C1=N[N-]N=N1	REAL300020169874	0	41	-1.0	-54.49	367.08	2.36	-52.13
CSCC[C@H](NC(=O)C1=CC2=C(CCCNC2=O)S1)C1=NN=N[N-]1	REAL300020169874	1	41	-1.0	-54.50	367.14	2.37	-52.13
CSCC[C@H](NC(=O)C1=CN=CC(C(=O)N(C)C)=C1)C1=NN=N[N-]1	REAL300020169875	0	42	-1.0	-52.11	363.74	2.06	-50.05
CSCC[C@H](NC(=O)C1=CN=CC(C(=O)N(C)C)=C1)C1=N[N-]N=N1	REAL300020169875	1	42	-1.0	-52.12	363.68	2.05	-50.07
CSCC[C@H](NC(=O)C1CCC2C1C2(F)F)C1=N[N-]N=N1	REAL300020169876	0	37	-1.0	-43.98	327.40	4.48	-39.50
CSCC[C@H](NC(=O)C1CCC2C1C2(F)F)C1=NN=N[N-]1	REAL300020169876	1	37	-1.0	-43.97	327.46	4.51	-39.46
CSCC[C@H](NC(=O)C1=NC2=C(Cl)N=CC=C2C=C1)C1=NN=N[N-]1	REAL300020169877	0	37	-1.0	-48.86	352.21	3.30	-45.56
CSCC[C@H](NC(=O)C1=NC2=C(Cl)N=CC=C2C=C1)C1=N[N-]N=N1	REAL300020169877	1	37	-1.0	-48.85	352.15	3.28	-45.57
CCOCC(NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020169878	0	53	-1.0	-46.39	441.10	1.88	-44.51
CCOCC(NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020169878	1	53	-1.0	-46.40	441.16	1.89	-44.51
CSCC[C@H](NC(=O)CC1(C)CCN(C(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300020169879	0	56	-1.0	-52.90	446.08	5.28	-47.62
CSCC[C@H](NC(=O)CC1(C)CCN(C(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300020169879	1	56	-1.0	-52.89	446.13	5.30	-47.59
CSCC[C@H](NC(=O)C1(C)CC(NC(=O)OC(C)(C)C)C1)C1=N[N-]N=N1	REAL300020169880	0	53	-1.0	-49.04	427.79	3.95	-45.09
CSCC[C@H](NC(=O)C1(C)CC(NC(=O)OC(C)(C)C)C1)C1=NN=N[N-]1	REAL300020169880	1	53	-1.0	-49.02	427.85	3.97	-45.05
CSCC[C@H](NC(=O)[C@H]1CC12CC(NC(=O)OC(C)(C)C)C2)C1=N[N-]N=N1	REAL300020169881	0	54	-1.0	-47.15	445.99	4.26	-42.89
CSCC[C@H](NC(=O)[C@H]1CC12CC(NC(=O)OC(C)(C)C)C2)C1=NN=N[N-]1	REAL300020169881	1	54	-1.0	-47.19	446.05	4.27	-42.92
COC1=CC=CC=C1OC(C)C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020169882	0	44	-1.0	-53.92	377.78	4.97	-48.95
COC1=CC=CC=C1OC(C)C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020169882	1	44	-1.0	-53.93	377.84	4.99	-48.94
CSCC[C@H](NC(=O)CN1N=CC(Cl)=C1C)C1=N[N-]N=N1	REAL300020169883	0	36	-1.0	-46.98	340.48	3.15	-43.83
CSCC[C@H](NC(=O)CN1N=CC(Cl)=C1C)C1=NN=N[N-]1	REAL300020169883	1	36	-1.0	-46.99	340.54	3.16	-43.83
CSCC[C@H](NC(=O)[C@@H](C)ONC(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300020169884	0	47	-1.0	-54.55	401.56	2.96	-51.59
CSCC[C@H](NC(=O)[C@@H](C)ONC(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300020169884	1	47	-1.0	-54.56	401.61	2.97	-51.59
CSCC[C@H](NC(=O)C1=CC=C(C)C(S(=O)(=O)N(C)C)=C1)C1=N[N-]N=N1	REAL300020169885	0	47	-1.0	-49.74	410.52	3.05	-46.69
CSCC[C@H](NC(=O)C1=CC=C(C)C(S(=O)(=O)N(C)C)=C1)C1=NN=N[N-]1	REAL300020169885	1	47	-1.0	-49.72	410.58	3.06	-46.66
CCC1=C(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)N2C=C(C)SC2=N1	REAL300020169886	0	42	-1.0	-47.79	373.73	5.84	-41.95
CSCC[C@H](NC(=O)C1CCC(C2CCCO2)O1)C1=N[N-]N=N1	REAL300020169887	0	45	-1.0	-53.62	374.26	3.74	-49.88
CSCC[C@H](NC(=O)C1CCC(C2CCCO2)O1)C1=NN=N[N-]1	REAL300020169887	1	45	-1.0	-53.62	374.32	3.76	-49.86
CSCC[C@H](NC(=O)[C@H]1[C@H]2CC[C@H]2CN1C(=O)OC(C)(C)C)C1=N[N-]N=N1	REAL300020169888	0	54	-1.0	-61.54	432.10	6.09	-55.45
CSCC[C@H](NC(=O)[C@H]1[C@H]2CC[C@H]2CN1C(=O)OC(C)(C)C)C1=NN=N[N-]1	REAL300020169888	1	54	-1.0	-61.54	432.15	6.11	-55.43
CSCC[C@H](NC(=O)C1=CC=C(F)C(C(F)(F)F)=C1Cl)C1=N[N-]N=N1	REAL300020169889	0	36	-1.0	-46.28	348.89	5.51	-40.77
CSCC[C@H](NC(=O)C1=CC=C(F)C(C(F)(F)F)=C1Cl)C1=NN=N[N-]1	REAL300020169889	1	36	-1.0	-46.30	348.95	5.52	-40.78
CSCC[C@H](NC(=O)C1=CC([N+](=O)[O-])=C(C)C=C1F)C1=N[N-]N=N1	REAL300020169890	0	38	-1.0	-46.34	348.89	5.46	-40.88
CSCC[C@H](NC(=O)C1=CC([N+](=O)[O-])=C(C)C=C1F)C1=NN=N[N-]1	REAL300020169890	1	38	-1.0	-46.38	348.94	5.47	-40.91
CSCC[C@H](NC(=O)C1=C2N=NN(C)C2=CC=C1)C1=NN=N[N-]1	REAL300020169891	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	REAL300020169891	1	38	-1.0	-63.22	340.32	2.72	-60.50
CSCC[C@H](NC(=O)C1=CN=C2OCCCC2=C1)C1=NN=N[N-]1	REAL300020169892	0	40	-1.0	-47.26	346.34	1.63	-45.63
CSCC[C@H](NC(=O)C1=CN=C2OCCCC2=C1)C1=N[N-]N=N1	REAL300020169892	1	40	-1.0	-47.23	346.29	1.61	-45.62
CSCC[C@H](NC(=O)C1=CC(C2=CC=NC=C2)=NO1)C1=N[N-]N=N1	REAL300020169893	0	38	-1.0	-42.59	351.44	3.32	-39.27
CSCC[C@H](NC(=O)C1=CC(C2=CC=NC=C2)=NO1)C1=NN=N[N-]1	REAL300020169893	1	38	-1.0	-42.58	351.49	3.34	-39.24
CSCC[C@H](NC(=O)C(F)(F)CCC1=CC=CC=C1)C1=N[N-]N=N1	REAL300020169894	0	42	-1.0	-40.87	375.30	6.48	-34.39
CSCC[C@H](NC(=O)C(F)(F)CCC1=CC=CC=C1)C1=NN=N[N-]1	REAL300020169894	1	42	-1.0	-40.89	375.36	6.49	-34.40
CSCC[C@H](NC(=O)C1=CC2=C(C=C(C)S2)S1)C1=N[N-]N=N1	REAL300020169895	0	36	-1.0	-45.70	348.66	5.39	-40.31
CSCC[C@H](NC(=O)C1=CC2=C(C=C(C)S2)S1)C1=NN=N[N-]1	REAL300020169895	1	36	-1.0	-45.72	348.72	5.40	-40.32
CSCC[C@H](NC(=O)CC12CCC(CC1)C2)C1=N[N-]N=N1	REAL300020169896	0	43	-1.0	-46.59	345.49	5.34	-41.25
CSCC[C@H](NC(=O)CC12CCC(CC1)C2)C1=NN=N[N-]1	REAL300020169896	1	43	-1.0	-46.59	345.55	5.36	-41.23
CSCC[C@H](NC(=O)C1CC=CC2=CC=CC=C21)C1=N[N-]N=N1	REAL300020169897	0	41	-1.0	-48.38	353.09	6.31	-42.07
CSCC[C@H](NC(=O)C1CC=CC2=CC=CC=C21)C1=NN=N[N-]1	REAL300020169897	1	41	-1.0	-48.44	353.15	6.33	-42.11
CSCC[C@H](NC(=O)CC1=CC=CC=C1CS(N)(=O)=O)C1=N[N-]N=N1	REAL300020169898	0	44	-1.0	-48.43	391.99	0.32	-48.11
CSCC[C@H](NC(=O)CC1=CC=CC=C1CS(N)(=O)=O)C1=NN=N[N-]1	REAL300020169898	1	44	-1.0	-48.46	392.05	0.34	-48.12
CCCOCCCC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020169899	0	42	-1.0	-47.72	360.67	3.38	-44.34
CCCOCCCC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020169899	1	42	-1.0	-47.71	360.73	3.40	-44.31
CSCC[C@H](NC(=O)C1=CN2C=NN=C2C=N1)C1=NN=N[N-]1	REAL300020169900	0	34	-1.0	-45.32	315.71	3.66	-41.66
CSCC[C@H](NC(=O)C1=CN2C=NN=C2C=N1)C1=N[N-]N=N1	REAL300020169900	1	34	-1.0	-45.26	315.65	3.65	-41.61
CSCC[C@H](NC(=O)CC1(C2=CC=C(C(F)(F)F)C=C2)CC1)C1=N[N-]N=N1	REAL300020169901	0	46	-1.0	-47.14	405.21	7.54	-39.60
CSCC[C@H](NC(=O)CC1(C2=CC=C(C(F)(F)F)C=C2)CC1)C1=NN=N[N-]1	REAL300020169901	1	46	-1.0	-47.15	405.27	7.55	-39.60
CSCC[C@H](NC(=O)C1=C(C#N)C=NN1C)C1=NN=N[N-]1	REAL300020169902	0	34	-1.0	-40.96	324.60	1.97	-38.99
CSCC[C@H](NC(=O)C1=C(C#N)C=NN1C)C1=N[N-]N=N1	REAL300020169902	1	34	-1.0	-41.01	324.54	1.96	-39.05
CON(CCC(=O)N[C@@H](CCSC)C1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL300020169903	0	50	-1.0	-45.11	421.09	4.14	-40.97
CON(CCC(=O)N[C@@H](CCSC)C1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL300020169903	1	50	-1.0	-45.11	421.15	4.16	-40.95
CSCC[C@H](NC(=O)C1=CC2=NNN=C2C(Br)=C1)C1=N[N-]N=N1	REAL300020169904	0	35	-1.0	-44.24	338.65	1.96	-42.28
CSCC[C@H](NC(=O)C1=CC2=NNN=C2C(Br)=C1)C1=NN=N[N-]1	REAL300020169904	1	35	-1.0	-44.20	338.71	1.98	-42.22
CSCC[C@H](NC(=O)C1=CC(NC(=O)OC(C)(C)C)=NO1)C1=N[N-]N=N1	REAL300020169905	0	46	-1.0	-43.96	397.99	2.69	-41.27
CSCC[C@H](NC(=O)C1=CC(NC(=O)OC(C)(C)C)=NO1)C1=NN=N[N-]1	REAL300020169905	1	46	-1.0	-43.97	398.05	2.70	-41.27
CSCC[C@H](NC(=O)C1=CC=CC2=NC=CC=C12)C1=NN=N[N-]1	REAL300020169906	0	38	-1.0	-47.57	333.39	4.45	-43.12
CSCC[C@H](NC(=O)C1=CC=CC2=NC=CC=C12)C1=N[N-]N=N1	REAL300020169906	1	38	-1.0	-47.56	333.33	4.44	-43.12
COC(=O)C1=CC(C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C(F)C=N1	REAL300020169907	0	38	-1.0	-45.99	353.14	3.04	-42.95
COC(=O)C1=CC(C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C(F)C=N1	REAL300020169907	1	38	-1.0	-45.98	353.08	3.02	-42.96
CSCC[C@H](NC(=O)C1=CC(C)=CC2=C1OCC2)C1=N[N-]N=N1	REAL300020169908	0	41	-1.0	-53.38	353.87	5.50	-47.88
CSCC[C@H](NC(=O)C1=CC(C)=CC2=C1OCC2)C1=NN=N[N-]1	REAL300020169908	1	41	-1.0	-53.42	353.93	5.52	-47.90
CSCC[C@H](NC(=O)C1=C2SC=CC2=CN=C1)C1=NN=N[N-]1	REAL300020169909	0	35	-1.0	-48.38	327.29	3.70	-44.68
CSCC[C@H](NC(=O)C1=C2SC=CC2=CN=C1)C1=N[N-]N=N1	REAL300020169909	1	35	-1.0	-48.42	327.24	3.68	-44.74
CSCC[C@H](NC(=O)CC(C)C(C)C(C)C)C1=N[N-]N=N1	REAL300020169910	0	47	-1.0	-45.05	367.62	5.29	-39.76
CSCC[C@H](NC(=O)CC(C)C(C)C(C)C)C1=NN=N[N-]1	REAL300020169910	1	47	-1.0	-45.08	367.68	5.30	-39.78
COC1CC2(C1)CC(C(=O)N[C@@H](CCSC)C1=N[N-]N=N1)C2	REAL300020169911	0	44	-1.0	-47.05	371.17	3.88	-43.17
COC1CC2(C1)CC(C(=O)N[C@@H](CCSC)C1=NN=N[N-]1)C2	REAL300020169911	1	44	-1.0	-47.08	371.23	3.90	-43.18
CSCC[C@H](NC(=O)CC1=CC=CC=C1COC(C)C)C1=N[N-]N=N1	REAL300020169912	0	49	-1.0	-49.54	413.55	6.25	-43.29
CSCC[C@H](NC(=O)CC1=CC=CC=C1COC(C)C)C1=NN=N[N-]1	REAL300020169912	1	49	-1.0	-49.56	413.61	6.26	-43.30
CSCC[C@H](NC(=O)C1CCC(C)(C)OC1)C1=N[N-]N=N1	REAL300020169913	0	43	-1.0	-44.68	349.12	3.10	-41.58
CSCC[C@H](NC(=O)C1CCC(C)(C)OC1)C1=NN=N[N-]1	REAL300020169913	1	43	-1.0	-44.72	349.17	3.11	-41.61
CSCC[C@H](NC(=O)[C@@H]1C[C@H]1C1=C(Cl)C=CC=C1Cl)C1=N[N-]N=N1	REAL300020169914	0	40	-1.0	-46.53	378.72	6.87	-39.66
CSCC[C@H](NC(=O)[C@@H]1C[C@H]1C1=C(Cl)C=CC=C1Cl)C1=NN=N[N-]1	REAL300020169914	1	40	-1.0	-46.52	378.78	6.89	-39.63
CSCC[C@H](NC(=O)CC1CCCNC(=O)C1)C1=N[N-]N=N1	REAL300020169915	0	43	-1.0	-59.79	354.38	1.61	-58.18
CSCC[C@H](NC(=O)CC1CCCNC(=O)C1)C1=NN=N[N-]1	REAL300020169915	1	43	-1.0	-59.78	354.43	1.63	-58.15
CSCC[C@H](NC(=O)C1(C)CC1C(F)(F)F)C1=N[N-]N=N1	REAL300020169916	0	36	-1.0	-44.67	322.98	4.01	-40.66
CSCC[C@H](NC(=O)C1(C)CC1C(F)(F)F)C1=NN=N[N-]1	REAL300020169916	1	36	-1.0	-44.70	323.04	4.03	-40.67
CSCC[C@H](NC(=O)C1CCCCC12CCC2)C1=N[N-]N=N1	REAL300020169917	0	46	-1.0	-47.39	359.45	6.17	-41.22
CSCC[C@H](NC(=O)C1CCCCC12CCC2)C1=NN=N[N-]1	REAL300020169917	1	46	-1.0	-47.40	359.51	6.19	-41.21
CSCC[C@H](NC(=O)C12COC(C)(C1)CCC2)C1=N[N-]N=N1	REAL300020169918	0	44	-1.0	-47.17	354.06	3.36	-43.81
CSCC[C@H](NC(=O)C12COC(C)(C1)CCC2)C1=NN=N[N-]1	REAL300020169918	1	44	-1.0	-47.19	354.12	3.38	-43.81
CSCC[C@H](NC(=O)C12CCCC1C2(F)F)C1=N[N-]N=N1	REAL300020169919	0	37	-1.0	-43.11	328.24	4.46	-38.65
CSCC[C@H](NC(=O)C12CCCC1C2(F)F)C1=NN=N[N-]1	REAL300020169919	1	37	-1.0	-43.10	328.30	4.47	-38.63
CSCC[C@H](NC(=O)[C@@H]1CCCC[C@H]1C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020169920	0	49	-1.0	-47.91	396.54	7.66	-40.25
CSCC[C@H](NC(=O)[C@@H]1CCCC[C@H]1C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020169920	1	49	-1.0	-47.91	396.60	7.68	-40.23
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CC1(C)CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CC(C)(C)C1	REAL300020175560	1	48	-1.0	-38.50	358.17	7.61	-30.89
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COC(=O)C1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C(C)O1	REAL300020175566	0	36	-1.0	-43.63	319.49	5.05	-38.58
COC(=O)C1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C(C)O1	REAL300020175566	1	36	-1.0	-43.58	319.53	5.04	-38.54
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C(CO)C1=CC=CC=C1	REAL300020175567	0	37	-1.0	-43.09	310.03	3.79	-39.30
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C(CO)C1=CC=CC=C1	REAL300020175567	1	37	-1.0	-43.08	310.08	3.79	-39.29
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(Cl)=C(Br)C=N1	REAL300020175568	0	29	-1.0	-39.04	294.15	4.79	-34.25
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(Cl)=C(Br)C=N1	REAL300020175568	1	29	-1.0	-39.12	294.10	4.78	-34.34
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=C2N=C(CO)NC2=CC=C1	REAL300020175569	0	37	-1.0	-50.08	319.14	1.87	-48.21
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=C2N=C(CO)NC2=CC=C1	REAL300020175569	1	37	-1.0	-50.08	319.18	1.87	-48.21
O=C(CC1=CN=CC2=CC=CC=C21)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175570	0	38	-1.0	-42.44	323.05	6.48	-35.96
O=C(CC1=CN=CC2=CC=CC=C21)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175570	1	38	-1.0	-42.47	323.01	6.48	-35.99
CC(=CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)CN1CCOCC1	REAL300020175571	0	43	-1.0	-40.18	343.72	2.91	-37.27
CC(=CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)CN1CCOCC1	REAL300020175571	1	43	-1.0	-40.15	343.77	2.91	-37.24
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NN=C(C2=CC=CO2)O1	REAL300020175572	0	32	-1.0	-46.06	298.05	-0.40	-46.46
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NN=C(C2=CC=CO2)O1	REAL300020175572	1	32	-1.0	-46.05	298.10	-0.40	-46.45
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC2=C1OC(F)(F)O2	REAL300020175573	0	33	-1.0	-41.15	300.43	5.13	-36.02
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC2=C1OC(F)(F)O2	REAL300020175573	1	33	-1.0	-41.16	300.47	5.13	-36.03
CN(C)C1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC(C(F)(F)F)=C1	REAL300020175574	0	41	-1.0	-42.18	352.01	6.89	-35.29
CN(C)C1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC(C(F)(F)F)=C1	REAL300020175574	1	41	-1.0	-42.16	352.06	6.89	-35.27
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC(SC(F)(F)F)=C1	REAL300020175575	0	34	-1.0	-36.95	317.87	6.95	-30.00
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC(SC(F)(F)F)=C1	REAL300020175575	1	34	-1.0	-37.03	317.91	6.96	-30.07
CC1=C(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)SC(SCC(C)C)=N1	REAL300020175576	0	45	-1.0	-38.97	394.85	7.35	-31.62
CC1=C(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)SC(SCC(C)C)=N1	REAL300020175576	1	45	-1.0	-38.97	394.89	7.35	-31.62
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NN2C=CC=NC2=N1	REAL300020175577	0	31	-1.0	-58.03	281.44	5.61	-52.42
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NN2C=CC=NC2=N1	REAL300020175577	1	31	-1.0	-58.30	282.41	5.63	-52.67
CC1=C2C=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)NC2=CC=C1Br	REAL300020175578	0	37	-1.0	-37.69	333.99	6.56	-31.13
CC1=C2C=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)NC2=CC=C1Br	REAL300020175578	1	37	-1.0	-37.67	333.03	6.54	-31.13
COC1=CC=CC=C1C(F)(F)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175579	0	37	-1.0	-46.22	322.74	5.64	-40.58
COC1=CC=CC=C1C(F)(F)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175579	1	37	-1.0	-46.19	322.79	5.64	-40.55
CC1=NNC2=CC=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C12	REAL300020175580	0	36	-1.0	-40.66	309.97	4.78	-35.88
CC1=NNC2=CC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=C12	REAL300020175580	1	36	-1.0	-40.69	310.02	4.78	-35.91
NC(=O)N=NC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020175581	0	36	-1.0	-42.89	322.61	0.65	-42.24
NC(=O)N=NC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020175581	1	36	-1.0	-42.88	322.66	0.65	-42.23
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CNC(=S)N1C1CC1	REAL300020175582	0	35	-1.0	-38.60	305.85	5.67	-32.93
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CNC(=S)N1C1CC1	REAL300020175582	1	35	-1.0	-38.61	305.91	5.68	-32.93
O=C(C=CC1=CC=C(C2OCCO2)O1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175583	0	40	-1.0	-46.58	348.45	4.96	-41.62
O=C(C=CC1=CC=C(C2OCCO2)O1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175583	1	40	-1.0	-46.57	348.49	4.96	-41.61
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=COC(C2=CC=CN=C2)=N1	REAL300020175584	0	35	-1.0	-49.35	316.73	2.15	-47.20
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=COC(C2=CC=CN=C2)=N1	REAL300020175584	1	35	-1.0	-49.36	316.69	2.14	-47.22
O=C(CC1=CC=C(NC(=O)C(F)(F)F)C=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175585	0	40	-1.0	-41.98	360.56	5.45	-36.53
O=C(CC1=CC=C(NC(=O)C(F)(F)F)C=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175585	1	40	-1.0	-41.94	360.61	5.45	-36.49
CC(C)(C)OC(=O)COC1=CC=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020175586	0	49	-1.0	-46.51	402.26	8.38	-38.13
CC(C)(C)OC(=O)COC1=CC=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020175586	1	49	-1.0	-46.50	402.30	8.38	-38.12
COCCCN1N=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=CC1=O	REAL300020175587	0	42	-1.0	-41.49	359.98	3.30	-38.19
COCCCN1N=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=CC1=O	REAL300020175587	1	42	-1.0	-41.48	360.01	3.30	-38.18
CC(C)(C)N1C=C(Br)C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=N1	REAL300020175588	0	39	-1.0	-46.74	346.04	5.90	-40.84
CC(C)(C)N1C=C(Br)C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=N1	REAL300020175588	1	39	-1.0	-46.77	345.99	5.89	-40.88
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=C2C=CSC2=NC=N1	REAL300020175589	0	31	-1.0	-43.14	286.27	4.77	-38.37
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=C2C=CSC2=NC=N1	REAL300020175589	1	31	-1.0	-43.20	286.23	4.76	-38.44
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=NN1C(F)F	REAL300020175590	0	30	-1.0	-43.49	261.83	3.97	-39.52
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=NN1C(F)F	REAL300020175590	1	30	-1.0	-43.49	261.75	3.98	-39.51
CN1C(=O)C(C)(C)C2=CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CC=C21	REAL300020175591	0	44	-1.0	-39.96	365.98	6.98	-32.98
CN1C(=O)C(C)(C)C2=CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=CC=C21	REAL300020175591	1	44	-1.0	-39.95	366.02	6.99	-32.96
CC(C)(C)OC(=O)COC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020175592	0	49	-1.0	-42.70	402.18	8.38	-34.32
CC(C)(C)OC(=O)COC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020175592	1	49	-1.0	-42.71	402.22	8.38	-34.33
CC1=NN(C(C)CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020175593	0	39	-1.0	-39.61	325.00	5.18	-34.43
CC1=NN(C(C)CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020175593	1	39	-1.0	-39.54	325.05	5.19	-34.35
O=C(CCCC1=CC=CN=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175594	0	38	-1.0	-41.51	323.90	5.97	-35.54
O=C(CCCC1=CC=CN=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175594	1	38	-1.0	-41.50	323.85	5.96	-35.54
COC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=C1C(F)(F)F	REAL300020175595	0	37	-1.0	-37.90	328.38	5.86	-32.04
COC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC=C1C(F)(F)F	REAL300020175595	1	37	-1.0	-37.88	328.43	5.87	-32.01
COC(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C1CCOC1	REAL300020175596	0	38	-1.0	-38.64	312.17	3.28	-35.36
COC(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C1CCOC1	REAL300020175596	1	38	-1.0	-40.81	313.17	3.33	-37.48
CC(C)(C)N1N=NC(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=N1	REAL300020175597	0	40	-1.0	-44.71	338.47	3.71	-41.00
CC(C)(C)N1N=NC(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=N1	REAL300020175597	1	40	-1.0	-44.68	338.52	3.71	-40.97
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C2COCCC2=C1	REAL300020175598	0	38	-1.0	-41.31	315.23	5.58	-35.73
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C2COCCC2=C1	REAL300020175598	1	38	-1.0	-41.26	315.27	5.58	-35.68
COCCCOCCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175599	0	40	-1.0	-39.76	336.83	3.09	-36.67
COCCCOCCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175599	1	40	-1.0	-39.79	336.88	3.09	-36.70
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=CC(Cl)=CC=C2S1	REAL300020175600	0	33	-1.0	-40.31	317.29	7.41	-32.90
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=CC(Cl)=CC=C2S1	REAL300020175600	1	33	-1.0	-40.29	317.34	7.41	-32.88
COC1=CC=C([C@@H]2C[C@H]2C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020175601	0	41	-1.0	-40.08	342.52	6.78	-33.30
COC1=CC=C([C@@H]2C[C@H]2C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020175601	1	41	-1.0	-40.08	342.57	6.78	-33.30
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC(C(=O)C2=CC=CO2)=C1	REAL300020175602	0	39	-1.0	-41.93	340.73	7.11	-34.82
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC(C(=O)C2=CC=CO2)=C1	REAL300020175602	1	39	-1.0	-41.89	340.77	7.12	-34.77
O=C(CC1=CC=C(C2CCCCC2)C=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175603	0	49	-1.0	-39.37	387.99	9.96	-29.41
O=C(CC1=CC=C(C2CCCCC2)C=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175603	1	49	-1.0	-39.32	388.03	9.97	-29.35
COCC1=CN=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020175604	0	36	-1.0	-41.93	311.64	3.41	-38.52
COCC1=CN=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020175604	1	36	-1.0	-41.92	311.60	3.41	-38.51
CN(C)C(=O)C1CCC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CC1	REAL300020175605	0	46	-1.0	-44.39	358.03	5.52	-38.87
CN(C)C(=O)C1CCC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CC1	REAL300020175605	1	46	-1.0	-44.42	358.08	5.53	-38.89
CC1=C(Br)C=NC=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175606	0	32	-1.0	-37.87	290.70	4.89	-32.98
CC1=C(Br)C=NC=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175606	1	32	-1.0	-37.83	290.75	4.90	-32.93
CC(C)N1C(=O)NC2=CC=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C21	REAL300020175607	0	43	-1.0	-40.63	356.06	5.73	-34.90
CC(C)N1C(=O)NC2=CC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=C21	REAL300020175607	1	43	-1.0	-40.61	356.11	5.73	-34.88
O=C(CC1=C(Cl)C=CC=C1Br)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175608	0	33	-1.0	-40.67	317.24	7.06	-33.61
O=C(CC1=C(Cl)C=CC=C1Br)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175608	1	33	-1.0	-40.70	317.29	7.07	-33.63
COC1=CC=CC(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1Cl	REAL300020175609	0	37	-1.0	-44.40	328.15	5.91	-38.49
COC1=CC=CC(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1Cl	REAL300020175609	1	37	-1.0	-44.40	328.19	5.91	-38.49
CCC(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)N(C)C(=O)OC(C)(C)C	REAL300020175610	0	49	-1.0	-43.47	385.75	6.67	-36.80
CCC(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)N(C)C(=O)OC(C)(C)C	REAL300020175610	1	49	-1.0	-43.47	385.79	6.67	-36.80
O=C(CCC1CC1(Cl)Cl)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175611	0	33	-1.0	-40.01	310.67	6.51	-33.50
O=C(CCC1CC1(Cl)Cl)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175611	1	33	-1.0	-39.98	310.71	6.52	-33.46
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C(CC1COCCO1)C(F)(F)F	REAL300020175612	0	41	-1.0	-39.89	340.53	4.17	-35.72
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C(CC1COCCO1)C(F)(F)F	REAL300020175612	1	41	-1.0	-39.86	340.59	4.17	-35.69
CC(C)C[C@H](NCC(F)(F)F)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175613	0	43	-1.0	-38.22	354.05	4.35	-33.87
CC(C)C[C@H](NCC(F)(F)F)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175613	1	43	-1.0	-38.28	354.10	4.35	-33.93
CC(C)(C)OC(=O)N1CC[C@H](CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020175614	0	50	-1.0	-43.28	395.52	6.23	-37.05
CC(C)(C)OC(=O)N1CC[C@H](CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020175614	1	50	-1.0	-43.28	395.57	6.24	-37.04
O=C(CC1=CC=C(Br)C=C1F)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175615	0	33	-1.0	-40.50	311.86	6.79	-33.71
O=C(CC1=CC=C(Br)C=C1F)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175615	1	33	-1.0	-40.52	311.90	6.79	-33.73
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(N2C=CN=N2)=CC=C1F	REAL300020175616	0	36	-1.0	-56.83	318.42	5.47	-51.36
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(N2C=CN=N2)=CC=C1F	REAL300020175616	1	36	-1.0	-56.86	318.38	5.47	-51.39
CC(C)N(CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL300020175617	0	49	-1.0	-45.61	383.59	6.53	-39.08
CC(C)N(CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL300020175617	1	49	-1.0	-45.61	383.64	6.53	-39.08
CC(=O)C1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=C1OC(C)C	REAL300020175618	0	45	-1.0	-41.52	369.02	7.99	-33.53
CC(=O)C1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC=C1OC(C)C	REAL300020175618	1	45	-1.0	-41.44	369.07	7.99	-33.45
NC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=NN1CC1=CC=CC=C1	REAL300020175619	0	42	-1.0	-44.42	356.65	6.14	-38.28
NC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=NN1CC1=CC=CC=C1	REAL300020175619	1	42	-1.0	-44.46	356.61	6.14	-38.32
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O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=C2CCCCN2C=C1	REAL300020175620	1	38	-1.0	-46.32	310.49	6.71	-39.61
CC1=CC=NC(NC2=CC=CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=C2)=N1	REAL300020175621	0	43	-1.0	-45.97	364.82	8.75	-37.22
CC1=CC=NC(NC2=CC=CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=C2)=N1	REAL300020175621	1	43	-1.0	-45.99	364.77	8.73	-37.26
CCNC1=NC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)S1	REAL300020175622	0	34	-1.0	-41.22	307.67	3.50	-37.72
CCNC1=NC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)S1	REAL300020175622	1	34	-1.0	-41.26	307.63	3.49	-37.77
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C(F)(F)C1=CC=C(Br)C=C1	REAL300020175623	0	33	-1.0	-38.90	316.11	6.86	-32.04
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C(F)(F)C1=CC=C(Br)C=C1	REAL300020175623	1	33	-1.0	-38.91	316.15	6.86	-32.05
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(C2CC2)C=C1	REAL300020175624	0	37	-1.0	-40.87	310.68	7.59	-33.28
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(C2CC2)C=C1	REAL300020175624	1	37	-1.0	-40.85	310.73	7.59	-33.26
COC(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C1CCCC1	REAL300020175625	0	40	-1.0	-40.35	312.73	5.81	-34.54
COC(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C1CCCC1	REAL300020175625	1	40	-1.0	-40.31	312.78	5.81	-34.50
CC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175626	0	40	-1.0	-40.53	331.89	8.02	-32.51
CC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175626	1	40	-1.0	-40.56	331.94	8.02	-32.54
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CC2=CC=CC=C2CO1	REAL300020175627	0	38	-1.0	-40.62	317.50	6.54	-34.08
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CC2=CC=CC=C2CO1	REAL300020175627	1	38	-1.0	-40.64	317.55	6.54	-34.10
COC(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C1CCCCC1	REAL300020175628	0	43	-1.0	-38.52	334.45	6.83	-31.69
COC(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C1CCCCC1	REAL300020175628	1	43	-1.0	-38.61	334.62	6.86	-31.75
CC1CC2=CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CC=C2O1	REAL300020175629	0	38	-1.0	-41.52	318.38	6.06	-35.46
CC1CC2=CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=CC=C2O1	REAL300020175629	1	38	-1.0	-41.53	318.42	6.07	-35.46
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CC2(C1)CCCCC2	REAL300020175630	0	43	-1.0	-38.30	332.55	7.37	-30.93
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CC2(C1)CCCCC2	REAL300020175630	1	43	-1.0	-38.31	332.60	7.37	-30.94
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(Cl)=CC2=CC=CC=C21	REAL300020175631	0	36	-1.0	-43.18	320.03	8.24	-34.94
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(Cl)=CC2=CC=CC=C21	REAL300020175631	1	36	-1.0	-42.37	318.40	8.25	-34.12
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CN2C=C(C(F)(F)F)N=C12	REAL300020175632	0	36	-1.0	-57.98	327.60	7.77	-50.21
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CN2C=C(C(F)(F)F)N=C12	REAL300020175632	1	36	-1.0	-58.02	327.57	7.77	-50.25
CC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C(C)N1C1=CN(C)N=C1	REAL300020175633	0	44	-1.0	-46.27	370.35	7.14	-39.13
CC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C(C)N1C1=CN(C)N=C1	REAL300020175633	1	44	-1.0	-46.26	370.30	7.13	-39.13
CC1=NC(C2=CC=CS2)=C(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)S1	REAL300020175634	0	39	-1.0	-42.36	356.55	6.48	-35.88
CC1=NC(C2=CC=CS2)=C(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)S1	REAL300020175634	1	39	-1.0	-42.36	356.52	6.48	-35.88
COCC1=CSC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020175635	0	34	-1.0	-41.11	308.93	4.21	-36.90
COCC1=CSC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020175635	1	34	-1.0	-41.09	308.97	4.21	-36.88
CC(CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C1CCCO1	REAL300020175636	0	40	-1.0	-40.19	315.11	4.78	-35.41
CC(CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C1CCCO1	REAL300020175636	1	40	-1.0	-40.18	315.15	4.78	-35.40
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(NC2=[NH+]CCC2)C=C1	REAL300020175637	0	43	0.0	-53.87	349.36	6.05	-47.82
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(NC2=NCCC2)C=C1	REAL300020175637	1	42	-1.0	-46.93	347.17	6.27	-40.66
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC(NCC2=CC=CC=N2)=C1	REAL300020175638	0	44	-1.0	-44.22	372.89	6.24	-37.98
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC(NCC2=CC=CC=N2)=C1	REAL300020175638	1	44	-1.0	-44.25	372.84	6.24	-38.01
NC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC(Br)=N1	REAL300020175639	0	31	-1.0	-39.69	293.37	2.97	-36.72
NC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC(Br)=N1	REAL300020175639	1	31	-1.0	-39.66	293.32	2.97	-36.69
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NOC2=C1COCC2	REAL300020175640	0	34	-1.0	-45.68	293.28	3.09	-42.59
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NOC2=C1COCC2	REAL300020175640	1	34	-1.0	-46.02	292.31	3.06	-42.96
CC1=CN2C=CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CC2=N1	REAL300020175641	0	36	-1.0	-42.09	310.02	6.64	-35.45
CC1=CN2C=CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=CC2=N1	REAL300020175641	1	36	-1.0	-42.08	309.06	6.62	-35.46
COC1=CC(OC)=C2C(=O)C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CNC2=C1	REAL300020175642	0	44	-1.0	-63.80	365.83	5.33	-58.47
COC1=CC(OC)=C2C(=O)C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=CNC2=C1	REAL300020175642	1	44	-1.0	-63.77	365.88	5.33	-58.44
O=C(CC1NC(=O)C2=CC=CC=C21)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175643	0	38	-1.0	-42.28	324.82	3.91	-38.37
O=C(CC1NC(=O)C2=CC=CC=C21)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175643	1	38	-1.0	-42.26	324.86	3.92	-38.34
CNC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1F	REAL300020175644	0	35	-1.0	-39.76	301.76	4.38	-35.38
CNC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1F	REAL300020175644	1	35	-1.0	-39.78	301.80	4.38	-35.40
CC(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C(O)CN(C)C(=O)OC(C)(C)C	REAL300020175645	0	53	-1.0	-47.27	415.42	4.64	-42.63
CC(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C(O)CN(C)C(=O)OC(C)(C)C	REAL300020175645	1	53	-1.0	-47.32	415.46	4.64	-42.68
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CCC2C(C1)C2(F)F	REAL300020175646	0	37	-1.0	-40.59	304.13	6.44	-34.15
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CCC2C(C1)C2(F)F	REAL300020175646	1	37	-1.0	-40.60	304.18	6.44	-34.16
CS(=O)(=O)N1CCC[C@H](C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020175647	0	41	-1.0	-43.40	341.94	2.10	-41.30
CS(=O)(=O)N1CCC[C@H](C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020175647	1	41	-1.0	-43.42	341.99	2.10	-41.32
COC1=CC=C(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1OC(F)F	REAL300020175648	0	41	-1.0	-45.68	353.64	5.62	-40.06
COC1=CC=C(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1OC(F)F	REAL300020175648	1	41	-1.0	-45.66	353.68	5.62	-40.04
CC1=CC=CC(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1Br	REAL300020175649	0	36	-1.0	-41.39	321.52	7.21	-34.18
CC1=CC=CC(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1Br	REAL300020175649	1	36	-1.0	-41.35	321.56	7.22	-34.13
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(C(=O)N2CCOCC2)C=C1	REAL300020175650	0	45	-1.0	-40.05	367.68	4.99	-35.06
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(C(=O)N2CCOCC2)C=C1	REAL300020175650	1	45	-1.0	-40.05	367.73	4.99	-35.06
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(CN2C=CN=N2)C=C1	REAL300020175651	0	39	-1.0	-47.70	339.16	5.91	-41.79
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(CN2C=CN=N2)C=C1	REAL300020175651	1	39	-1.0	-47.71	339.12	5.91	-41.80
CC1=CC(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=NC=C1Cl	REAL300020175652	0	35	-1.0	-42.04	314.37	5.60	-36.44
CC1=CC(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=NC=C1Cl	REAL300020175652	1	35	-1.0	-42.08	314.41	5.60	-36.48
NC1=C(Cl)C=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1Cl	REAL300020175653	0	32	-1.0	-38.49	305.17	4.53	-33.96
NC1=C(Cl)C=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1Cl	REAL300020175653	1	32	-1.0	-38.48	305.22	4.53	-33.95
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(C(F)(F)F)=CC=C1Cl	REAL300020175654	0	33	-1.0	-40.84	312.74	7.00	-33.84
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(C(F)(F)F)=CC=C1Cl	REAL300020175654	1	33	-1.0	-40.82	312.78	7.00	-33.82
CCN1C(=O)NC2=CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CC=C21	REAL300020175655	0	40	-1.0	-40.66	341.23	5.29	-35.37
CCN1C(=O)NC2=CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=CC=C21	REAL300020175655	1	40	-1.0	-40.64	341.27	5.29	-35.35
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C2NC(=O)N(C3CC3)C2=C1	REAL300020175656	0	41	-1.0	-40.70	346.27	5.94	-34.76
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C2NC(=O)N(C3CC3)C2=C1	REAL300020175656	1	41	-1.0	-40.70	346.31	5.94	-34.76
CC(C)(C)O[C@@H]1C[C@H]1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175657	0	40	-1.0	-38.95	326.47	4.98	-33.97
CC(C)(C)O[C@@H]1C[C@H]1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175657	1	40	-1.0	-38.95	326.51	4.99	-33.96
COC(=O)N1CCC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CC1	REAL300020175658	0	41	-1.0	-41.13	334.39	4.36	-36.77
COC(=O)N1CCC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CC1	REAL300020175658	1	41	-1.0	-43.47	335.40	4.38	-39.09
O=C(CCC1=CC=CN=C1Cl)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175659	0	35	-1.0	-43.81	315.24	5.49	-38.32
O=C(CCC1=CC=CN=C1Cl)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175659	1	35	-1.0	-43.85	315.19	5.48	-38.37
CC(C)(C)OC(=O)N1CCCCC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020175660	0	53	-1.0	-41.75	404.74	7.46	-34.29
CC(C)(C)OC(=O)N1CCCCC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020175660	1	53	-1.0	-41.74	404.79	7.47	-34.27
CC(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175661	0	53	-1.0	-40.49	425.14	4.02	-36.47
CC(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175661	1	53	-1.0	-40.49	425.18	4.02	-36.47
CC(C)(C)OC(=O)NCCN1C=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)N=N1	REAL300020175662	0	49	-1.0	-54.54	410.69	2.43	-52.11
CC(C)(C)OC(=O)NCCN1C=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)N=N1	REAL300020175662	1	49	-1.0	-54.58	410.65	2.43	-52.15
CS(=O)(=O)C1=CC=C(C=CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)O1	REAL300020175663	0	37	-1.0	-50.75	340.90	2.45	-48.30
CS(=O)(=O)C1=CC=C(C=CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)O1	REAL300020175663	1	37	-1.0	-50.69	340.94	2.45	-48.24
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(Br)=CNC1=O	REAL300020175664	0	30	-1.0	-53.41	284.12	3.34	-50.07
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(Br)=CNC1=O	REAL300020175664	1	30	-1.0	-53.42	284.22	3.34	-50.08
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN=C2CCCCCN12	REAL300020175665	0	40	-1.0	-43.48	316.39	5.83	-37.65
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN=C2CCCCCN12	REAL300020175665	1	40	-1.0	-43.52	316.46	5.84	-37.68
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=C(C=CC3=C2C=CC=C3)O1	REAL300020175666	0	39	-1.0	-46.30	339.03	8.13	-38.17
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=C(C=CC3=C2C=CC=C3)O1	REAL300020175666	1	39	-1.0	-46.31	339.08	8.14	-38.17
CC1=C(S(C)(=O)=O)C=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)O1	REAL300020175667	0	36	-1.0	-51.79	326.55	1.79	-50.00
CC1=C(S(C)(=O)=O)C=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)O1	REAL300020175667	1	36	-1.0	-49.69	325.58	1.76	-47.93
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=CSC=C2S1	REAL300020175668	0	30	-1.0	-45.00	291.66	5.85	-39.15
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CC1=CC=CC=C1CC(C)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175669	0	42	-1.0	-38.80	338.20	7.88	-30.92
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O=C(NC1=CC=CC=C1C1=N[N-]N=N1)[C@@H]1C[C@H]1C1=CSC(Br)=C1	REAL300020175717	0	34	-1.0	-37.94	325.42	7.17	-30.77
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)[C@@H]1C[C@H]1C1=CSC(Br)=C1	REAL300020175717	1	34	-1.0	-37.92	325.47	7.18	-30.74
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(OC2CC2(F)F)C=C1	REAL300020175718	0	38	-1.0	-42.99	335.36	6.65	-36.34
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(OC2CC2(F)F)C=C1	REAL300020175718	1	38	-1.0	-42.94	335.41	6.66	-36.28
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(OC(F)(F)F)C(Cl)=C1	REAL300020175719	0	34	-1.0	-35.60	323.40	5.83	-29.77
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(OC(F)(F)F)C(Cl)=C1	REAL300020175719	1	34	-1.0	-35.52	323.44	5.84	-29.68
COC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=C1Br	REAL300020175720	0	34	-1.0	-38.15	311.37	5.44	-32.71
COC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC=C1Br	REAL300020175720	1	34	-1.0	-38.15	311.42	5.44	-32.71
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1C2CC3=CC=CC=C3C21	REAL300020175721	0	38	-1.0	-41.98	312.64	7.93	-34.05
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1C2CC3=CC=CC=C3C21	REAL300020175721	1	38	-1.0	-41.94	312.69	7.93	-34.01
CC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=C1OC(F)(F)F	REAL300020175722	0	37	-1.0	-38.31	327.44	6.02	-32.29
CC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC=C1OC(F)(F)F	REAL300020175722	1	37	-1.0	-38.30	327.48	6.03	-32.27
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1COC2=CC(F)=CC=C2C1	REAL300020175723	0	38	-1.0	-38.24	321.67	6.06	-32.18
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1COC2=CC(F)=CC=C2C1	REAL300020175723	1	38	-1.0	-38.19	321.71	6.06	-32.13
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C(S(C)(=O)=O)O1	REAL300020175724	0	36	-1.0	-50.83	326.43	1.85	-48.98
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C(S(C)(=O)=O)O1	REAL300020175724	1	36	-1.0	-50.84	326.48	1.85	-48.99
CC1=CC=CC=C1COC(C)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175725	0	43	-1.0	-41.06	356.25	7.84	-33.22
CC1=CC=CC=C1COC(C)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175725	1	43	-1.0	-41.04	356.29	7.85	-33.19
CSC1=CC(C)=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)O1	REAL300020175726	0	34	-1.0	-41.57	305.82	5.34	-36.23
CSC1=CC(C)=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)O1	REAL300020175726	1	34	-1.0	-41.56	305.86	5.34	-36.22
CC(C)C1=CC=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020175727	0	39	-1.0	-40.88	321.68	7.39	-33.49
CC(C)C1=CC=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020175727	1	39	-1.0	-40.88	321.72	7.39	-33.49
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CSC(C(F)(F)F)=C1	REAL300020175728	0	30	-1.0	-36.80	292.38	5.58	-31.22
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CSC(C(F)(F)F)=C1	REAL300020175728	1	30	-1.0	-36.83	292.43	5.58	-31.25
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)[C@@H]1CC[C@@H](C2=CC=CC=C2)C1	REAL300020175729	0	43	-1.0	-39.19	347.00	8.54	-30.65
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)[C@@H]1CC[C@@H](C2=CC=CC=C2)C1	REAL300020175729	1	43	-1.0	-38.64	346.03	8.52	-30.12
COCCCN1C=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=N1	REAL300020175730	0	40	-1.0	-45.36	343.28	3.92	-41.44
COCCCN1C=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=N1	REAL300020175730	1	40	-1.0	-45.42	343.24	3.92	-41.50
CC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=NN1C1CCOCC1	REAL300020175731	0	44	-1.0	-51.95	360.06	4.75	-47.20
CC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=NN1C1CCOCC1	REAL300020175731	1	44	-1.0	-51.91	360.10	4.76	-47.15
CN1C=C(N2CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)CC2=O)C=N1	REAL300020175732	0	41	-1.0	-41.55	346.96	4.25	-37.30
CN1C=C(N2CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)CC2=O)C=N1	REAL300020175732	1	41	-1.0	-41.53	346.92	4.24	-37.29
CC(CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=NC=C1	REAL300020175733	0	38	-1.0	-39.40	316.28	5.65	-33.75
CC(CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=NC=C1	REAL300020175733	1	38	-1.0	-39.42	316.32	5.66	-33.76
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=C2C=CSC2=CN=C1	REAL300020175734	0	32	-1.0	-42.43	288.43	4.99	-37.44
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=C2C=CSC2=CN=C1	REAL300020175734	1	32	-1.0	-42.54	289.39	5.02	-37.52
C[C@H](OC1=CC=C(Cl)C=C1Cl)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175735	0	37	-1.0	-38.36	346.11	7.67	-30.69
C[C@H](OC1=CC=C(Cl)C=C1Cl)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175735	1	37	-1.0	-38.75	345.40	7.67	-31.08
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC(CN2C=CN=N2)=C1	REAL300020175736	0	39	-1.0	-51.19	339.17	5.90	-45.29
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC(CN2C=CN=N2)=C1	REAL300020175736	1	39	-1.0	-51.23	339.13	5.90	-45.33
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=CC(C(F)(F)F)=CC=C2S1	REAL300020175737	0	36	-1.0	-39.97	339.16	7.89	-32.08
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=CC(C(F)(F)F)=CC=C2S1	REAL300020175737	1	36	-1.0	-39.93	339.20	7.89	-32.04
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=C(Br)N=C2COCCN21	REAL300020175738	0	35	-1.0	-39.84	310.67	3.79	-36.05
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=C(Br)N=C2COCCN21	REAL300020175738	1	35	-1.0	-43.82	320.40	3.59	-40.23
CC1=CC=CC=C1COCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175739	0	40	-1.0	-41.59	336.77	7.14	-34.45
CC1=CC=CC=C1COCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175739	1	40	-1.0	-41.56	336.81	7.15	-34.41
CC1=CC=CC(COCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020175740	0	40	-1.0	-41.62	342.01	7.11	-34.51
CC1=CC=CC(COCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020175740	1	40	-1.0	-41.60	342.05	7.13	-34.47
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=C2SC=CC2=CC=N1	REAL300020175741	0	32	-1.0	-47.34	293.32	5.13	-42.21
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=C2SC=CC2=CC=N1	REAL300020175741	1	32	-1.0	-47.39	293.27	5.13	-42.26
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CC(=O)N(C2=CC=C(F)C(F)=C2)C1	REAL300020175742	0	41	-1.0	-41.59	353.88	6.52	-35.07
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CC(=O)N(C2=CC=C(F)C(F)=C2)C1	REAL300020175742	1	41	-1.0	-41.58	353.92	6.52	-35.06
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2	REAL300020175743	0	39	-1.0	-55.92	318.45	4.29	-51.63
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2	REAL300020175743	1	39	-1.0	-55.96	318.49	4.29	-51.67
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=N1	REAL300020175744	0	36	-2.0	-100.13	330.40	1.59	-98.54
CS(=O)(=O)[N-]C1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=N1	REAL300020175744	1	36	-2.0	-100.15	330.35	1.59	-98.56
CS(=O)(=O)NC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=N1	REAL300020175744	1	37	-1.0	-49.47	330.47	1.73	-47.74
CS(=O)(=O)NC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=N1	REAL300020175744	1	37	-1.0	-49.48	330.43	1.73	-47.75
O=C(CN1C=CC(C(F)F)=N1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175745	0	33	-1.0	-43.74	299.92	4.40	-39.34
O=C(CN1C=CC(C(F)F)=N1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175745	1	33	-1.0	-43.76	299.96	4.40	-39.36
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC2=CC(=O)NC=C21	REAL300020175746	0	36	-1.0	-41.01	307.40	4.66	-36.35
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC2=CC(=O)NC=C21	REAL300020175746	1	36	-1.0	-41.08	307.47	4.67	-36.41
CC1=CN2C=CN=C2C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020175747	0	36	-1.0	-53.45	307.24	7.39	-46.06
CC1=CN2C=CN=C2C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020175747	1	36	-1.0	-53.45	307.19	7.39	-46.06
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(SC(F)(F)F)N=C1	REAL300020175748	0	33	-1.0	-41.22	316.41	5.73	-35.49
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(SC(F)(F)F)N=C1	REAL300020175748	1	33	-1.0	-41.22	316.36	5.73	-35.49
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=NC(N2CCOCC2)=N1	REAL300020175749	0	41	-1.0	-45.31	341.29	3.91	-41.40
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=NC(N2CCOCC2)=N1	REAL300020175749	1	41	-1.0	-45.35	341.25	3.90	-41.45
CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020175750	0	47	-1.0	-47.23	378.31	4.18	-43.05
CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020175750	1	47	-1.0	-47.16	378.35	4.19	-42.97
CC1=CC=C(COCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020175751	0	40	-1.0	-41.50	342.01	7.12	-34.38
CC1=CC=C(COCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020175751	1	40	-1.0	-41.51	342.05	7.14	-34.37
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=C(C=C1Br)OCO2	REAL300020175752	0	33	-1.0	-40.09	303.77	4.78	-35.31
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=C(C=C1Br)OCO2	REAL300020175752	1	33	-1.0	-40.06	303.81	4.79	-35.27
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(C(F)F)=CC=C1F	REAL300020175753	0	33	-1.0	-49.19	300.19	6.49	-42.70
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(C(F)F)=CC=C1F	REAL300020175753	1	33	-1.0	-49.15	300.24	6.49	-42.66
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CCN(C(=O)C2=CC=CC=C2)C1	REAL300020175754	0	44	-1.0	-40.73	359.31	6.30	-34.43
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CCN(C(=O)C2=CC=CC=C2)C1	REAL300020175754	1	44	-1.0	-40.70	359.36	6.30	-34.40
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=C(F)N(C2=CC=CC=C2)N=C1	REAL300020175755	0	37	-1.0	-41.77	328.99	6.59	-35.18
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=C(F)N(C2=CC=CC=C2)N=C1	REAL300020175755	1	37	-1.0	-41.77	328.94	6.58	-35.19
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=C(Cl)C2=CC=CN=C2S1	REAL300020175756	0	32	-1.0	-44.94	307.19	5.49	-39.45
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=C(Cl)C2=CC=CN=C2S1	REAL300020175756	1	32	-1.0	-44.83	308.16	5.50	-39.33
COC1=CC(CCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC(OC)=C1O	REAL300020175757	0	45	-1.0	-42.85	377.01	3.97	-38.88
COC1=CC(CCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC(OC)=C1O	REAL300020175757	1	45	-1.0	-42.83	377.05	3.98	-38.85
O=C(CC[C@@H]1CC[C@H](C(F)(F)F)O1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175758	0	40	-1.0	-40.75	343.46	5.42	-35.33
O=C(CC[C@@H]1CC[C@H](C(F)(F)F)O1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175758	1	40	-1.0	-40.80	343.50	5.43	-35.37
COC1=CC=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1C	REAL300020175759	0	37	-1.0	-41.29	304.35	5.52	-35.77
COC1=CC=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1C	REAL300020175759	1	37	-1.0	-41.31	304.39	5.51	-35.80
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=CC=CC=C2N1CC1=CC=NC=C1	REAL300020175760	0	46	-1.0	-43.63	383.05	9.05	-34.58
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=CC=CC=C2N1CC1=CC=NC=C1	REAL300020175760	1	46	-1.0	-43.43	382.63	9.04	-34.39
CCC1=CNC(=O)C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020175761	0	36	-1.0	-58.51	305.96	4.09	-54.42
CCC1=CNC(=O)C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020175761	1	36	-1.0	-58.48	306.05	4.10	-54.38
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C(O)CC1=CC=CC=C1	REAL300020175762	0	37	-1.0	-39.82	316.99	4.77	-35.05
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C(O)CC1=CC=CC=C1	REAL300020175762	1	37	-1.0	-39.78	317.04	4.77	-35.01
CN1N=CC(Cl)=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175763	0	30	-1.0	-35.02	280.48	3.78	-31.24
CN1N=CC(Cl)=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175763	1	30	-1.0	-35.07	280.43	3.78	-31.29
CC1=CC(C)=CC(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020175764	0	39	-1.0	-39.91	327.95	7.46	-32.45
CC1=CC(C)=CC(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020175764	1	39	-1.0	-39.85	327.99	7.46	-32.39
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(OC2=CC=C(F)C=C2)N=C1	REAL300020175765	0	40	-1.0	-40.75	354.20	5.94	-34.81
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(OC2=CC=C(F)C=C2)N=C1	REAL300020175765	1	40	-1.0	-40.78	354.16	5.94	-34.84
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC(N2CCCC2)=C1	REAL300020175766	0	42	-1.0	-41.51	339.75	5.97	-35.54
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC(N2CCCC2)=C1	REAL300020175766	1	42	-1.0	-41.50	339.80	5.98	-35.52
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=C2C=CC=C(Br)N2N=C1	REAL300020175767	0	33	-1.0	-45.90	310.21	5.73	-40.17
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=C2C=CC=C(Br)N2N=C1	REAL300020175767	1	33	-1.0	-45.91	310.17	5.72	-40.19
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(OC2=CC=CC=C2F)N=C1	REAL300020175768	0	40	-1.0	-44.47	354.99	5.84	-38.63
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(OC2=CC=CC=C2F)N=C1	REAL300020175768	1	40	-1.0	-44.42	354.94	5.84	-38.58
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C2C(=C1)NC(=O)N2C1CC1	REAL300020175769	0	41	-1.0	-40.60	346.21	5.94	-34.66
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C2C(=C1)NC(=O)N2C1CC1	REAL300020175769	1	41	-1.0	-40.53	346.26	5.95	-34.58
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(NC2=CC=CN=C2)C=C1	REAL300020175770	0	41	-1.0	-44.29	348.99	6.01	-38.28
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(NC2=CC=CN=C2)C=C1	REAL300020175770	1	41	-1.0	-43.24	347.18	6.01	-37.23
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=C2CC(=O)NC2=NC=C1	REAL300020175771	0	34	-1.0	-37.98	296.19	3.11	-34.87
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=C2CC(=O)NC2=NC=C1	REAL300020175771	1	34	-1.0	-37.98	296.23	3.13	-34.85
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=NC(C(F)(F)F)=CN2C=C1	REAL300020175772	0	36	-1.0	-40.13	328.25	6.98	-33.15
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=NC(C(F)(F)F)=CN2C=C1	REAL300020175772	1	36	-1.0	-40.03	329.22	7.00	-33.03
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)[C@@H]2C1	REAL300020175773	0	51	-1.0	-45.90	401.22	6.77	-39.13
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)[C@@H]2C1	REAL300020175773	1	51	-1.0	-41.84	400.27	6.75	-35.09
COC(=O)C=CC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)O1	REAL300020175774	0	37	-1.0	-44.10	335.23	5.66	-38.44
COC(=O)C=CC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)O1	REAL300020175774	1	37	-1.0	-44.06	335.28	5.66	-38.40
CC(C)(C)C1=CC=C(C=CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020175775	0	46	-1.0	-40.63	372.11	8.99	-31.64
CC(C)(C)C1=CC=C(C=CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020175775	1	46	-1.0	-40.44	371.13	8.96	-31.48
CCN1N=CC(Cl)=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175776	0	33	-1.0	-36.08	289.09	5.12	-30.96
CCN1N=CC(Cl)=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175776	1	33	-1.0	-36.10	289.07	5.12	-30.98
COC(=O)C1=C(C)C=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)O1	REAL300020175777	0	36	-1.0	-42.44	320.52	4.88	-37.56
COC(=O)C1=C(C)C=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)O1	REAL300020175777	1	36	-1.0	-42.23	319.55	4.87	-37.36
COC(=O)C1=CN(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)N=C1	REAL300020175778	0	36	-1.0	-42.92	322.13	4.26	-38.66
COC(=O)C1=CN(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)N=C1	REAL300020175778	1	36	-1.0	-42.95	322.09	4.25	-38.70
CC(C)CCC(NC(=O)OC(C)(C)C)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175779	0	55	-1.0	-39.65	424.09	5.74	-33.91
CC(C)CCC(NC(=O)OC(C)(C)C)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175779	1	55	-1.0	-39.59	424.14	5.75	-33.84
C[C@@H](CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)NC(=O)OC(C)(C)C	REAL300020175780	0	46	-1.0	-41.78	370.96	4.19	-37.59
C[C@@H](CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)NC(=O)OC(C)(C)C	REAL300020175780	1	46	-1.0	-41.74	371.01	4.19	-37.55
CC(C)(C)OC(=O)NC1CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020175781	0	48	-1.0	-40.96	387.24	4.87	-36.09
CC(C)(C)OC(=O)NC1CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020175781	1	48	-1.0	-42.59	388.28	4.88	-37.71
NC(=O)C1=CC=C(C=CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)O1	REAL300020175782	0	35	-1.0	-42.04	318.58	1.76	-40.28
NC(=O)C1=CC=C(C=CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)O1	REAL300020175782	1	35	-1.0	-42.04	318.62	1.77	-40.27
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)OC(S(N)(=O)=O)=C1	REAL300020175783	0	35	-1.0	-50.60	319.22	-0.84	-51.44
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)OC(S(N)(=O)=O)=C1	REAL300020175783	1	35	-1.0	-50.60	319.26	-0.85	-51.45
CSC1=CC=C(O)C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020175784	0	35	-1.0	-46.12	310.47	4.92	-41.20
CSC1=CC=C(O)C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020175784	1	35	-1.0	-46.11	310.52	4.92	-41.19
CCCCC(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C(C)C	REAL300020175785	0	44	-1.0	-39.02	338.08	7.46	-31.56
CCCCC(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C(C)C	REAL300020175785	1	44	-1.0	-39.05	338.14	7.46	-31.59
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C(=O)NC1=C(F)C=CC=C1F	REAL300020175786	0	34	-1.0	-47.68	309.05	3.88	-43.80
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C(=O)NC1=C(F)C=CC=C1F	REAL300020175786	1	34	-1.0	-47.66	309.09	3.88	-43.78
CC1=CC(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C(C)N1C1=CC=CC=C1	REAL300020175787	0	47	-1.0	-42.94	392.64	10.17	-32.77
CC1=CC(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C(C)N1C1=CC=CC=C1	REAL300020175787	1	47	-1.0	-42.88	392.68	10.17	-32.71
CC1=CC=CC(N2C=NC3=CC(C(=O)NC4=CC=CC=C4C4=NN=N[N-]4)=CC=C32)=C1	REAL300020175788	0	46	-1.0	-44.25	389.52	10.78	-33.47
CC1=CC=CC(N2C=NC3=CC(C(=O)NC4=CC=CC=C4C4=N[N-]N=N4)=CC=C32)=C1	REAL300020175788	1	46	-1.0	-44.28	389.50	10.78	-33.50
CN1C(C(F)(F)F)=NC2=CN=CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=C21	REAL300020175789	0	38	-1.0	-38.47	336.26	4.92	-33.55
CN1C(C(F)(F)F)=NC2=CN=CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=C21	REAL300020175789	1	38	-1.0	-38.51	336.20	4.92	-33.59
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CCC2=CC(F)=CC=C21	REAL300020175790	0	37	-1.0	-39.55	309.76	7.46	-32.09
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CCC2=CC(F)=CC=C21	REAL300020175790	1	37	-1.0	-39.59	309.81	7.47	-32.12
CC1=CC=C([C@@H]2C[C@H]2C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1C	REAL300020175791	0	43	-1.0	-40.75	351.45	8.69	-32.06
CC1=CC=C([C@@H]2C[C@H]2C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1C	REAL300020175791	1	43	-1.0	-40.71	351.50	8.69	-32.02
CCOCCN1C=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=N1	REAL300020175792	0	40	-1.0	-42.29	343.64	4.11	-38.18
CCOCCN1C=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=N1	REAL300020175792	1	40	-1.0	-42.28	343.59	4.11	-38.17
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CCCC1CC1=CC=CC=C1	REAL300020175793	0	46	-1.0	-40.14	369.54	9.32	-30.82
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CCCC1CC1=CC=CC=C1	REAL300020175793	1	46	-1.0	-40.09	369.58	9.32	-30.77
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=NN1CCC1=CC=CC=C1	REAL300020175794	0	43	-1.0	-39.49	363.80	7.84	-31.65
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=NN1CCC1=CC=CC=C1	REAL300020175794	1	43	-1.0	-39.44	363.72	7.83	-31.61
CN1C=C(Cl)C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=N1	REAL300020175795	0	30	-1.0	-46.97	282.27	3.79	-43.18
CN1C=C(Cl)C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=N1	REAL300020175795	1	30	-1.0	-47.00	282.23	3.78	-43.22
CCOC1=CC=CC(C=CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020175796	0	41	-1.0	-41.03	346.33	6.86	-34.17
CCOC1=CC=CC(C=CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020175796	1	41	-1.0	-40.99	346.37	6.86	-34.13
COC1=CC=C(C=CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020175797	0	38	-1.0	-41.26	325.43	5.98	-35.28
COC1=CC=C(C=CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020175797	1	38	-1.0	-41.25	325.47	5.98	-35.27
O=C(CC1=CC=C(F)C(Cl)=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175798	0	33	-1.0	-38.83	307.71	6.69	-32.14
O=C(CC1=CC=C(F)C(Cl)=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175798	1	33	-1.0	-38.83	307.75	6.70	-32.13
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=C(Cl)SC=C1	REAL300020175799	0	27	-1.0	-39.70	266.52	5.00	-34.70
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=C(Cl)SC=C1	REAL300020175799	1	27	-1.0	-39.68	266.56	5.00	-34.68
O=C(CCOC1=CC=C(Cl)C(F)=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175800	0	37	-1.0	-38.42	338.58	6.35	-32.07
O=C(CCOC1=CC=C(Cl)C(F)=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175800	1	37	-1.0	-38.44	338.63	6.36	-32.08
CC(=CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CS1	REAL300020175801	0	34	-1.0	-39.90	304.59	6.53	-33.37
CC(=CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CS1	REAL300020175801	1	34	-1.0	-39.91	304.64	6.53	-33.38
CC1=NN(C2CCOCC2)C(C)=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175802	0	47	-1.0	-46.10	383.93	5.25	-40.85
CC1=NN(C2CCOCC2)C(C)=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175802	1	47	-1.0	-46.05	383.97	5.26	-40.79
CCC(NC1=CC=CN=C1Cl)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175803	0	40	-1.0	-39.28	337.78	4.27	-35.01
CCC(NC1=CC=CN=C1Cl)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175803	1	40	-1.0	-38.69	336.76	4.26	-34.43
CCOCCOCCCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175804	0	43	-1.0	-42.25	358.64	4.21	-38.04
CCOCCOCCCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175804	1	43	-1.0	-42.16	358.69	4.21	-37.95
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C(F)(F)N1C=C(C2=CC=CC=C2)N=N1	REAL300020175805	0	39	-1.0	-41.58	350.14	5.84	-35.74
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C(F)(F)N1C=C(C2=CC=CC=C2)N=N1	REAL300020175805	1	39	-1.0	-41.58	350.19	5.84	-35.74
COC1=CC=CC(C(OC)C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020175806	0	41	-1.0	-42.70	346.97	5.47	-37.23
COC1=CC=CC(C(OC)C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020175806	1	41	-1.0	-42.69	347.02	5.47	-37.22
COCCOCCOCCCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175807	0	47	-1.0	-44.14	392.27	3.57	-40.57
COCCOCCOCCCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175807	1	47	-1.0	-44.10	392.31	3.58	-40.52
COC1=CC2=CC=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C2C=C1OC	REAL300020175808	0	44	-1.0	-43.21	365.94	6.98	-36.23
COC1=CC2=CC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=C2C=C1OC	REAL300020175808	1	44	-1.0	-43.20	365.98	6.99	-36.21
CSC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C(C)O1	REAL300020175809	0	34	-1.0	-42.20	307.59	5.47	-36.73
CSC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C(C)O1	REAL300020175809	1	34	-1.0	-42.14	307.64	5.47	-36.67
O=C(CC1(N2C=NN=N2)CCOCC1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175810	0	42	-1.0	-44.50	335.24	4.25	-40.25
O=C(CC1(N2C=NN=N2)CCOCC1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175810	1	42	-1.0	-44.50	335.15	4.24	-40.26
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=N1	REAL300020175811	0	43	-2.0	-116.07	370.04	6.41	-109.66
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=N1	REAL300020175811	1	43	-2.0	-116.07	370.09	6.42	-109.65
CC(=O)NC1=CNC(=O)C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020175812	0	37	-1.0	-63.73	320.52	1.69	-62.04
CC(=O)NC1=CNC(=O)C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020175812	1	37	-1.0	-63.70	320.59	1.70	-62.00
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300020175813	0	36	-2.0	-91.80	317.46	5.24	-86.56
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300020175813	1	36	-2.0	-91.83	317.41	5.22	-86.61
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300020175813	1	36	-2.0	-91.64	317.56	5.24	-86.40
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300020175813	1	36	-2.0	-91.73	317.51	5.23	-86.50
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020175814	0	33	-2.0	-86.10	303.73	2.11	-83.99
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020175814	1	33	-2.0	-86.10	303.77	2.11	-83.99
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020175814	1	33	-2.0	-86.16	303.66	2.09	-84.07
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020175814	1	33	-2.0	-86.11	303.70	2.10	-84.01
O=C(COCC1=NC(C2=CC=CC=C2)=NO1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175815	0	42	-1.0	-46.22	371.55	5.11	-41.11
O=C(COCC1=NC(C2=CC=CC=C2)=NO1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175815	1	42	-1.0	-46.22	371.50	5.09	-41.13
O=C(CNC(=O)C1=CN=C(Cl)C(Cl)=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175816	0	36	-1.0	-38.76	347.56	3.10	-35.66
O=C(CNC(=O)C1=CN=C(Cl)C(Cl)=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175816	1	36	-1.0	-38.83	347.52	3.09	-35.74
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NNC=C1C(F)(F)F	REAL300020175817	0	30	-1.0	-46.26	280.64	2.98	-43.28
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NNC=C1C(F)(F)F	REAL300020175817	1	30	-1.0	-46.27	280.68	2.98	-43.29
O=C(CC1=CC(C2CC2)=NO1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175818	0	36	-1.0	-39.97	312.18	5.81	-34.16
O=C(CC1=CC(C2CC2)=NO1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175818	1	36	-1.0	-39.96	312.23	5.81	-34.15
O=C(CCCN1C(=O)[N-]NC1=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175819	0	36	-2.0	-86.63	320.15	0.66	-85.97
O=C(CCCN1C(=O)[N-]NC1=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175819	1	36	-2.0	-86.62	320.19	0.67	-85.95
CN1C=CC(NC2=CC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=C2)=N1	REAL300020175820	0	42	-1.0	-44.91	354.19	6.48	-38.43
CN1C=CC(NC2=CC=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C2)=N1	REAL300020175820	1	42	-1.0	-44.89	354.15	6.49	-38.40
CC1=NOC(C2(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)CC2)=C1	REAL300020175821	0	36	-1.0	-39.32	309.37	5.97	-33.35
CC1=NOC(C2(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)CC2)=C1	REAL300020175821	1	36	-1.0	-39.25	309.42	5.97	-33.28
O=C(CC1CCN(CC(F)(F)F)CC1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175822	0	44	-1.0	-40.16	351.04	4.61	-35.55
O=C(CC1CCN(CC(F)(F)F)CC1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175822	1	44	-1.0	-40.18	351.09	4.62	-35.56
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CCCC2CCC[N@@H+]21	REAL300020175823	0	43	0.0	-45.23	317.58	6.44	-38.79
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CCCC2CCC[N@H+]21	REAL300020175823	1	43	0.0	-46.86	318.13	6.46	-40.40
CC1CN(C)CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)O1	REAL300020175824	0	39	-1.0	-39.83	317.70	2.57	-37.26
CC1CN(C)CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)O1	REAL300020175824	1	39	-1.0	-39.80	317.75	2.57	-37.23
CC1C[N@H+](C)CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)O1	REAL300020175824	1	40	0.0	-49.68	312.20	4.93	-44.75
CC1C[N@@H+](C)CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)O1	REAL300020175824	1	40	0.0	-54.60	312.90	4.92	-49.68
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C(O)C(O)(C1=CC=CC=C1)C(F)(F)F	REAL300020175825	0	41	-1.0	-43.79	344.48	3.35	-40.44
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C(O)C(O)(C1=CC=CC=C1)C(F)(F)F	REAL300020175825	1	41	-1.0	-43.78	344.50	3.35	-40.43
CN1C=NC2=CN=CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=C21	REAL300020175826	0	35	-1.0	-43.68	294.64	4.99	-38.69
CN1C=NC2=CN=CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=C21	REAL300020175826	1	35	-1.0	-43.62	294.56	4.99	-38.63
C[N@@H+]1CCCC1CCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175827	0	42	0.0	-49.85	329.14	6.40	-43.45
C[N@H+]1CCCC1CCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175827	1	42	0.0	-54.92	323.71	5.93	-48.99
C[N@@H+]1CCCC1CCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175827	1	42	0.0	-49.88	329.09	6.40	-43.48
C[N@H+]1CCCC1CCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175827	1	42	0.0	-54.89	323.66	5.93	-48.96
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(I)=NN1	REAL300020175828	0	30	-1.0	-42.61	293.93	3.28	-39.33
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(I)=NN1	REAL300020175828	1	30	-1.0	-42.62	293.98	3.28	-39.34
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(NN2C=CN=C2)C=C1	REAL300020175829	0	39	-1.0	-42.62	332.58	6.61	-36.01
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(NN2C=CN=C2)C=C1	REAL300020175829	1	39	-1.0	-42.59	332.62	6.61	-35.98
O=C(CCC1=NN=C(C2CC2)O1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175830	0	38	-1.0	-41.71	331.03	1.53	-40.18
O=C(CCC1=NN=C(C2CC2)O1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175830	1	38	-1.0	-41.74	331.07	1.54	-40.20
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN(CCO)N=C1C1CCOCC1	REAL300020175831	0	48	-1.0	-40.66	391.63	2.13	-38.53
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN(CCO)N=C1C1CCOCC1	REAL300020175831	1	48	-1.0	-40.65	391.67	2.15	-38.50
CC(=O)NC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC=N1	REAL300020175832	0	36	-1.0	-46.03	313.28	4.04	-41.99
CC(=O)NC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=N1	REAL300020175832	1	36	-1.0	-46.09	314.24	4.06	-42.03
CC1=C(NCC(C)(C)C)C=CC=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175833	0	50	-1.0	-41.01	386.39	8.03	-32.98
CC1=C(NCC(C)(C)C)C=CC=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175833	1	50	-1.0	-40.85	387.40	8.07	-32.78
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC(CN2C=NC=N2)=C1	REAL300020175834	0	39	-1.0	-48.97	340.09	8.56	-40.41
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC(CN2C=NC=N2)=C1	REAL300020175834	1	39	-1.0	-48.99	340.04	8.56	-40.43
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NC=C2C(F)=CC=CN21	REAL300020175835	0	33	-1.0	-48.56	295.32	6.06	-42.50
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NC=C2C(F)=CC=CN21	REAL300020175835	1	33	-1.0	-48.57	295.27	6.06	-42.51
O=C(CC1=CNC2=CC=C(Br)C=C12)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175836	0	37	-1.0	-41.52	338.41	6.80	-34.72
O=C(CC1=CNC2=CC=C(Br)C=C12)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175836	1	37	-1.0	-41.52	338.45	6.81	-34.71
O=C(C=CC=C(Cl)Cl)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175837	0	28	-1.0	-38.00	282.83	5.42	-32.58
O=C(C=CC=C(Cl)Cl)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175837	1	28	-1.0	-37.93	282.88	5.42	-32.51
CN1CCCCC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1=O	REAL300020175838	0	40	-1.0	-38.44	302.39	4.98	-33.46
CN1CCCCC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1=O	REAL300020175838	1	40	-1.0	-38.42	302.44	4.98	-33.44
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)[C@@H]1CSC(C2=CC=CC=C2)=N1	REAL300020175839	0	38	-1.0	-42.83	337.80	5.38	-37.45
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)[C@@H]1CSC(C2=CC=CC=C2)=N1	REAL300020175839	1	38	-1.0	-42.80	337.84	5.38	-37.42
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=C(CCCC2O)NC1=O	REAL300020175840	0	41	-1.0	-56.87	333.06	1.97	-54.90
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=C(CCCC2O)NC1=O	REAL300020175840	1	41	-1.0	-56.85	333.06	1.97	-54.88
NC1=C2N=CN(CCC(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C2=NC=N1	REAL300020175841	0	39	-1.0	-43.03	339.66	5.53	-37.50
NC1=C2N=CN(CCC(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C2=NC=N1	REAL300020175841	1	39	-1.0	-43.04	339.61	5.51	-37.53
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=CC(O)=C(O)C=C2S1	REAL300020175842	0	35	-1.0	-44.75	322.33	1.98	-42.77
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=CC(O)=C(O)C=C2S1	REAL300020175842	1	35	-1.0	-44.75	322.37	1.98	-42.77
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CNN=C1I	REAL300020175843	0	27	-1.0	-37.84	268.34	2.81	-35.03
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CNN=C1I	REAL300020175843	1	27	-1.0	-37.83	268.38	2.82	-35.01
C[N@H+](CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)CC(C)(C)C	REAL300020175844	0	44	0.0	-47.24	327.26	6.26	-40.98
C[N@@H+](CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)CC(C)(C)C	REAL300020175844	1	44	0.0	-45.96	330.77	6.46	-39.50
CN(CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)CC(C)(C)C	REAL300020175844	1	43	-1.0	-38.27	334.75	4.90	-33.37
CN(CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)CC(C)(C)C	REAL300020175844	1	43	-1.0	-38.18	334.80	4.92	-33.26
O=C(CC=CCC1=CC=CC=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175845	0	40	-1.0	-39.94	341.72	8.37	-31.57
O=C(CC=CCC1=CC=CC=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175845	1	40	-1.0	-39.89	341.76	8.37	-31.52
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NC(C2=CN=CC=N2)=NO1	REAL300020175846	0	33	-1.0	-43.29	306.45	0.28	-43.01
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NC(C2=CN=CC=N2)=NO1	REAL300020175846	1	33	-1.0	-43.19	306.50	0.29	-42.90
CN1CCOC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1=O	REAL300020175847	0	35	-1.0	-48.61	294.17	2.65	-45.96
CN1CCOC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1=O	REAL300020175847	1	35	-1.0	-48.64	294.21	2.67	-45.97
CN1CCN(C(=O)OC(C)(C)C)CC1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175848	0	52	-1.0	-44.08	402.35	3.93	-40.15
CN1CCN(C(=O)OC(C)(C)C)CC1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175848	1	52	-1.0	-44.05	402.40	3.92	-40.13
C#CCN(CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL300020175849	0	45	-1.0	-41.90	379.12	6.77	-35.13
C#CCN(CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL300020175849	1	45	-1.0	-41.89	379.16	6.77	-35.12
O=C(CC1CCCS1(=O)=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175850	0	36	-1.0	-54.19	307.15	2.00	-52.19
O=C(CC1CCCS1(=O)=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175850	1	36	-1.0	-54.09	307.19	2.02	-52.07
CC1=CC=C(C(=O)C=CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020175851	0	39	-1.0	-42.84	339.93	7.24	-35.60
CC1=CC=C(C(=O)C=CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020175851	1	39	-1.0	-42.85	339.98	7.25	-35.60
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C2NC=NC2=C1F	REAL300020175852	0	33	-1.0	-48.67	291.68	5.19	-43.48
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C2NC=NC2=C1F	REAL300020175852	1	33	-1.0	-48.67	291.72	5.20	-43.47
NC1=NN=NN1C1=CC=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020175853	0	37	-1.0	-45.36	322.60	5.39	-39.97
NC1=NN=NN1C1=CC=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020175853	1	37	-1.0	-44.77	321.54	5.36	-39.41
CCN1C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CN=C1Br	REAL300020175854	0	33	-1.0	-33.25	286.33	5.52	-27.73
CCN1C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CN=C1Br	REAL300020175854	1	33	-1.0	-33.24	286.29	5.50	-27.74
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(C(F)(F)F)=CNC1=O	REAL300020175855	0	33	-1.0	-53.25	301.81	3.72	-49.53
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(C(F)(F)F)=CNC1=O	REAL300020175855	1	33	-1.0	-53.20	301.92	3.72	-49.48
O=C(NC(CO)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)OCC1=CC=CC=C1	REAL300020175856	0	45	-1.0	-42.23	387.65	1.84	-40.39
O=C(NC(CO)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)OCC1=CC=CC=C1	REAL300020175856	1	45	-1.0	-42.15	387.70	1.84	-40.31
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CN2N=NN=C12	REAL300020175857	0	31	-1.0	-57.76	276.74	4.00	-53.76
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CN2N=NN=C12	REAL300020175857	1	31	-1.0	-57.77	276.71	4.00	-53.77
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(F)=CNC1=O	REAL300020175858	0	30	-1.0	-53.76	269.22	2.80	-50.96
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(F)=CNC1=O	REAL300020175858	1	30	-1.0	-53.75	269.32	2.80	-50.95
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN2C=CN=C2C(Br)=C1	REAL300020175859	0	33	-1.0	-42.26	309.18	6.61	-35.65
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN2C=CN=C2C(Br)=C1	REAL300020175859	1	33	-1.0	-42.28	309.14	6.61	-35.67
CC(C)(C)OC(=O)N1CC2(C1)CC(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)=NO2	REAL300020175860	0	49	-1.0	-50.33	404.45	4.21	-46.12
CC(C)(C)OC(=O)N1CC2(C1)CC(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)=NO2	REAL300020175860	1	49	-1.0	-50.32	404.50	4.21	-46.11
CN1N=C(I)C=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175861	0	30	-1.0	-35.60	284.62	4.38	-31.22
CN1N=C(I)C=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175861	1	30	-1.0	-35.57	284.55	4.38	-31.19
CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CC1	REAL300020175862	0	53	-1.0	-41.84	412.74	5.53	-36.31
CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CC1	REAL300020175862	1	53	-1.0	-41.76	412.79	5.52	-36.24
CC(=CC1=CC=C(Br)O1)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175863	0	34	-1.0	-41.51	312.60	6.41	-35.10
CC(=CC1=CC=C(Br)O1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175863	1	34	-1.0	-41.52	312.66	6.41	-35.11
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC(OC2=CC=C(Cl)C=N2)=C1	REAL300020175864	0	40	-1.0	-42.50	364.81	6.36	-36.14
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC(OC2=CC=C(Cl)C=N2)=C1	REAL300020175864	1	40	-1.0	-42.52	364.76	6.35	-36.17
O=CC1=CC=C(F)C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020175865	0	32	-1.0	-53.46	289.28	5.29	-48.17
O=CC1=CC=C(F)C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020175865	1	32	-1.0	-53.46	289.32	5.29	-48.17
O=CC1=CC=C(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020175866	0	35	-1.0	-41.84	309.41	5.88	-35.96
O=CC1=CC=C(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020175866	1	35	-1.0	-41.80	309.46	5.89	-35.91
O=CC1=CNC2=CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CC=C12	REAL300020175867	0	36	-1.0	-44.01	316.53	5.26	-38.75
O=CC1=CNC2=CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=CC=C12	REAL300020175867	1	36	-1.0	-43.95	316.57	5.27	-38.68
CC1=CC(C=O)=C(C)N1C1=CC=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020175868	0	46	-1.0	-44.23	392.26	9.22	-35.01
CC1=CC(C=O)=C(C)N1C1=CC=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020175868	1	46	-1.0	-44.25	392.31	9.21	-35.04
O=CC1=CC(Br)=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020175869	0	32	-1.0	-44.11	306.03	5.82	-38.29
O=CC1=CC(Br)=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020175869	1	32	-1.0	-44.12	306.08	5.82	-38.30
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN([C@@H]2CC[C@H]2O)N=N1	REAL300020175870	0	37	-1.0	-50.97	318.54	0.34	-50.63
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN([C@@H]2CC[C@H]2O)N=N1	REAL300020175870	1	37	-1.0	-51.02	318.50	0.34	-50.68
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN=C2SC=CC2=C1	REAL300020175871	0	32	-1.0	-42.52	293.49	4.95	-37.57
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN=C2SC=CC2=C1	REAL300020175871	1	32	-1.0	-42.57	293.45	4.95	-37.62
O=C(CC(F)(F)C(F)(F)F)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175872	0	29	-1.0	-37.30	276.06	4.47	-32.83
O=C(CC(F)(F)C(F)(F)F)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175872	1	29	-1.0	-37.27	276.10	4.48	-32.79
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=C(Cl)N=CC=C2O1	REAL300020175873	0	32	-1.0	-40.85	303.41	4.53	-36.32
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=C(Cl)N=CC=C2O1	REAL300020175873	1	32	-1.0	-40.86	303.37	4.53	-36.33
O=C(CCNC(=O)C1=CC2=CC=CC=C2N1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175874	0	44	-1.0	-44.67	376.35	4.54	-40.13
O=C(CCNC(=O)C1=CC2=CC=CC=C2N1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175874	1	44	-1.0	-44.68	376.40	4.55	-40.13
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=COC(C(F)(F)F)=N1	REAL300020175875	0	29	-1.0	-43.02	282.11	1.24	-41.78
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=COC(C(F)(F)F)=N1	REAL300020175875	1	29	-1.0	-43.00	282.06	1.23	-41.77
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NN2C=C(Br)C=NC2=C1	REAL300020175876	0	32	-1.0	-44.06	308.00	4.84	-39.22
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NN2C=C(Br)C=NC2=C1	REAL300020175876	1	32	-1.0	-44.11	307.95	4.84	-39.27
COC1=CC=C(C=O)C=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175877	0	36	-1.0	-56.05	311.95	5.67	-50.38
COC1=CC=C(C=O)C=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175877	1	36	-1.0	-56.03	312.00	5.67	-50.36
O=CC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=C1F	REAL300020175878	0	32	-1.0	-40.55	289.27	5.29	-35.26
O=CC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC=C1F	REAL300020175878	1	32	-1.0	-40.55	289.31	5.29	-35.26
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CSN=C1Cl	REAL300020175879	0	26	-1.0	-36.43	260.72	3.55	-32.88
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CSN=C1Cl	REAL300020175879	1	26	-1.0	-36.43	260.67	3.55	-32.88
CS(=O)(=O)N1CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020175880	0	35	-1.0	-43.48	311.36	0.43	-43.05
CS(=O)(=O)N1CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020175880	1	35	-1.0	-43.46	311.40	0.43	-43.03
CC1(C2=CC=CC(Br)=C2)CC1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175881	0	40	-1.0	-38.07	352.43	8.61	-29.46
CC1(C2=CC=CC(Br)=C2)CC1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175881	1	40	-1.0	-38.05	352.48	8.61	-29.44
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(OCC2=CC=CC=C2)C=N1	REAL300020175882	0	43	-1.0	-45.00	369.03	7.00	-38.00
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(OCC2=CC=CC=C2)C=N1	REAL300020175882	1	43	-1.0	-44.94	368.99	7.00	-37.94
CC1=NC(OC(C)C(F)(F)F)=CC=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175883	0	42	-1.0	-37.50	363.97	5.07	-32.43
CC1=NC(OC(C)C(F)(F)F)=CC=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175883	1	42	-1.0	-37.58	364.23	5.09	-32.49
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CSC=C1Cl	REAL300020175884	0	27	-1.0	-39.77	266.55	4.93	-34.84
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CSC=C1Cl	REAL300020175884	1	27	-1.0	-39.74	266.60	4.93	-34.81
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)[C@@H]1C[C@H]1C1CCOCC1	REAL300020175885	0	41	-1.0	-39.55	330.20	5.41	-34.14
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)[C@@H]1C[C@H]1C1CCOCC1	REAL300020175885	1	41	-1.0	-39.55	330.24	5.41	-34.14
CC1=NC(C2=CC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)S2)=CS1	REAL300020175886	0	36	-1.0	-42.22	341.52	6.03	-36.19
CC1=NC(C2=CC=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)S2)=CS1	REAL300020175886	1	36	-1.0	-42.22	341.48	6.03	-36.19
O=C(CC1=CC=CC=C1OCC1=CC=NC=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175887	0	46	-1.0	-45.89	390.08	7.70	-38.19
O=C(CC1=CC=CC=C1OCC1=CC=NC=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175887	1	46	-1.0	-45.92	390.12	7.70	-38.22
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)[C@@H]1CC[C@H](CC2=CC=CC=C2)O1	REAL300020175888	0	44	-1.0	-42.63	364.20	8.18	-34.45
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)[C@@H]1CC[C@H](CC2=CC=CC=C2)O1	REAL300020175888	1	44	-1.0	-42.59	364.25	8.18	-34.41
CCC(CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C(C)(C)C	REAL300020175889	0	44	-1.0	-38.44	325.84	6.46	-31.98
CCC(CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C(C)(C)C	REAL300020175889	1	44	-1.0	-38.40	325.90	6.46	-31.94
CCC1=CC=C(F)C=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175890	0	36	-1.0	-42.84	302.36	6.93	-35.91
CCC1=CC=C(F)C=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175890	1	36	-1.0	-42.74	302.40	6.94	-35.80
O=C(C[C@@H]1NC(=O)C2=CC=CC=C2NC1=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175891	0	42	-1.0	-43.80	352.39	2.10	-41.70
O=C(C[C@@H]1NC(=O)C2=CC=CC=C2NC1=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175891	1	42	-1.0	-43.06	351.42	2.08	-40.98
COCC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=CS1	REAL300020175892	0	34	-1.0	-42.53	303.38	4.24	-38.29
COCC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=CS1	REAL300020175892	1	34	-1.0	-42.50	303.42	4.24	-38.26
CN1C=CC2=CC=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C21	REAL300020175893	0	37	-1.0	-44.99	315.19	7.22	-37.77
CN1C=CC2=CC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=C21	REAL300020175893	1	37	-1.0	-44.96	315.23	7.22	-37.74
COC(=O)C1=NN(C)C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020175894	0	36	-1.0	-37.18	313.09	4.02	-33.16
COC(=O)C1=NN(C)C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020175894	1	36	-1.0	-37.18	313.02	4.02	-33.16
COC(=O)[C@@H]1O[C@@H](C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C[C@H]1C	REAL300020175895	0	40	-1.0	-45.44	338.60	5.55	-39.89
COC(=O)[C@@H]1O[C@@H](C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C[C@H]1C	REAL300020175895	1	40	-1.0	-45.48	338.64	5.56	-39.92
CC(C)C1=CC=CC=C1NC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020175896	0	51	-1.0	-42.81	410.57	9.71	-33.10
CC(C)C1=CC=CC=C1NC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020175896	1	51	-1.0	-42.80	410.62	9.71	-33.09
COC1=CC=CC=C1NC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020175897	0	46	-1.0	-42.06	379.73	7.20	-34.86
COC1=CC=CC=C1NC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020175897	1	46	-1.0	-42.04	379.79	7.21	-34.83
O=C(C=CC1=CC=C(Cl)S1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175898	0	31	-1.0	-40.19	303.26	6.39	-33.80
O=C(C=CC1=CC=C(Cl)S1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175898	1	31	-1.0	-40.20	303.31	6.39	-33.81
O=C(C=CC1=CC=CC=C1OC(F)(F)F)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175899	0	38	-1.0	-40.77	340.87	6.53	-34.24
O=C(C=CC1=CC=CC=C1OC(F)(F)F)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175899	1	38	-1.0	-40.75	340.91	6.53	-34.22
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NN(C2CCOCC2)C=C1	REAL300020175900	0	41	-1.0	-46.64	338.55	4.07	-42.57
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NN(C2CCOCC2)C=C1	REAL300020175900	1	41	-1.0	-46.85	339.52	4.10	-42.75
CC1(C)[C@@]2(C)CC[C@]1(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)OC2=O	REAL300020175901	0	43	-1.0	-50.36	338.56	6.00	-44.36
CC1(C)[C@@]2(C)CC[C@]1(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)OC2=O	REAL300020175901	1	43	-1.0	-50.35	338.61	6.01	-44.34
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1C2CC3=C(Br)C=CC=C3C21	REAL300020175902	0	38	-1.0	-39.57	340.95	8.61	-30.96
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1C2CC3=C(Br)C=CC=C3C21	REAL300020175902	1	38	-1.0	-39.48	341.00	8.62	-30.86
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C(C2=CC=CC=C2)O1	REAL300020175903	0	40	-1.0	-42.67	342.53	8.01	-34.66
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C(C2=CC=CC=C2)O1	REAL300020175903	1	40	-1.0	-42.62	342.58	8.01	-34.61
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CNC(=O)C2=CC=CC=C21	REAL300020175904	0	38	-1.0	-42.04	320.91	3.81	-38.23
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CNC(=O)C2=CC=CC=C21	REAL300020175904	1	38	-1.0	-41.98	320.95	3.81	-38.17
O=C(CC1CCC(F)(F)CC1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175905	0	39	-1.0	-39.08	317.09	6.56	-32.52
O=C(CC1CCC(F)(F)CC1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175905	1	39	-1.0	-39.12	317.14	6.57	-32.55
CC1=CN(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)N=C1C(F)(F)F	REAL300020175906	0	36	-1.0	-41.93	326.97	5.17	-36.76
CC1=CN(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)N=C1C(F)(F)F	REAL300020175906	1	36	-1.0	-41.94	326.93	5.16	-36.78
CC1=CC=CC([C@@H]2C[C@H]2C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020175907	0	40	-1.0	-40.48	334.45	8.15	-32.33
CC1=CC=CC([C@@H]2C[C@H]2C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020175907	1	40	-1.0	-40.44	334.50	8.15	-32.29
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(C(F)F)O1	REAL300020175908	0	30	-1.0	-44.41	280.36	4.58	-39.83
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(C(F)F)O1	REAL300020175908	1	30	-1.0	-44.36	280.41	4.58	-39.78
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=C(C(F)F)N=CO1	REAL300020175909	0	29	-1.0	-42.65	267.23	1.07	-41.58
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=C(C(F)F)N=CO1	REAL300020175909	1	29	-1.0	-42.62	267.28	1.07	-41.55
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC(C#CCO)=C1	REAL300020175910	0	36	-1.0	-43.92	321.96	4.29	-39.63
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC(C#CCO)=C1	REAL300020175910	1	36	-1.0	-43.74	322.01	4.29	-39.45
CC(C)(C)OC(=O)N[C@H](CO)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175911	0	44	-1.0	-40.85	360.25	-0.15	-41.00
CC(C)(C)OC(=O)N[C@H](CO)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175911	1	44	-1.0	-40.83	360.30	-0.13	-40.96
CC1=C(C=O)C(C)=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)N1	REAL300020175912	0	36	-1.0	-43.46	307.44	4.26	-39.20
CC1=C(C=O)C(C)=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)N1	REAL300020175912	1	36	-1.0	-43.49	306.47	4.23	-39.26
O=C(CN1CCNC(=O)C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175913	0	36	-1.0	-43.63	297.31	-0.47	-44.10
O=C(CN1CCNC(=O)C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175913	1	36	-1.0	-43.68	297.35	-0.46	-44.14
COC1=CC(CO)=CC=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175914	0	38	-1.0	-46.24	321.63	3.25	-42.99
COC1=CC(CO)=CC=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175914	1	38	-1.0	-46.24	321.67	3.24	-43.00
O=C(CC1CCN(CC(F)F)CC1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020175915	0	44	-1.0	-41.33	342.96	4.50	-36.83
O=C(CC1CCN(CC(F)F)CC1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020175915	1	44	-1.0	-41.28	343.00	4.51	-36.77
COC1=CC(OC)=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1C=O	REAL300020175916	0	40	-1.0	-44.57	339.11	6.30	-38.27
COC1=CC(OC)=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1C=O	REAL300020175916	1	40	-1.0	-44.53	339.16	6.30	-38.23
NC1=C2N=CN(CCCC(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C2=NC=N1	REAL300020175917	0	42	-1.0	-47.93	361.16	6.33	-41.60
NC1=C2N=CN(CCCC(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C2=NC=N1	REAL300020175917	1	42	-1.0	-47.96	361.11	6.32	-41.64
NC1=C2N=CN(CCCCC(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C2=NC=N1	REAL300020175918	0	45	-1.0	-45.35	382.66	7.11	-38.24
NC1=C2N=CN(CCCCC(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C2=NC=N1	REAL300020175918	1	45	-1.0	-45.39	382.61	7.10	-38.29
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CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(Cl)=NN1	REAL300020175920	0	30	-1.0	-44.08	282.94	2.80	-41.28
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CN(C(=O)OC(C)(C)C)C1CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020175922	0	50	-1.0	-41.03	392.44	6.30	-34.73
CN(C(=O)OC(C)(C)C)C1CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020175922	1	50	-1.0	-40.97	392.48	6.31	-34.66
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CS(C)(=O)=NC1=CC=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020175924	0	40	-1.0	-58.26	342.03	3.80	-54.46
CS(C)(=O)=NC1=CC=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020175924	1	40	-1.0	-58.17	342.08	3.81	-54.36
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CC1CCC2=NC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=CN2C1	REAL300020175925	1	40	-1.0	-50.06	329.74	6.23	-43.83
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CC1=NC=C(C=CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)S1	REAL300020175927	0	33	-1.0	-41.23	303.28	4.66	-36.57
CC1=NC=C(C=CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)S1	REAL300020175927	1	33	-1.0	-41.23	303.32	4.66	-36.57
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN=CC(N2CCCC2=O)=C1	REAL300020175928	0	40	-1.0	-50.54	334.18	4.81	-45.73
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN=CC(N2CCCC2=O)=C1	REAL300020175928	1	40	-1.0	-50.56	334.13	4.80	-45.76
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=NC2=CC=NN21	REAL300020175929	0	32	-1.0	-47.51	280.54	4.83	-42.68
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=NC2=CC=NN21	REAL300020175929	1	32	-1.0	-47.56	280.50	4.84	-42.72
NC(=O)C1=CC=C(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=N1	REAL300020175930	0	36	-1.0	-41.34	316.98	1.19	-40.15
NC(=O)C1=CC=C(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=N1	REAL300020175930	1	36	-1.0	-41.36	316.93	1.19	-40.17
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NC=CN=C1Cl	REAL300020175931	0	28	-1.0	-43.90	265.23	2.34	-41.56
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NC=CN=C1Cl	REAL300020175931	1	28	-1.0	-43.91	265.19	2.32	-41.59
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NC2=CC=NN2C=C1	REAL300020175932	0	32	-1.0	-45.90	286.15	4.45	-41.45
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NC2=CC=NN2C=C1	REAL300020175932	1	32	-1.0	-45.92	286.11	4.46	-41.46
CC1=C(C)C(=O)N(CCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1=O	REAL300020175933	0	40	-1.0	-44.61	349.03	4.78	-39.83
CC1=C(C)C(=O)N(CCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1=O	REAL300020175933	1	40	-1.0	-44.55	349.07	4.79	-39.76
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CC2CSCC(C1)C2=O	REAL300020175934	0	40	-1.0	-39.64	320.10	6.00	-33.64
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CC2CSCC(C1)C2=O	REAL300020175934	1	40	-1.0	-39.66	320.15	6.01	-33.65
CCOC(=O)C1CCCN(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020175935	0	47	-1.0	-40.96	377.13	5.09	-35.87
CCOC(=O)C1CCCN(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020175935	1	47	-1.0	-40.87	377.17	5.09	-35.78
CCOC(=O)C1CCC[N@H+](CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020175935	1	48	0.0	-51.74	372.94	7.41	-44.33
CCOC(=O)C1CCC[N@@H+](CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020175935	1	48	0.0	-49.34	372.57	6.84	-42.50
CCC(C)C(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)N1C=CC=C1C=O	REAL300020175936	0	45	-1.0	-38.60	363.25	7.86	-30.74
CCC(C)C(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)N1C=CC=C1C=O	REAL300020175936	1	45	-1.0	-38.69	363.37	7.86	-30.83
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CCC([NH+]2CCOCC2)CC1	REAL300020175937	0	50	0.0	-57.83	372.26	6.15	-51.68
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CCC(N2CCOCC2)CC1	REAL300020175937	1	49	-1.0	-39.12	363.97	3.77	-35.35
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CCC(N2CCOCC2)CC1	REAL300020175937	1	49	-1.0	-39.14	364.01	3.78	-35.36
O=CC1=CC=C(C=CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020175938	0	36	-1.0	-42.49	319.16	6.40	-36.09
O=CC1=CC=C(C=CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020175938	1	36	-1.0	-42.48	319.21	6.40	-36.08
O=CC1=CC(F)=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1F	REAL300020175939	0	32	-1.0	-47.58	293.79	5.35	-42.23
O=CC1=CC(F)=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1F	REAL300020175939	1	32	-1.0	-47.55	293.83	5.36	-42.19
CN1CCOC2=CC=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C21	REAL300020175940	0	40	-1.0	-41.82	327.37	4.08	-37.74
CN1CCOC2=CC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=C21	REAL300020175940	1	40	-1.0	-41.82	327.41	4.09	-37.73
CC1CCN2C=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)N=C2C1	REAL300020175941	0	40	-1.0	-50.68	328.67	6.22	-44.46
CC1CCN2C=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)N=C2C1	REAL300020175941	1	40	-1.0	-50.68	328.71	6.23	-44.45
CN1CC[N@H+](C)CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020175942	0	44	0.0	-51.52	333.44	4.04	-47.48
CN1CC[N@@H+](C)CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020175942	1	44	0.0	-53.40	331.51	3.63	-49.77
CN1CC[N@H+](C)CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020175942	1	44	0.0	-51.43	333.39	4.04	-47.39
CN1CC[N@@H+](C)CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020175942	1	44	0.0	-53.37	331.46	3.63	-49.74
CC1=NC(C2CCOCC2)=NC=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177529	0	45	-1.0	-39.76	363.42	4.84	-34.92
CC1=NC(C2CCOCC2)=NC=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177529	1	45	-1.0	-39.75	363.47	4.84	-34.91
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)[C@@H]1CO[C@@H]2CCCC[C@@H]21	REAL300020177530	0	41	-1.0	-38.56	317.11	4.83	-33.73
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)[C@@H]1CO[C@@H]2CCCC[C@@H]21	REAL300020177530	1	41	-1.0	-38.56	317.15	4.83	-33.73
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CC2CC1C1C2C1(F)F	REAL300020177531	0	38	-1.0	-39.67	306.27	6.62	-33.05
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CC2CC1C1C2C1(F)F	REAL300020177531	1	38	-1.0	-37.60	305.34	6.60	-31.00
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1C2CC1(C1=CN=CS1)CC2	REAL300020177532	0	40	-1.0	-40.44	331.85	6.33	-34.11
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1C2CC1(C1=CN=CS1)CC2	REAL300020177532	1	40	-1.0	-40.49	331.80	6.33	-34.16
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CCC2(CC1)COCCO2	REAL300020177533	0	45	-1.0	-39.25	340.90	4.43	-34.82
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CCC2(CC1)COCCO2	REAL300020177533	1	45	-1.0	-39.23	340.94	4.44	-34.79
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=NC2=NC=CN=C12	REAL300020177534	0	33	-1.0	-46.18	290.92	3.39	-42.79
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=NC2=NC=CN=C12	REAL300020177534	1	33	-1.0	-46.13	290.88	3.40	-42.73
O=C(C=CC1=CC=C([N+](=O)[O-])S1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177535	0	33	-1.0	-42.66	316.09	6.60	-36.06
O=C(C=CC1=CC=C([N+](=O)[O-])S1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177535	1	33	-1.0	-42.59	316.14	6.60	-35.99
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)[C@@H]1[C@H]2C[C@]1(C1=CC=CS1)CC2	REAL300020177536	0	41	-1.0	-43.00	337.91	8.24	-34.76
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)[C@@H]1[C@H]2C[C@]1(C1=CC=CS1)CC2	REAL300020177536	1	41	-1.0	-42.98	337.94	8.24	-34.74
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NN2CCNS(=O)(=O)C2=C1	REAL300020177537	0	36	-1.0	-52.11	321.85	-1.44	-53.55
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NN2CCNS(=O)(=O)C2=C1	REAL300020177537	1	36	-1.0	-52.07	321.80	-1.44	-53.51
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F	REAL300020177538	0	37	-1.0	-38.56	303.15	6.43	-32.13
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F	REAL300020177538	1	37	-1.0	-38.53	303.20	6.43	-32.10
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=C(CCCNC2=O)O1	REAL300020177539	0	38	-1.0	-44.93	322.23	2.79	-42.14
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=C(CCCNC2=O)O1	REAL300020177539	1	38	-1.0	-44.97	322.27	2.79	-42.18
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NNC2=CC=C(F)C=C21	REAL300020177540	0	33	-1.0	-45.74	295.84	4.18	-41.56
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NNC2=CC=C(F)C=C21	REAL300020177540	1	33	-1.0	-45.71	295.89	4.18	-41.53
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C(O)C1=CC(F)=C(F)C=C1F	REAL300020177541	0	34	-1.0	-39.53	306.85	4.36	-35.17
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C(O)C1=CC(F)=C(F)C=C1F	REAL300020177541	1	34	-1.0	-39.49	306.87	4.36	-35.13
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C(O)C1=CC(F)=C(F)C(F)=C1	REAL300020177542	0	34	-1.0	-38.85	311.32	4.27	-34.58
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C(O)C1=CC(F)=C(F)C(F)=C1	REAL300020177542	1	34	-1.0	-38.83	311.36	4.29	-34.54
CCC1=NN(C)C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1Cl	REAL300020177543	0	36	-1.0	-41.46	327.40	4.96	-36.50
CCC1=NN(C)C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1Cl	REAL300020177543	1	36	-1.0	-41.51	327.45	4.97	-36.54
O=C(CSC1=CC=CC(F)=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177544	0	34	-1.0	-38.17	310.05	6.66	-31.51
O=C(CSC1=CC=CC(F)=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177544	1	34	-1.0	-38.18	310.10	6.66	-31.52
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=C(C=C(Br)O2)N1	REAL300020177545	0	31	-1.0	-37.03	297.38	4.22	-32.81
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=C(C=C(Br)O2)N1	REAL300020177545	1	31	-1.0	-37.03	297.43	4.22	-32.81
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CCC(=O)N1CCC(F)(F)F	REAL300020177546	0	40	-1.0	-40.82	348.26	5.24	-35.58
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CCC(=O)N1CCC(F)(F)F	REAL300020177546	1	40	-1.0	-40.82	348.33	5.24	-35.58
CC1=C(Cl)C=C(Br)C=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177547	0	33	-1.0	-36.88	311.68	7.17	-29.71
CC1=C(Cl)C=C(Br)C=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177547	1	33	-1.0	-36.93	311.93	7.18	-29.75
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CC(=O)NC2=NC=CC=C21	REAL300020177548	0	37	-1.0	-49.88	316.75	3.57	-46.31
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CC(=O)NC2=NC=CC=C21	REAL300020177548	1	37	-1.0	-43.48	315.90	3.53	-39.95
CC1(C)CCC2=CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=C(Cl)N=C2C1	REAL300020177549	0	45	-1.0	-38.99	367.83	7.50	-31.49
CC1(C)CCC2=CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=C(Cl)N=C2C1	REAL300020177549	1	45	-1.0	-39.01	367.87	7.51	-31.50
CC1=CC(C)=C2NC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CC2=C1	REAL300020177550	0	40	-1.0	-40.21	337.84	6.73	-33.48
CC1=CC(C)=C2NC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=CC2=C1	REAL300020177550	1	40	-1.0	-40.19	337.88	6.73	-33.46
CC1=NC2=C(NC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=C2)S1	REAL300020177551	0	33	-1.0	-40.40	302.19	3.34	-37.06
CC1=NC2=C(NC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=C2)S1	REAL300020177551	1	33	-1.0	-40.34	302.24	3.34	-37.00
CC1(C)OCC2=C1NN=C2C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177552	0	38	-1.0	-44.33	321.88	2.48	-41.85
CC1(C)OCC2=C1NN=C2C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177552	1	38	-1.0	-44.33	321.93	2.49	-41.84
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NNC(C2CCOCC2)=C1	REAL300020177553	0	41	-1.0	-45.37	339.21	3.37	-42.00
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NNC(C2CCOCC2)=C1	REAL300020177553	1	41	-1.0	-45.36	339.25	3.37	-41.99
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN(C2CCCC2)N=C1	REAL300020177554	0	40	-1.0	-42.18	329.41	5.88	-36.30
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN(C2CCCC2)N=C1	REAL300020177554	1	40	-1.0	-42.21	329.36	5.86	-36.35
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NOC2=C1CC(F)(F)CC2	REAL300020177555	0	36	-1.0	-46.84	312.66	5.56	-41.28
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NOC2=C1CC(F)(F)CC2	REAL300020177555	1	36	-1.0	-46.89	312.70	5.56	-41.33
O=C(CCN1C=CC2=CC=CN=C21)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177556	0	39	-1.0	-42.65	335.30	7.33	-35.32
O=C(CCN1C=CC2=CC=CN=C21)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177556	1	39	-1.0	-42.64	335.25	7.32	-35.32
CC1=CC([N+](=O)[O-])=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1F	REAL300020177557	0	35	-1.0	-45.88	314.27	7.34	-38.54
CC1=CC([N+](=O)[O-])=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1F	REAL300020177557	1	35	-1.0	-45.89	314.32	7.35	-38.54
CCCC1=NC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CS1	REAL300020177558	0	35	-1.0	-46.13	313.70	4.73	-41.40
CCCC1=NC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CS1	REAL300020177558	1	35	-1.0	-46.13	313.74	4.73	-41.40
CC1=NN(C)C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1Cl	REAL300020177559	0	33	-1.0	-41.50	305.92	4.23	-37.27
CC1=NN(C)C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1Cl	REAL300020177559	1	33	-1.0	-41.49	305.96	4.23	-37.26
CC(C)(C)C1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)N1	REAL300020177560	0	40	-1.0	-39.68	330.35	5.62	-34.06
CC(C)(C)C1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)N1	REAL300020177560	1	40	-1.0	-39.67	330.39	5.62	-34.05
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O=C(CS(=O)(=O)C1=CC=CC=C1F)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177561	1	36	-1.0	-49.29	329.52	3.20	-46.09
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN=C(F)C(F)=C1	REAL300020177562	0	29	-1.0	-35.70	269.25	3.70	-32.00
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN=C(F)C(F)=C1	REAL300020177562	1	29	-1.0	-35.65	269.20	3.68	-31.97
COC1=CC=C2C=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)N=C2N1	REAL300020177563	0	37	-1.0	-57.70	320.16	3.60	-54.10
COC1=CC=C2C=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)N=C2N1	REAL300020177563	1	37	-1.0	-57.68	320.21	3.60	-54.08
COC(=O)[C@@H]1C[C@]1(C)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177564	0	36	-1.0	-45.59	309.97	5.31	-40.28
COC(=O)[C@@H]1C[C@]1(C)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177564	1	36	-1.0	-45.64	310.07	5.34	-40.30
COC(=O)C1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C(C)S1	REAL300020177565	0	36	-1.0	-46.94	325.57	5.94	-41.00
COC(=O)C1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C(C)S1	REAL300020177565	1	36	-1.0	-46.87	325.61	5.94	-40.93
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN=C(C2CCOCC2)NC1=O	REAL300020177566	0	43	-1.0	-53.21	353.05	3.36	-49.85
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN=C(C2CCOCC2)NC1=O	REAL300020177566	1	43	-1.0	-53.20	353.14	3.36	-49.84
CC(C)(C)C1=NC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CN1	REAL300020177567	0	39	-1.0	-49.89	325.88	4.58	-45.31
CC(C)(C)C1=NC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CN1	REAL300020177567	1	39	-1.0	-49.86	325.92	4.58	-45.28
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=C2C(F)=C(Cl)C=CN2N=C1	REAL300020177568	0	33	-1.0	-46.40	308.63	5.80	-40.60
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=C2C(F)=C(Cl)C=CN2N=C1	REAL300020177568	1	33	-1.0	-46.49	308.59	5.80	-40.69
COC(=O)C1=CC2=C(SC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=C2)S1	REAL300020177569	0	36	-1.0	-40.27	346.65	6.71	-33.56
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)[C@@H]1CCC2=CC=CC=C21	REAL300020177570	0	37	-1.0	-41.81	303.26	7.38	-34.43
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)[C@@H]1CCC2=CC=CC=C21	REAL300020177570	1	37	-1.0	-41.77	303.31	7.37	-34.40
CCN1C=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC1=O	REAL300020177571	0	36	-1.0	-43.18	308.47	5.21	-37.97
CCN1C=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC1=O	REAL300020177571	1	36	-1.0	-43.17	308.51	5.21	-37.96
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C2CCOC2=C1	REAL300020177572	0	35	-1.0	-41.99	297.35	5.33	-36.66
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C2CCOC2=C1	REAL300020177572	1	35	-1.0	-41.96	297.40	5.33	-36.63
COC1=CC=NC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1F	REAL300020177573	0	33	-1.0	-47.66	291.92	3.14	-44.52
COC1=CC=NC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1F	REAL300020177573	1	33	-1.0	-47.67	291.88	3.13	-44.54
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=C(S1)C1=CC=CC=C1NC2=O	REAL300020177574	0	39	-1.0	-45.81	352.01	5.99	-39.82
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=C(S1)C1=CC=CC=C1NC2=O	REAL300020177574	1	39	-1.0	-45.80	352.06	6.00	-39.80
O=C(CSC1=CC=CC(Cl)=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177575	0	34	-1.0	-37.86	320.37	7.10	-30.76
O=C(CSC1=CC=CC(Cl)=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177575	1	34	-1.0	-37.87	320.42	7.11	-30.76
COCC1=CN=C(OC)C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020177576	0	40	-1.0	-43.09	341.67	3.04	-40.05
COCC1=CN=C(OC)C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020177576	1	40	-1.0	-43.09	341.63	3.04	-40.05
CC1=CC=C2C(=C1)C=CN2CCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177577	0	43	-1.0	-39.81	360.69	8.80	-31.01
CC1=CC=C2C(=C1)C=CN2CCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177577	1	43	-1.0	-39.82	360.73	8.80	-31.02
COC1=CC=C(C(C)=CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020177578	0	41	-1.0	-40.88	345.32	6.77	-34.11
COC1=CC=C(C(C)=CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020177578	1	41	-1.0	-40.85	345.38	6.79	-34.06
O=C(CN1N=NC(C2CC2)=N1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177579	0	35	-1.0	-41.56	308.85	3.69	-37.87
O=C(CN1N=NC(C2CC2)=N1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177579	1	35	-1.0	-41.54	308.89	3.68	-37.86
CC1(C)OC2=CC=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C2O1	REAL300020177580	0	39	-1.0	-39.71	329.66	5.77	-33.94
CC1(C)OC2=CC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=C2O1	REAL300020177580	1	39	-1.0	-39.71	329.71	5.77	-33.94
COC1=CC=C(C(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(F)F)C=C1	REAL300020177581	0	43	-1.0	-40.23	359.74	6.75	-33.48
COC1=CC=C(C(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(F)F)C=C1	REAL300020177581	1	43	-1.0	-40.17	359.80	6.75	-33.42
COC1=CC2=C(OCC2)C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020177582	0	39	-1.0	-44.66	325.92	5.48	-39.18
COC1=CC2=C(OCC2)C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020177582	1	39	-1.0	-44.70	325.96	5.48	-39.22
CC1=CC(=O)N(CCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=N1	REAL300020177583	0	38	-1.0	-48.70	326.95	5.54	-43.16
CC1=CC(=O)N(CCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=N1	REAL300020177583	1	38	-1.0	-48.66	326.99	5.54	-43.12
CC1=CSC2=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)N=CN=C12	REAL300020177584	0	34	-1.0	-44.02	309.15	5.47	-38.55
CC1=CSC2=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)N=CN=C12	REAL300020177584	1	34	-1.0	-44.03	309.11	5.46	-38.57
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)[C@H]1CC(=O)N[C@@H](C2=CC=CC=C2)C1	REAL300020177585	0	44	-1.0	-41.62	363.68	5.72	-35.90
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)[C@H]1CC(=O)N[C@@H](C2=CC=CC=C2)C1	REAL300020177585	1	44	-1.0	-41.60	363.73	5.72	-35.88
CC(C)(C)OC(=O)NC1=CN(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)N=C1	REAL300020177586	0	47	-1.0	-44.95	387.03	3.70	-41.25
CC(C)(C)OC(=O)NC1=CN(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)N=C1	REAL300020177586	1	47	-1.0	-44.90	387.07	3.70	-41.20
CC(C)(C)OC(=O)N1CC[C@H](OCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020177587	0	51	-1.0	-43.36	410.40	5.87	-37.49
CC(C)(C)OC(=O)N1CC[C@H](OCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020177587	1	51	-1.0	-43.40	410.44	5.87	-37.53
CC(C)(C)OC(=O)NC(C)(C)C=CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177588	0	50	-1.0	-40.45	395.09	4.89	-35.56
CC(C)(C)OC(=O)NC(C)(C)C=CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177588	1	50	-1.0	-40.43	395.14	4.89	-35.54
CC(C)(C)OC(=O)N[C@H]1C[C@@H](CCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020177589	0	53	-1.0	-42.81	421.82	5.78	-37.03
CC(C)(C)OC(=O)N[C@H]1C[C@@H](CCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020177589	1	53	-1.0	-42.81	421.87	5.79	-37.02
CC(C)(C)OC(=O)NCCOCCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177590	0	50	-1.0	-42.43	408.10	3.07	-39.36
CC(C)(C)OC(=O)NCCOCCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177590	1	50	-1.0	-42.40	408.15	3.07	-39.33
O=C(CC1=NN=C2COCCN12)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177591	0	37	-1.0	-43.46	314.17	3.60	-39.86
O=C(CC1=NN=C2COCCN12)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177591	1	37	-1.0	-43.42	314.21	3.60	-39.82
COC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C(N)C(OC)=C1OC	REAL300020177592	0	44	-1.0	-39.04	365.95	3.06	-35.98
COC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C(N)C(OC)=C1OC	REAL300020177592	1	44	-1.0	-39.00	366.00	3.07	-35.93
NC1=C(Cl)C=C(Cl)C=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177593	0	32	-1.0	-37.13	301.42	4.75	-32.38
NC1=C(Cl)C=C(Cl)C=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177593	1	32	-1.0	-37.17	301.47	4.75	-32.42
NC1=CC=C(Br)C=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177594	0	32	-1.0	-40.97	292.53	4.31	-36.66
NC1=CC=C(Br)C=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177594	1	32	-1.0	-40.92	292.57	4.33	-36.59
NC1=CC=C(Cl)C=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177595	0	32	-1.0	-41.20	287.97	4.21	-36.99
NC1=CC=C(Cl)C=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177595	1	32	-1.0	-41.18	288.01	4.22	-36.96
NC1=C(Cl)C=CC=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177596	0	32	-1.0	-38.08	284.69	4.24	-33.84
NC1=C(Cl)C=CC=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177596	1	32	-1.0	-38.02	284.74	4.24	-33.78
NC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=CC=C1C(F)(F)F	REAL300020177597	0	35	-1.0	-37.46	304.54	4.83	-32.63
NC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=CC=C1C(F)(F)F	REAL300020177597	1	35	-1.0	-37.38	304.58	4.83	-32.55
NC1=CC(F)=C(F)C=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177598	0	32	-1.0	-39.97	284.61	3.80	-36.17
NC1=CC(F)=C(F)C=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177598	1	32	-1.0	-39.91	284.65	3.82	-36.09
CC1=CC(Br)=C(N)C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020177599	0	35	-1.0	-38.26	311.70	5.01	-33.25
CC1=CC(Br)=C(N)C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020177599	1	35	-1.0	-38.03	311.18	5.03	-33.00
NC1=C(Br)C=C(F)C=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177600	0	32	-1.0	-37.65	295.20	4.45	-33.20
NC1=C(Br)C=C(F)C=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177600	1	32	-1.0	-37.63	295.24	4.45	-33.18
NC1=C(Br)C=CC=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177601	0	32	-1.0	-37.98	288.79	4.38	-33.60
NC1=C(Br)C=CC=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177601	1	32	-1.0	-37.99	288.83	4.38	-33.61
NC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=CC(Cl)=C1Cl	REAL300020177602	0	32	-1.0	-35.56	302.20	4.73	-30.83
NC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=CC(Cl)=C1Cl	REAL300020177602	1	32	-1.0	-35.55	302.24	4.74	-30.81
CC1=CC=C(F)C(N)=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177603	0	35	-1.0	-40.44	303.54	3.85	-36.59
CC1=CC=C(F)C(N)=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177603	1	35	-1.0	-40.38	303.59	3.85	-36.53
CC1=CC(F)=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1N	REAL300020177604	0	35	-1.0	-42.31	296.32	4.48	-37.83
CC1=CC(F)=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1N	REAL300020177604	1	35	-1.0	-42.29	296.36	4.48	-37.81
NC1=C(F)C=C(Br)C=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177605	0	32	-1.0	-36.82	297.06	4.39	-32.43
NC1=C(F)C=C(Br)C=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177605	1	32	-1.0	-36.78	297.10	4.39	-32.39
NC1=CC=C(C(F)(F)F)C=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177606	0	35	-1.0	-42.41	309.98	4.69	-37.72
NC1=CC=C(C(F)(F)F)C=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177606	1	35	-1.0	-42.41	310.02	4.69	-37.72
CC1=CC(Br)=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1N	REAL300020177607	0	35	-1.0	-41.05	311.19	5.03	-36.02
CC1=CC(Br)=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1N	REAL300020177607	1	35	-1.0	-41.04	311.24	5.04	-36.00
NC1=CC(F)=C(Br)C=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177608	0	32	-1.0	-38.84	298.88	4.36	-34.48
NC1=CC(F)=C(Br)C=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177608	1	32	-1.0	-38.83	298.92	4.36	-34.47
CC1=CC(Cl)=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1N	REAL300020177609	0	35	-1.0	-41.25	306.63	4.92	-36.33
CC1=CC(Cl)=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1N	REAL300020177609	1	35	-1.0	-41.22	306.67	4.92	-36.30
CC1=CC(Cl)=C(N)C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020177610	0	35	-1.0	-38.35	307.56	4.88	-33.47
CC1=CC(Cl)=C(N)C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020177610	1	35	-1.0	-38.12	307.06	4.91	-33.21
NC1=CC(F)=C(Cl)C=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177611	0	32	-1.0	-38.93	294.47	4.26	-34.67
NC1=CC(F)=C(Cl)C=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177611	1	32	-1.0	-38.95	294.52	4.26	-34.69
NC1=C(Br)C=C(Cl)C=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177612	0	32	-1.0	-37.11	305.52	4.89	-32.22
NC1=C(Br)C=C(Cl)C=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177612	1	32	-1.0	-37.02	305.56	4.89	-32.13
CC1=CN(C2=CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=C(N)C=C2F)N=C1	REAL300020177613	0	42	-1.0	-47.15	354.86	5.56	-41.59
CC1=CN(C2=CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=C(N)C=C2F)N=C1	REAL300020177613	1	42	-1.0	-47.23	354.81	5.56	-41.67
COC1=CC(N)=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1S(C)(=O)=O	REAL300020177614	0	42	-1.0	-53.03	358.85	1.09	-51.94
COC1=CC(N)=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1S(C)(=O)=O	REAL300020177614	1	42	-1.0	-53.03	358.89	1.09	-51.94
CC1=C(Br)C=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1N	REAL300020177615	0	35	-1.0	-39.09	307.63	4.96	-34.13
CC1=C(Br)C=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1N	REAL300020177615	1	35	-1.0	-39.10	307.67	4.96	-34.14
CC1=C(F)C=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1N	REAL300020177616	0	35	-1.0	-38.83	294.87	4.47	-34.36
CC1=C(F)C=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1N	REAL300020177616	1	35	-1.0	-38.85	294.92	4.48	-34.37
CC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(N)=C1Cl	REAL300020177617	0	35	-1.0	-38.15	305.74	4.83	-33.32
CC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(N)=C1Cl	REAL300020177617	1	35	-1.0	-38.14	305.78	4.84	-33.30
CC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C(N)C=C1F	REAL300020177618	0	35	-1.0	-38.03	297.97	4.40	-33.63
CC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C(N)C=C1F	REAL300020177618	1	35	-1.0	-38.02	298.02	4.40	-33.62
NC1=C(Cl)C=C(F)C=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177619	0	32	-1.0	-37.78	291.10	4.31	-33.47
NC1=C(Cl)C=C(F)C=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177619	1	32	-1.0	-37.73	291.15	4.31	-33.42
COC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(N)=C1F	REAL300020177620	0	36	-1.0	-39.22	306.33	3.09	-36.13
COC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(N)=C1F	REAL300020177620	1	36	-1.0	-39.23	306.38	3.10	-36.13
COC1=C(F)C=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(N)=C1F	REAL300020177621	0	36	-1.0	-38.60	316.55	3.27	-35.33
COC1=C(F)C=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(N)=C1F	REAL300020177621	1	36	-1.0	-38.61	316.59	3.27	-35.34
NC1=CC(Br)=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1N	REAL300020177622	0	34	-1.0	-41.49	304.37	2.41	-39.08
NC1=CC(Br)=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1N	REAL300020177622	1	34	-1.0	-41.50	304.42	2.42	-39.08
NC1=CC(Cl)=C(Cl)C=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177623	0	32	-1.0	-38.92	303.78	4.66	-34.26
NC1=CC(Cl)=C(Cl)C=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177623	1	32	-1.0	-38.93	303.82	4.66	-34.27
NC1=CC(Br)=C(F)C=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177624	0	32	-1.0	-39.28	299.07	4.36	-34.92
NC1=CC(Br)=C(F)C=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177624	1	32	-1.0	-39.27	299.12	4.36	-34.91
COC1=CC(Br)=C(N)C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020177625	0	36	-1.0	-40.60	319.68	3.66	-36.94
COC1=CC(Br)=C(N)C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020177625	1	36	-1.0	-40.56	319.73	3.66	-36.90
NC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=CC(Cl)=C1F	REAL300020177626	0	32	-1.0	-35.63	293.77	4.27	-31.36
NC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=CC(Cl)=C1F	REAL300020177626	1	32	-1.0	-35.60	293.82	4.27	-31.33
COC1=CC(N)=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1Br	REAL300020177627	0	36	-1.0	-42.36	320.06	3.67	-38.69
COC1=CC(N)=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1Br	REAL300020177627	1	36	-1.0	-42.41	321.10	3.69	-38.72
NC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=CC(Br)=C1F	REAL300020177628	0	32	-1.0	-35.58	298.18	4.36	-31.22
NC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=CC(Br)=C1F	REAL300020177628	1	32	-1.0	-35.54	298.23	4.37	-31.17
CC1=C(F)C=CC(N)=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177629	0	35	-1.0	-39.04	302.37	3.76	-35.28
CC1=C(F)C=CC(N)=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177629	1	35	-1.0	-38.98	302.41	3.77	-35.21
COC1=CC(OC)=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(N)=C1Cl	REAL300020177630	0	40	-1.0	-43.47	349.76	2.50	-40.97
COC1=CC(OC)=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(N)=C1Cl	REAL300020177630	1	40	-1.0	-43.45	349.80	2.50	-40.95
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(Br)C(Cl)=N1	REAL300020177631	0	29	-1.0	-43.25	295.08	4.74	-38.51
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(Br)C(Cl)=N1	REAL300020177631	1	29	-1.0	-43.28	295.04	4.74	-38.54
C[NH+](C)CCSCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177632	0	39	0.0	-59.19	328.62	5.83	-53.36
C[NH+](C)CCSCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177632	1	39	0.0	-59.17	328.66	5.84	-53.33
O=C(CCC1=C(Br)SC=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177633	0	33	-1.0	-40.00	316.56	6.53	-33.47
O=C(CCC1=C(Br)SC=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177633	1	33	-1.0	-39.97	316.60	6.54	-33.43
CN1C=C(Br)C(=O)C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020177634	0	33	-1.0	-63.13	303.81	5.73	-57.40
CN1C=C(Br)C(=O)C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020177634	1	33	-1.0	-63.07	303.85	5.74	-57.33
CC(C)(C)OC1CC(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1(C)C	REAL300020177635	0	52	-1.0	-38.28	400.20	7.44	-30.84
CC(C)(C)OC1CC(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1(C)C	REAL300020177635	1	52	-1.0	-38.28	400.24	7.45	-30.83
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C12CC(C1)CN2C1CC1	REAL300020177636	0	40	-1.0	-42.12	317.23	4.65	-37.47
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C12CC(C1)C[N@@H+]2C1CC1	REAL300020177636	1	41	0.0	-45.24	315.00	6.58	-38.66
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C12CC(C1)C[N@H+]2C1CC1	REAL300020177636	1	41	0.0	-43.80	317.70	6.85	-36.95
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C12CC(C1)CN2C1CC1	REAL300020177636	1	40	-1.0	-42.12	317.29	4.66	-37.46
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NN=C2C(Br)=CC=CN12	REAL300020177637	0	32	-1.0	-51.75	305.33	6.33	-45.42
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NN=C2C(Br)=CC=CN12	REAL300020177637	1	32	-1.0	-51.77	305.28	6.33	-45.44
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CC2=CC=CC=C2NC1=O	REAL300020177638	0	38	-1.0	-45.11	321.56	4.42	-40.69
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CC2=CC=CC=C2NC1=O	REAL300020177638	1	38	-1.0	-45.10	321.60	4.42	-40.68
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)NC2=CC=C(F)C=C21	REAL300020177639	0	37	-1.0	-37.96	319.27	6.16	-31.80
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)NC2=CC=C(F)C=C21	REAL300020177639	1	37	-1.0	-37.93	319.32	6.17	-31.76
CC(=CC1=CC=C(F)C(F)=C1)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177640	0	37	-1.0	-38.15	322.07	7.39	-30.76
CC(=CC1=CC=C(F)C(F)=C1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177640	1	37	-1.0	-38.13	322.11	7.40	-30.73
O=C(C=CCOC1=CC=CC=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177641	0	38	-1.0	-41.41	328.23	6.34	-35.07
O=C(C=CCOC1=CC=CC=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177641	1	38	-1.0	-41.32	328.27	6.35	-34.97
O=C(CC1CC(=O)NC(=O)C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177642	0	36	-1.0	-42.72	305.16	1.71	-41.01
O=C(CC1CC(=O)NC(=O)C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177642	1	36	-1.0	-42.72	305.20	1.71	-41.01
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=NC2=NNC=C21	REAL300020177643	0	32	-1.0	-41.91	281.77	3.46	-38.45
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=NC2=NNC=C21	REAL300020177643	1	32	-1.0	-41.80	280.81	3.43	-38.37
O=C(CC1=CC=CC(F)=C1O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177644	0	34	-1.0	-39.59	301.17	3.41	-36.18
O=C(CC1=CC=CC(F)=C1O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177644	1	34	-1.0	-39.60	301.22	3.42	-36.18
CN1C(=S)NN=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177645	0	30	-1.0	-38.69	277.83	4.15	-34.54
CN1C(=S)NN=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177645	1	30	-1.0	-38.70	277.88	4.15	-34.55
CN1C(=S)[N-]N=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177645	1	29	-2.0	-91.32	275.29	3.96	-87.36
CN1C(=S)[N-]N=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177645	1	29	-2.0	-91.27	275.33	3.97	-87.30
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CC2CC(O)CC(C2)C1	REAL300020177646	0	44	-1.0	-40.94	327.46	4.22	-36.72
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CC2CC(O)CC(C2)C1	REAL300020177646	1	44	-1.0	-40.85	327.51	4.22	-36.63
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=C([N-]1)SC(Br)=N2	REAL300020177647	0	29	-2.0	-93.82	298.71	2.70	-91.12
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=C([N-]1)SC(Br)=N2	REAL300020177647	1	29	-2.0	-93.81	298.76	2.70	-91.11
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=C(N1)SC(Br)=N2	REAL300020177647	1	30	-1.0	-36.63	301.98	3.20	-33.43
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=C(N1)SC(Br)=N2	REAL300020177647	1	30	-1.0	-36.54	300.98	3.17	-33.37
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NNC(C2=CC=NC=C2)=C1	REAL300020177648	0	36	-1.0	-45.14	317.97	3.69	-41.45
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NNC(C2=CC=NC=C2)=C1	REAL300020177648	1	36	-1.0	-45.15	318.01	3.67	-41.48
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=CNN=C2S1	REAL300020177649	0	30	-1.0	-49.16	280.21	3.30	-45.86
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=CNN=C2S1	REAL300020177649	1	30	-1.0	-49.18	280.25	3.31	-45.87
CC1=NSC(Br)=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177650	0	29	-1.0	-37.61	291.70	4.21	-33.40
CC1=NSC(Br)=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177650	1	29	-1.0	-37.61	291.74	4.21	-33.40
CC1=CN2CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)CCC2=N1	REAL300020177651	0	40	-1.0	-39.68	327.48	6.16	-33.52
CC1=CN2CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)CCC2=N1	REAL300020177651	1	40	-1.0	-39.67	327.52	6.16	-33.51
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O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN2N=C(Cl)N=C2C=C1	REAL300020177652	1	32	-1.0	-36.44	300.44	5.69	-30.75
COC(=O)C1=CC(OC)=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1Cl	REAL300020177653	0	40	-1.0	-43.52	353.01	5.81	-37.71
COC(=O)C1=CC(OC)=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1Cl	REAL300020177653	1	40	-1.0	-43.47	353.05	5.81	-37.66
NC1=C(Br)C=NC=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177654	0	31	-1.0	-37.81	285.19	2.59	-35.22
NC1=C(Br)C=NC=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177654	1	31	-1.0	-37.79	285.24	2.60	-35.19
NC1=C(Br)C=[NH+]C=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177654	1	32	0.0	-41.85	288.55	3.08	-38.77
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O=C(CCN1CCCC2=CC=CC=C21)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177656	0	45	-1.0	-40.58	356.47	6.56	-34.02
O=C(CCN1CCCC2=CC=CC=C21)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177656	1	45	-1.0	-40.58	356.51	6.56	-34.02
CC(C)(C)OC(=O)NC[C@H](O)CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177657	0	47	-1.0	-42.74	382.63	1.26	-41.48
CC(C)(C)OC(=O)NC[C@H](O)CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177657	1	47	-1.0	-42.71	382.68	1.26	-41.45
COC(=O)C1C(F)(F)C12CC(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C2	REAL300020177658	0	40	-1.0	-40.90	348.69	6.60	-34.30
COC(=O)C1C(F)(F)C12CC(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C2	REAL300020177658	1	40	-1.0	-40.91	348.74	6.61	-34.30
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C(O)CC1=CC=NC=C1Br	REAL300020177659	0	36	-1.0	-38.15	322.44	3.91	-34.24
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C(O)CC1=CC=NC=C1Br	REAL300020177659	1	36	-1.0	-38.15	322.48	3.91	-34.24
CC1=[NH+]C=C2C=CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=CN21	REAL300020177660	0	37	0.0	-52.11	313.33	7.17	-44.94
CC1=NC=C2C=CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=CN21	REAL300020177660	1	36	-1.0	-40.35	309.90	6.72	-33.63
COC(=O)[C@@]1(Cl)C[C@@H]1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177661	0	33	-1.0	-39.09	303.42	5.12	-33.97
COC(=O)[C@@]1(Cl)C[C@@H]1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177661	1	33	-1.0	-39.06	303.47	5.12	-33.94
CC(C)(C)OC(=O)NCC[C@H](O)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177662	0	47	-1.0	-42.63	383.66	1.53	-41.10
CC(C)(C)OC(=O)NCC[C@H](O)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177662	1	47	-1.0	-42.62	383.71	1.54	-41.08
CC(C)(C)OC(=O)N1CCC12CC(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C2	REAL300020177663	0	51	-1.0	-41.99	401.33	6.25	-35.74
CC(C)(C)OC(=O)N1CCC12CC(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C2	REAL300020177663	1	51	-1.0	-41.94	401.38	6.25	-35.69
CC1=C(I)C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=NO1	REAL300020177664	0	29	-1.0	-43.76	286.89	4.63	-39.13
CC1=C(I)C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=NO1	REAL300020177664	1	29	-1.0	-43.76	286.94	4.63	-39.13
CC(C)(C)OC(=O)N1CCC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)O1	REAL300020177665	0	45	-1.0	-41.72	368.24	5.54	-36.18
CC(C)(C)OC(=O)N1CCC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)O1	REAL300020177665	1	45	-1.0	-41.70	368.28	5.54	-36.16
CC(C)(C)OC(=O)NCC=C(F)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177666	0	44	-1.0	-43.20	369.98	3.61	-39.59
CC(C)(C)OC(=O)NCC=C(F)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177666	1	44	-1.0	-43.17	370.03	3.62	-39.55
CC(C)(C)OC(=O)N1C[C@@H](CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)[C@H](O)C1	REAL300020177667	0	51	-1.0	-45.78	406.17	2.81	-42.97
CC(C)(C)OC(=O)N1C[C@@H](CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)[C@H](O)C1	REAL300020177667	1	51	-1.0	-45.74	406.21	2.81	-42.93
CC(C)(C)OC(=O)N1CCC12CC(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C2	REAL300020177668	0	51	-1.0	-41.99	401.33	6.25	-35.74
CC(C)(C)OC(=O)N1CCC12CC(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C2	REAL300020177668	1	51	-1.0	-41.94	401.38	6.25	-35.69
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)[C@H]1C[C@H](N2C=NN=C2)C1	REAL300020177669	0	36	-1.0	-43.84	302.21	7.03	-36.81
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)[C@H]1C[C@H](N2C=NN=C2)C1	REAL300020177669	1	36	-1.0	-46.13	303.16	7.04	-39.09
CCN1CCOCC1CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177670	0	42	-1.0	-38.98	327.30	2.15	-36.83
CC[N@@H+]1CCOCC1CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177670	1	43	0.0	-52.35	328.43	4.36	-47.99
CC[N@H+]1CCOCC1CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177670	1	43	0.0	-51.70	329.80	4.37	-47.33
CCN1CCOCC1CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177670	1	42	-1.0	-38.96	327.34	2.15	-36.81
COC(CF)(OC)C1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020177671	0	44	-1.0	-40.53	363.30	5.94	-34.59
COC(CF)(OC)C1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020177671	1	44	-1.0	-40.47	363.33	5.94	-34.53
CCOC(=O)CCC(F)(F)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177672	0	38	-1.0	-40.67	335.30	5.80	-34.87
CCOC(=O)CCC(F)(F)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177672	1	38	-1.0	-40.66	335.35	5.81	-34.85
COC1=CC(OC)=C(N)C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020177673	0	40	-1.0	-44.25	328.09	2.39	-41.86
COC1=CC(OC)=C(N)C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020177673	1	40	-1.0	-44.19	328.13	2.39	-41.80
C[C@H](C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C2OCOC2=C1	REAL300020177674	0	39	-1.0	-40.61	327.35	5.33	-35.28
C[C@H](C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C2OCOC2=C1	REAL300020177674	1	39	-1.0	-40.63	327.39	5.33	-35.30
CS(=O)(=O)N1CCC(OCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CC1	REAL300020177675	0	45	-1.0	-45.63	377.45	2.51	-43.12
CS(=O)(=O)N1CCC(OCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CC1	REAL300020177675	1	45	-1.0	-45.63	377.50	2.50	-43.13
CC1=CN(C2=CC=CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=C2)N=C1	REAL300020177676	0	40	-1.0	-45.78	341.80	7.35	-38.43
CC1=CN(C2=CC=CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=C2)N=C1	REAL300020177676	1	40	-1.0	-45.79	341.76	7.34	-38.45
CC(CC1=CC=C(F)C(F)=C1)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177677	0	39	-1.0	-38.55	335.41	7.54	-31.01
CC(CC1=CC=C(F)C(F)=C1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177677	1	39	-1.0	-38.56	335.45	7.54	-31.02
N#CC1=CC=CC=C1C1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020177678	0	41	-1.0	-48.12	359.37	9.21	-38.91
N#CC1=CC=CC=C1C1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020177678	1	41	-1.0	-48.07	359.41	9.21	-38.86
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC2=CC(F)=CC=C21	REAL300020177679	0	36	-1.0	-39.96	309.42	7.82	-32.14
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC2=CC(F)=CC=C21	REAL300020177679	1	36	-1.0	-39.94	309.47	7.82	-32.12
CN1C(Br)=CN=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177680	0	30	-1.0	-42.49	283.56	4.40	-38.09
CN1C(Br)=CN=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177680	1	30	-1.0	-42.46	282.56	4.38	-38.08
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN=C2OC=CC2=C1	REAL300020177681	0	32	-1.0	-44.05	283.88	2.77	-41.28
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN=C2OC=CC2=C1	REAL300020177681	1	32	-1.0	-44.05	283.83	2.76	-41.29
O=C(CCC1=CSC(Br)=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177682	0	33	-1.0	-37.40	319.18	6.62	-30.78
O=C(CCC1=CSC(Br)=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177682	1	33	-1.0	-37.37	319.23	6.63	-30.74
CCC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C(CC2=CC=CC=C2)N1	REAL300020177683	0	47	-1.0	-47.33	390.65	8.95	-38.38
CCC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C(CC2=CC=CC=C2)N1	REAL300020177683	1	47	-1.0	-46.20	391.69	8.97	-37.23
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=NN1C1CC1(F)F	REAL300020177684	0	34	-1.0	-40.13	306.10	5.18	-34.95
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=NN1C1CC1(F)F	REAL300020177684	1	34	-1.0	-40.14	306.05	5.18	-34.96
CC(C)(C)O[C@H]1C[C@@H](C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020177685	0	43	-1.0	-40.96	343.46	5.58	-35.38
CC(C)(C)O[C@H]1C[C@@H](C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020177685	1	43	-1.0	-40.93	343.50	5.58	-35.35
CCOC1=CC=C2NC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=C(C)C2=C1	REAL300020177686	0	44	-1.0	-40.13	364.25	6.31	-33.82
CCOC1=CC=C2NC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=C(C)C2=C1	REAL300020177686	1	44	-1.0	-40.13	363.28	6.28	-33.85
CCC1=CC=C2NC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=C(C)C2=C1	REAL300020177687	0	43	-1.0	-40.40	355.72	7.53	-32.87
CCC1=CC=C2NC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=C(C)C2=C1	REAL300020177687	1	43	-1.0	-40.23	354.75	7.52	-32.71
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)NC2=CC(C)=CC(C)=C21	REAL300020177688	0	43	-1.0	-41.40	347.55	7.19	-34.21
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)NC2=CC(C)=CC(C)=C21	REAL300020177688	1	43	-1.0	-41.39	347.60	7.19	-34.20
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)NC2=CC=C(C(C)C)C=C21	REAL300020177689	0	46	-1.0	-40.25	372.89	8.00	-32.25
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)NC2=CC=C(C(C)C)C=C21	REAL300020177689	1	46	-1.0	-40.02	371.92	7.99	-32.03
COC(=O)C1=C2C=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)SC2=CC=C1	REAL300020177690	0	39	-1.0	-48.33	351.44	7.40	-40.93
COC(=O)C1=C2C=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)SC2=CC=C1	REAL300020177690	1	39	-1.0	-48.23	351.48	7.41	-40.82
COC(=O)C1=NC=CC=C1CCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177691	0	41	-1.0	-48.07	348.18	5.54	-42.53
COC(=O)C1=NC=CC=C1CCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177691	1	41	-1.0	-48.05	348.13	5.54	-42.51
CC(C)(C)OC(=O)NCC1CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020177692	0	50	-1.0	-41.43	398.78	4.81	-36.62
CC(C)(C)OC(=O)NCC1CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020177692	1	50	-1.0	-41.48	398.82	4.81	-36.67
CC1=NC=CC=C1C=CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177693	0	36	-1.0	-40.60	308.73	5.41	-35.19
CC1=NC=CC=C1C=CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177693	1	36	-1.0	-40.56	308.77	5.41	-35.15
CC1=CN=CC=C1C=CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177694	0	36	-1.0	-40.38	308.88	5.44	-34.94
CC1=CN=CC=C1C=CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177694	1	36	-1.0	-40.28	307.91	5.41	-34.87
CNC(=O)C1=CN=CC(C=CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020177695	0	40	-1.0	-45.21	346.52	3.14	-42.07
CNC(=O)C1=CN=CC(C=CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020177695	1	40	-1.0	-45.19	346.56	3.14	-42.05
O=C(C=CC1=CC=NC(Cl)=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177696	0	33	-1.0	-39.16	307.93	5.36	-33.80
O=C(C=CC1=CC=NC(Cl)=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177696	1	33	-1.0	-39.13	306.96	5.32	-33.81
COC1=CC=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1N	REAL300020177697	0	36	-1.0	-41.04	298.64	3.08	-37.96
COC1=CC=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1N	REAL300020177697	1	36	-1.0	-41.05	298.69	3.09	-37.96
COC1=CC=C(C)C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1N	REAL300020177698	0	39	-1.0	-42.42	326.40	3.17	-39.25
COC1=CC=C(C)C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1N	REAL300020177698	1	39	-1.0	-42.39	326.44	3.17	-39.22
O=C(C=CC1=CC=NC2=CC=CC=C12)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177699	0	39	-1.0	-41.91	334.77	6.98	-34.93
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CC(=CC1=CC=C(F)C(F)=C1)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177700	0	37	-1.0	-38.15	322.07	7.39	-30.76
CC(=CC1=CC=C(F)C(F)=C1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177700	1	37	-1.0	-38.13	322.11	7.40	-30.73
CC(=CC1=CC=CS1)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177701	0	34	-1.0	-39.97	295.52	6.14	-33.83
CC(=CC1=CC=CS1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177701	1	34	-1.0	-40.02	295.57	6.14	-33.88
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CSC(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC(Cl)=C1	REAL300020177707	0	37	-1.0	-39.61	341.63	7.63	-31.98
CSC(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC(Cl)=C1	REAL300020177707	1	37	-1.0	-39.56	341.67	7.63	-31.93
CC1=CC2=NC=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C2C=C1	REAL300020177708	0	38	-1.0	-44.23	324.15	6.52	-37.71
CC1=CC2=NC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=C2C=C1	REAL300020177708	1	38	-1.0	-44.21	324.19	6.52	-37.69
COC1=C(F)C=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1F	REAL300020177709	0	34	-1.0	-38.88	305.50	5.04	-33.84
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C[C@@H](CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC(OC(F)(F)F)=C1	REAL300020177712	0	43	-1.0	-37.37	365.96	7.15	-30.22
C[C@@H](CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC(OC(F)(F)F)=C1	REAL300020177712	1	43	-1.0	-37.43	366.00	7.15	-30.28
CC1(C)C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CCS1(=O)=O	REAL300020177713	0	39	-1.0	-41.93	323.08	2.21	-39.72
CC1(C)C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CCS1(=O)=O	REAL300020177713	1	39	-1.0	-41.95	323.12	2.21	-39.74
COC1=CC(F)=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1N	REAL300020177714	0	36	-1.0	-40.88	305.04	3.15	-37.73
COC1=CC(F)=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1N	REAL300020177714	1	36	-1.0	-40.92	305.09	3.15	-37.77
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CCCC1=CC=C(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020177716	0	42	-1.0	-39.50	350.52	8.37	-31.13
CCCC1=CC=C(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020177716	1	42	-1.0	-39.47	350.57	8.39	-31.08
CC(C)N1C=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC1=O	REAL300020177717	0	39	-1.0	-42.28	324.87	5.61	-36.67
CC(C)N1C=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC1=O	REAL300020177717	1	39	-1.0	-42.28	324.92	5.62	-36.66
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CC(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C(C)C1=CC=C(F)C=C1	REAL300020177719	0	42	-1.0	-39.39	342.96	7.88	-31.51
CC(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C(C)C1=CC=C(F)C=C1	REAL300020177719	1	42	-1.0	-39.37	343.00	7.88	-31.49
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CN(CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(C#N)C=C1F	REAL300020177726	0	39	-1.0	-39.70	342.98	5.66	-34.04
CN(CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(C#N)C=C1F	REAL300020177726	1	39	-1.0	-39.70	343.03	5.67	-34.03
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CN1N=NC=C1C(F)(F)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177730	0	32	-1.0	-39.00	290.07	2.54	-36.46
CN1N=NC=C1C(F)(F)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177730	1	32	-1.0	-39.00	290.03	2.53	-36.47
COC(=O)[C@@H](CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)NC(=O)OC(C)(C)C	REAL300020177731	0	49	-1.0	-43.32	404.89	4.46	-38.86
COC(=O)[C@@H](CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)NC(=O)OC(C)(C)C	REAL300020177731	1	49	-1.0	-43.26	404.92	4.47	-38.79
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CC1CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)N1C(=O)OC(C)(C)C	REAL300020177733	0	47	-1.0	-41.70	379.13	5.66	-36.04
CC1CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)N1C(=O)OC(C)(C)C	REAL300020177733	1	47	-1.0	-41.68	379.18	5.65	-36.03
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CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)NC2=CC=C(C(F)(F)F)C=C21	REAL300020177736	0	40	-1.0	-37.53	351.82	7.09	-30.44
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)NC2=CC=C(C(F)(F)F)C=C21	REAL300020177736	1	40	-1.0	-37.66	350.85	7.08	-30.58
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)NC2=C(C)C=CC=C12	REAL300020177737	0	40	-1.0	-40.94	334.07	6.74	-34.20
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)NC2=C(C)C=CC=C12	REAL300020177737	1	40	-1.0	-40.81	333.10	6.73	-34.08
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C(C2=CC=CC=C2)N1	REAL300020177738	0	41	-1.0	-45.99	344.34	7.46	-38.53
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C(C2=CC=CC=C2)N1	REAL300020177738	1	41	-1.0	-45.97	344.39	7.46	-38.51
CCC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C(C2=CC=CC=C2)N1	REAL300020177739	0	44	-1.0	-45.86	365.68	8.18	-37.68
CCC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C(C2=CC=CC=C2)N1	REAL300020177739	1	44	-1.0	-46.11	364.72	8.17	-37.94
CCC1=CN2C(=N1)C=CC=C2C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177740	0	39	-1.0	-40.45	327.25	7.17	-33.28
CCC1=CN2C(=N1)C=CC=C2C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177740	1	39	-1.0	-40.49	327.32	7.19	-33.30
N#CC1CCCC(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020177741	0	40	-1.0	-44.46	322.38	6.43	-38.03
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CC1(C)CC(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CC(C)(C)O1	REAL300020177742	0	49	-1.0	-38.22	371.92	6.69	-31.53
CC1(C)CC(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CC(C)(C)O1	REAL300020177742	1	49	-1.0	-38.20	371.96	6.69	-31.51
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O=C(CCCCCN1C=NN=N1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177744	0	40	-1.0	-47.83	341.62	5.68	-42.15
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CN1N=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C2=CC(F)=CC=C21	REAL300020177749	0	36	-1.0	-48.11	318.53	5.49	-42.62
CN1N=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C2=CC(F)=CC=C21	REAL300020177749	1	36	-1.0	-48.09	318.48	5.49	-42.60
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O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(C2CCOC2)C=C1	REAL300020177751	1	41	-1.0	-41.44	336.27	6.08	-35.36
CN1C=C(C2=NOC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=C2)C=N1	REAL300020177752	0	36	-1.0	-43.65	323.94	4.30	-39.35
CN1C=C(C2=NOC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=C2)C=N1	REAL300020177752	1	36	-1.0	-43.70	323.90	4.30	-39.40
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O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN=CC2=C1CCCC2	REAL300020177753	1	39	-1.0	-42.51	312.68	6.16	-36.35
CC1=CC=CN2N=CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=C12	REAL300020177754	0	36	-1.0	-47.47	302.29	5.89	-41.58
CC1=CC=CN2N=CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=C12	REAL300020177754	1	36	-1.0	-47.38	301.24	5.86	-41.52
C=CCNC(=O)C1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020177755	0	41	-1.0	-40.68	352.20	5.17	-35.51
C=CCNC(=O)C1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020177755	1	41	-1.0	-40.65	352.25	5.17	-35.48
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CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)NC2=CC(C)=CC=C21	REAL300020177758	0	40	-1.0	-41.05	334.24	6.75	-34.30
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)NC2=CC(C)=CC=C21	REAL300020177758	1	40	-1.0	-41.03	334.28	6.76	-34.27
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)NC2=CC=C([N+](=O)[O-])C=C21	REAL300020177759	0	39	-1.0	-37.58	340.94	6.76	-30.82
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)NC2=CC=C([N+](=O)[O-])C=C21	REAL300020177759	1	39	-1.0	-37.65	339.98	6.75	-30.90
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)NC2=CC(Cl)=CC=C21	REAL300020177760	0	37	-1.0	-39.08	329.58	6.60	-32.48
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)NC2=CC(Cl)=CC=C21	REAL300020177760	1	37	-1.0	-38.98	328.61	6.58	-32.40
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)NC2=CC(F)=CC=C21	REAL300020177761	0	37	-1.0	-39.59	319.28	6.16	-33.43
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)NC2=CC(F)=CC=C21	REAL300020177761	1	37	-1.0	-39.56	319.32	6.17	-33.39
CC1=C2N=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=CN2N=C1	REAL300020177762	0	35	-1.0	-46.14	308.03	5.11	-41.03
CC1=C2N=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=CN2N=C1	REAL300020177762	1	35	-1.0	-46.17	307.98	5.11	-41.06
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(Br)=CC(F)=C1F	REAL300020177763	0	30	-1.0	-37.40	293.63	6.25	-31.15
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O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=C2SN=CC2=CC=C1	REAL300020177764	1	32	-1.0	-44.68	290.47	5.64	-39.04
CC(C)(C)OC(=O)N1CCCC12CC(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C2	REAL300020177765	0	54	-1.0	-49.55	416.69	7.20	-42.35
CC(C)(C)OC(=O)N1CCCC12CC(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C2	REAL300020177765	1	54	-1.0	-49.54	416.72	7.20	-42.34
CCC(CCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)NC(=O)OC(C)(C)C	REAL300020177766	0	52	-1.0	-40.62	407.74	5.35	-35.27
CCC(CCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)NC(=O)OC(C)(C)C	REAL300020177766	1	52	-1.0	-40.59	407.79	5.36	-35.23
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CC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1C1=CC=CC=C1	REAL300020177769	0	43	-1.0	-42.14	357.46	9.56	-32.58
CC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1C1=CC=CC=C1	REAL300020177769	1	43	-1.0	-42.08	357.50	9.56	-32.52
CC(C)(C)OC(=O)NC1(CCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CC1	REAL300020177770	0	50	-1.0	-42.53	404.93	5.30	-37.23
CC(C)(C)OC(=O)NC1(CCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CC1	REAL300020177770	1	50	-1.0	-42.46	404.96	5.31	-37.15
CC1=CC=C(C2=CC=CC=C2)C=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177771	0	43	-1.0	-44.90	351.47	9.58	-35.32
CC1=CC=C(C2=CC=CC=C2)C=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177771	1	43	-1.0	-44.86	351.52	9.58	-35.28
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=COC2=C(Br)C=CC=C12	REAL300020177772	0	33	-1.0	-40.03	311.49	6.43	-33.60
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COC1=CC(OC)=C(Cl)C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020177773	0	38	-1.0	-44.49	332.23	4.64	-39.85
COC1=CC(OC)=C(Cl)C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020177773	1	38	-1.0	-44.44	332.27	4.65	-39.79
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NNC2=C1C[C@H]1C[C@@H]21	REAL300020177774	0	35	-1.0	-46.96	298.70	4.48	-42.48
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NNC2=C1C[C@H]1C[C@@H]21	REAL300020177774	1	35	-1.0	-46.93	298.76	4.49	-42.44
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CCC1C1=CC=C(Cl)C(Cl)=C1	REAL300020177775	0	40	-1.0	-39.64	361.64	8.88	-30.76
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CCC1C1=CC=C(Cl)C(Cl)=C1	REAL300020177775	1	40	-1.0	-39.64	361.69	8.88	-30.76
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CCCC2=C1N=CS2	REAL300020177776	0	36	-1.0	-45.18	307.94	5.47	-39.71
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CCCC2=C1N=CS2	REAL300020177776	1	36	-1.0	-45.19	307.98	5.47	-39.72
CC1(C)CCC(F)(F)CC1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177777	0	42	-1.0	-39.59	321.85	6.62	-32.97
CC1(C)CCC(F)(F)CC1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177777	1	42	-1.0	-39.60	321.90	6.62	-32.98
CC1=CC=CN=C1C=CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177778	0	36	-1.0	-44.74	311.03	5.69	-39.05
CC1=CC=CN=C1C=CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177778	1	36	-1.0	-44.45	310.06	5.66	-38.79
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(CC2=CC=CC=C2)C=N1	REAL300020177779	0	42	-1.0	-46.47	361.58	8.19	-38.28
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(CC2=CC=CC=C2)C=N1	REAL300020177779	1	42	-1.0	-46.48	361.54	8.19	-38.29
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC(C2CC(F)(F)C2(F)F)=C1	REAL300020177780	0	40	-1.0	-42.85	349.04	8.27	-34.58
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC(C2CC(F)(F)C2(F)F)=C1	REAL300020177780	1	40	-1.0	-42.82	349.09	8.29	-34.53
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN=C(C(F)(F)F)S1	REAL300020177781	0	29	-1.0	-35.58	290.00	3.79	-31.79
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN=C(C(F)(F)F)S1	REAL300020177781	1	29	-1.0	-35.58	289.96	3.79	-31.79
COC1=CC=C2NN=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C2=C1	REAL300020177782	0	37	-1.0	-49.00	318.82	3.41	-45.59
COC1=CC=C2NN=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C2=C1	REAL300020177782	1	37	-1.0	-48.94	318.86	3.41	-45.53
COC1=CC=C2NC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=C(C)C2=C1	REAL300020177783	0	41	-1.0	-40.33	342.40	5.38	-34.95
COC1=CC=C2NC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=C(C)C2=C1	REAL300020177783	1	41	-1.0	-40.31	341.43	5.36	-34.95
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C(=O)C1=CSC=C1Br	REAL300020177784	0	29	-1.0	-43.90	289.98	4.88	-39.02
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C(=O)C1=CSC=C1Br	REAL300020177784	1	29	-1.0	-43.93	290.03	4.88	-39.05
O=C(CC(C1=CC=C(F)C=C1)C(F)F)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177785	0	39	-1.0	-38.74	336.66	7.52	-31.22
O=C(CC(C1=CC=C(F)C=C1)C(F)F)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177785	1	39	-1.0	-38.75	336.72	7.52	-31.23
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CCN(CC(F)(F)F)C(=O)C1	REAL300020177786	0	40	-1.0	-44.61	340.65	4.99	-39.62
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CCN(CC(F)(F)F)C(=O)C1	REAL300020177786	1	40	-1.0	-44.65	340.69	5.00	-39.65
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CSC(Br)=C1Cl	REAL300020177787	0	27	-1.0	-37.26	287.24	5.63	-31.63
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CSC(Br)=C1Cl	REAL300020177787	1	27	-1.0	-37.26	287.28	5.63	-31.63
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=C2C=CC=CN2N=N1	REAL300020177788	0	32	-1.0	-55.64	285.19	3.85	-51.79
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=C2C=CC=CN2N=N1	REAL300020177788	1	32	-1.0	-55.67	285.14	3.85	-51.82
CC1CCC(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CC1C	REAL300020177789	0	45	-1.0	-37.81	333.56	7.18	-30.63
CC1CCC(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CC1C	REAL300020177789	1	45	-1.0	-37.75	333.60	7.19	-30.56
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NC=CC2=NC=CC=C21	REAL300020177790	0	34	-1.0	-45.07	293.44	4.11	-40.96
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NC=CC2=NC=CC=C21	REAL300020177790	1	34	-1.0	-45.05	293.39	4.11	-40.94
CCN(CCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL300020177791	0	49	-1.0	-41.14	390.34	6.44	-34.70
CCN(CCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL300020177791	1	49	-1.0	-41.12	390.39	6.44	-34.68
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C(F)(F)CCN1C=CN=N1	REAL300020177792	0	35	-1.0	-42.68	314.21	3.83	-38.85
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C(F)(F)CCN1C=CN=N1	REAL300020177792	1	35	-1.0	-44.26	313.17	3.81	-40.45
CC1=CC(F)=CC=C1C(F)(F)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177793	0	36	-1.0	-38.40	316.04	6.70	-31.70
CC1=CC(F)=CC=C1C(F)(F)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177793	1	36	-1.0	-38.38	316.07	6.72	-31.66
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C(F)(F)CCN1C=CC=N1	REAL300020177794	0	36	-1.0	-40.88	320.41	5.05	-35.83
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C(F)(F)CCN1C=CC=N1	REAL300020177794	1	36	-1.0	-42.09	319.37	5.03	-37.06
O=C(CC1CCS(=O)(=O)CC1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177795	0	39	-1.0	-45.80	324.61	2.45	-43.35
O=C(CC1CCS(=O)(=O)CC1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177795	1	39	-1.0	-45.78	324.66	2.46	-43.32
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN(CC(F)F)N=C1	REAL300020177796	0	33	-1.0	-44.86	299.93	4.41	-40.45
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN(CC(F)F)N=C1	REAL300020177796	1	33	-1.0	-44.89	299.88	4.41	-40.48
CC1=CC=C(C=CCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020177797	0	40	-1.0	-39.87	338.56	8.15	-31.72
CC1=CC=C(C=CCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020177797	1	40	-1.0	-39.85	338.62	8.16	-31.69
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=C2CCS(=O)(=O)C2=CN1	REAL300020177798	0	35	-1.0	-46.65	312.71	1.18	-45.47
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=C2CCS(=O)(=O)C2=CN1	REAL300020177798	1	35	-1.0	-46.63	312.75	1.18	-45.45
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=C2CCS(=O)(=O)C2=C[N-]1	REAL300020177798	1	34	-2.0	-104.50	310.40	0.68	-103.82
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=C2CCS(=O)(=O)C2=C[N-]1	REAL300020177798	1	34	-2.0	-104.47	310.44	0.68	-103.79
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CCCN2C=NN=C12	REAL300020177799	0	36	-1.0	-53.38	298.58	6.36	-47.02
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CCCN2C=NN=C12	REAL300020177799	1	36	-1.0	-53.39	298.63	6.36	-47.03
COC1=CC(F)=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1Br	REAL300020177800	0	34	-1.0	-41.40	315.83	5.53	-35.87
COC1=CC(F)=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1Br	REAL300020177800	1	34	-1.0	-41.32	315.87	5.54	-35.78
CC(C)C1=CC=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1F	REAL300020177801	0	39	-1.0	-42.84	323.85	7.40	-35.44
CC(C)C1=CC=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1F	REAL300020177801	1	39	-1.0	-42.89	323.90	7.41	-35.48
CC(C)C1=CC=C(F)C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020177802	0	39	-1.0	-43.02	326.21	7.47	-35.55
CC(C)C1=CC=C(F)C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020177802	1	39	-1.0	-42.97	326.26	7.48	-35.49
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=C(F)C2=CC=CC=C2C=C1	REAL300020177803	0	36	-1.0	-43.80	311.22	7.80	-36.00
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=C(F)C2=CC=CC=C2C=C1	REAL300020177803	1	36	-1.0	-43.79	311.27	7.80	-35.99
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(C(F)(F)CF)C=C1	REAL300020177804	0	36	-1.0	-39.47	321.20	7.16	-32.31
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(C(F)(F)CF)C=C1	REAL300020177804	1	36	-1.0	-39.48	321.25	7.17	-32.31
CC(CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(OC(F)(F)F)C=C1	REAL300020177805	0	43	-1.0	-38.25	366.94	7.19	-31.06
CC(CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(OC(F)(F)F)C=C1	REAL300020177805	1	43	-1.0	-38.22	366.99	7.20	-31.02
COC(=O)C1=CSC2=C1NC(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)=C2	REAL300020177806	0	37	-1.0	-48.48	341.54	5.14	-43.34
COC(=O)C1=CSC2=C1NC(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)=C2	REAL300020177806	1	37	-1.0	-48.54	341.49	5.14	-43.40
COC(=O)C1=CC2=C(C=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)N2)S1	REAL300020177807	0	37	-1.0	-39.70	341.74	5.27	-34.43
COC(=O)C1=CC2=C(C=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)N2)S1	REAL300020177807	1	37	-1.0	-39.64	341.79	5.27	-34.37
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C(F)(F)C1=CN=CC=N1	REAL300020177808	0	31	-1.0	-44.09	284.29	3.25	-40.84
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C(F)(F)C1=CN=CC=N1	REAL300020177808	1	31	-1.0	-44.15	284.24	3.24	-40.91
CC(C)(C)OC(=O)CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177809	0	38	-1.0	-41.65	313.00	6.00	-35.65
CC(C)(C)OC(=O)CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177809	1	38	-1.0	-41.64	313.04	6.00	-35.64
COC1=CC=C(C#CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020177810	0	36	-1.0	-42.02	321.70	6.13	-35.89
COC1=CC=C(C#CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020177810	1	36	-1.0	-42.20	321.74	6.13	-36.07
CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020177811	0	53	-1.0	-41.55	412.75	5.52	-36.03
CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020177811	1	53	-1.0	-41.50	412.79	5.52	-35.98
CC(C)(C)OC(=O)NCCC(F)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177812	0	46	-1.0	-40.27	380.43	3.73	-36.54
CC(C)(C)OC(=O)NCCC(F)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177812	1	46	-1.0	-40.23	380.47	3.76	-36.47
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CCC2=C(C1)C(C(F)(F)F)=NN2	REAL300020177813	0	40	-1.0	-40.42	344.25	5.18	-35.24
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CCC2=C(C1)C(C(F)(F)F)=NN2	REAL300020177813	1	40	-1.0	-40.38	344.29	5.17	-35.21
C[C@H](C1=CC=CC=C1)N1C=CC=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177814	0	44	-1.0	-43.62	359.79	9.01	-34.61
C[C@H](C1=CC=CC=C1)N1C=CC=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177814	1	44	-1.0	-43.58	359.86	9.01	-34.57
C[C@@H](C1=CC=CC=C1)N1C=CC=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177815	0	44	-1.0	-41.31	345.05	9.52	-31.79
C[C@@H](C1=CC=CC=C1)N1C=CC=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177815	1	44	-1.0	-41.33	345.13	9.52	-31.81
COCC(OC1=CC=C(Cl)C=C1C)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177816	0	44	-1.0	-40.05	382.73	7.03	-33.02
COCC(OC1=CC=C(Cl)C=C1C)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177816	1	44	-1.0	-39.99	382.77	7.03	-32.96
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=CN=CNC2=N1	REAL300020177817	0	32	-1.0	-56.97	286.17	4.66	-52.31
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=CN=CNC2=N1	REAL300020177817	1	32	-1.0	-57.14	285.20	4.64	-52.50
CC(C)(C)C(=O)CCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177818	0	40	-1.0	-41.31	328.21	5.69	-35.62
CC(C)(C)C(=O)CCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177818	1	40	-1.0	-41.25	328.25	5.69	-35.56
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NNC(C2=CC=C3OCCOC3=C2)=C1	REAL300020177819	0	43	-1.0	-47.12	366.13	4.57	-42.55
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NNC(C2=CC=C3OCCOC3=C2)=C1	REAL300020177819	1	43	-1.0	-47.09	366.18	4.57	-42.52
CC1=NC(C#N)=CC=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177820	0	33	-1.0	-36.28	292.77	4.64	-31.64
CC1=NC(C#N)=CC=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177820	1	33	-1.0	-36.41	293.08	4.64	-31.77
O=C(CC(C1=CC=CC(F)=C1)C(F)F)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177821	0	39	-1.0	-37.56	336.33	7.58	-29.98
O=C(CC(C1=CC=CC(F)=C1)C(F)F)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177821	1	39	-1.0	-37.65	336.38	7.60	-30.05
CN1C(=O)N(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)N=C1C1CC1	REAL300020177822	0	40	-1.0	-48.73	346.02	5.91	-42.82
CN1C(=O)N(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)N=C1C1CC1	REAL300020177822	1	40	-1.0	-48.69	346.06	5.91	-42.78
CCN1C(C)=NN(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1=O	REAL300020177823	0	39	-1.0	-49.79	335.90	5.35	-44.44
CCN1C(C)=NN(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1=O	REAL300020177823	1	39	-1.0	-49.79	335.94	5.36	-44.43
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)[C@@H]1[C@H]2C[C@]1(C1=CC=C(Cl)C=C1)CC2	REAL300020177824	0	44	-1.0	-39.33	368.91	9.45	-29.88
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)[C@@H]1[C@H]2C[C@]1(C1=CC=C(Cl)C=C1)CC2	REAL300020177824	1	44	-1.0	-39.26	368.95	9.46	-29.80
CC1=CC(Cl)=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1Br	REAL300020177825	0	33	-1.0	-39.94	313.46	7.17	-32.77
CC1=CC(Cl)=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1Br	REAL300020177825	1	33	-1.0	-39.92	313.51	7.18	-32.74
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(C2CC2)=CC=N1	REAL300020177826	0	36	-1.0	-45.11	307.17	5.83	-39.28
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(C2CC2)=CC=N1	REAL300020177826	1	36	-1.0	-45.13	307.22	5.84	-39.29
NS(=O)(=O)C1=CSC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020177827	0	32	-1.0	-45.32	309.13	-0.60	-45.92
NS(=O)(=O)C1=CSC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020177827	1	32	-1.0	-45.31	309.17	-0.60	-45.91
CC(C)(C)C1=NC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)O1	REAL300020177828	0	38	-1.0	-40.73	321.99	3.04	-37.69
CC(C)(C)C1=NC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)O1	REAL300020177828	1	38	-1.0	-40.78	321.94	3.02	-37.76
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=CC=CC=C2C1	REAL300020177829	0	35	-1.0	-41.00	301.03	7.19	-33.81
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=CC=CC=C2C1	REAL300020177829	1	35	-1.0	-41.03	302.09	7.23	-33.80
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN=C2C(=C1)C=CNC2=O	REAL300020177830	0	35	-1.0	-52.66	307.36	2.89	-49.77
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN=C2C(=C1)C=CNC2=O	REAL300020177830	1	35	-1.0	-52.70	307.41	2.90	-49.80
O=C(CCCN1CC2=CC=CC=C2C1=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177831	0	44	-1.0	-50.95	371.46	7.12	-43.83
O=C(CCCN1CC2=CC=CC=C2C1=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177831	1	44	-1.0	-50.95	371.50	7.12	-43.83
CC(=O)C1=CC(Cl)=CC=C1OC(C)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177832	0	42	-1.0	-45.65	368.00	8.44	-37.21
CC(=O)C1=CC(Cl)=CC=C1OC(C)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177832	1	42	-1.0	-45.69	368.05	8.44	-37.25
CO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177833	0	50	-1.0	-38.96	394.33	2.80	-36.16
CO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177833	1	50	-1.0	-38.94	394.37	2.81	-36.13
CC(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C1CCN(C(=O)OC(C)(C)C)C1	REAL300020177834	0	53	-1.0	-40.97	411.74	6.75	-34.22
CC(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C1CCN(C(=O)OC(C)(C)C)C1	REAL300020177834	1	53	-1.0	-40.72	412.75	6.78	-33.94
CCC(C)C1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(=O)N1	REAL300020177835	0	42	-1.0	-56.87	342.18	5.34	-51.53
CCC(C)C1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(=O)N1	REAL300020177835	1	42	-1.0	-56.86	342.25	5.33	-51.53
CC1=CC(C(C)(C)C)=CC=C1OC(C)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177836	0	52	-1.0	-40.00	410.28	9.62	-30.38
CC1=CC(C(C)(C)C)=CC=C1OC(C)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177836	1	52	-1.0	-39.98	410.32	9.62	-30.36
CC1=CC(Cl)=CC=C1O[C@@H](C)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177837	0	40	-1.0	-38.48	350.16	7.85	-30.63
CC1=CC(Cl)=CC=C1O[C@@H](C)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177837	1	40	-1.0	-38.16	349.44	7.86	-30.30
CC1=CC=C(OC(C)C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(C)=C1	REAL300020177838	0	43	-1.0	-40.33	355.52	7.96	-32.37
CC1=CC=C(OC(C)C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(C)=C1	REAL300020177838	1	43	-1.0	-40.34	355.56	7.96	-32.38
O=C(CN1C(=O)NC2(CCOCC2)C1=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177839	0	43	-1.0	-45.25	357.22	1.74	-43.51
O=C(CN1C(=O)NC2(CCOCC2)C1=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177839	1	43	-1.0	-45.27	357.27	1.74	-43.53
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC2=CC(Cl)=CC=C21	REAL300020177840	0	36	-1.0	-40.12	319.72	8.25	-31.87
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC2=CC(Cl)=CC=C21	REAL300020177840	1	36	-1.0	-40.10	319.77	8.25	-31.85
O=C(CC1CCC2=CC(Br)=CC=C21)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177841	0	40	-1.0	-39.46	343.88	8.52	-30.94
O=C(CC1CCC2=CC(Br)=CC=C21)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177841	1	40	-1.0	-37.93	344.93	8.55	-29.38
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN=CC(C2=CC=C(F)C=C2)=C1	REAL300020177842	0	39	-1.0	-41.16	336.33	7.16	-34.00
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN=CC(C2=CC=C(F)C=C2)=C1	REAL300020177842	1	39	-1.0	-41.19	336.29	7.16	-34.03
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=C(Cl)SC2=C1SN=N2	REAL300020177843	0	28	-1.0	-38.64	296.74	3.79	-34.85
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=C(Cl)SC2=C1SN=N2	REAL300020177843	1	28	-1.0	-38.66	296.70	3.79	-34.87
COC(=O)C1=COC2=C1NC(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)=C2	REAL300020177844	0	37	-1.0	-48.20	332.88	4.27	-43.93
COC(=O)C1=COC2=C1NC(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)=C2	REAL300020177844	1	37	-1.0	-48.17	332.93	4.27	-43.90
COC(=O)C1=COC2=C1[N-]C(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)=C2	REAL300020177844	1	36	-2.0	-112.48	330.60	3.81	-108.67
COC(=O)C1=COC2=C1[N-]C(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)=C2	REAL300020177844	1	36	-2.0	-112.45	330.65	3.82	-108.63
COC(=O)C1=CC(C)=C2C=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)NC2=C1	REAL300020177845	0	43	-1.0	-42.47	370.68	6.68	-35.79
COC(=O)C1=CC(C)=C2C=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)NC2=C1	REAL300020177845	1	43	-1.0	-42.37	369.69	6.66	-35.71
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)N=C(C2=NNC=N2)S1	REAL300020177846	0	35	-1.0	-53.79	321.51	4.15	-49.64
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)N=C(C2=NNC=N2)S1	REAL300020177846	1	35	-1.0	-53.75	321.55	4.17	-49.58
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(CC2=CC=CC=C2)=CN1	REAL300020177847	0	41	-1.0	-41.19	350.88	7.71	-33.48
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(CC2=CC=CC=C2)=CN1	REAL300020177847	1	41	-1.0	-40.73	351.91	7.74	-32.99
COC(=O)C1=CC=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1C	REAL300020177848	0	39	-1.0	-41.03	325.42	6.65	-34.38
COC(=O)C1=CC=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1C	REAL300020177848	1	39	-1.0	-41.03	325.47	6.66	-34.37
C=CCCC(CC(C)C)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177849	0	45	-1.0	-38.79	352.69	7.76	-31.03
C=CCCC(CC(C)C)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177849	1	45	-1.0	-38.84	352.73	7.78	-31.06
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C2NC(C3=CC=CC=C3)=NC2=C1	REAL300020177850	0	43	-1.0	-44.86	366.70	8.05	-36.81
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CC(C)N1C=CC2=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=CC=C21	REAL300020177866	0	43	-1.0	-46.29	351.96	8.57	-37.72
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CC(C)(C)OC(=O)NCC1=CC=NC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020177876	0	49	-1.0	-47.04	405.70	4.17	-42.87
CC(C)(C)OC(=O)NCC1=CC=NC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020177876	1	49	-1.0	-46.96	405.75	4.18	-42.78
CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020177877	0	53	-1.0	-41.19	412.19	5.50	-35.69
CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020177877	1	53	-1.0	-41.22	412.23	5.50	-35.72
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(Cl)C(F)=C1F	REAL300020177878	0	30	-1.0	-36.83	288.49	6.12	-30.71
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(Cl)C(F)=C1F	REAL300020177878	1	30	-1.0	-36.86	288.54	6.12	-30.74
COC(=O)CC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020177879	0	39	-1.0	-45.55	338.44	6.93	-38.62
COC(=O)CC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020177879	1	39	-1.0	-45.56	338.48	6.93	-38.63
NC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C(F)C(F)=C1F	REAL300020177880	0	32	-1.0	-36.11	289.71	3.89	-32.22
NC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C(F)C(F)=C1F	REAL300020177880	1	32	-1.0	-36.09	289.75	3.89	-32.20
CC(C)(C)OC(=O)N1CCC[C@H](CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020177881	0	53	-1.0	-45.30	408.85	7.09	-38.21
CC(C)(C)OC(=O)N1CCC[C@H](CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020177881	1	53	-1.0	-45.28	408.90	7.11	-38.17
CC(C)(C)OC(=O)N1CCC1(C)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177882	0	47	-1.0	-50.94	373.34	5.67	-45.27
CC(C)(C)OC(=O)N1CCC1(C)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177882	1	47	-1.0	-50.92	373.41	5.68	-45.24
CC(C)(C)CC(NC(=O)OC(C)(C)C)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177883	0	55	-1.0	-39.06	407.51	6.87	-32.19
CC(C)(C)CC(NC(=O)OC(C)(C)C)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177883	1	55	-1.0	-39.05	407.56	6.88	-32.17
CC(C)(C)OC(=O)NCC1=NC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CO1	REAL300020177884	0	46	-1.0	-46.39	388.00	0.58	-45.81
CC(C)(C)OC(=O)NCC1=NC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CO1	REAL300020177884	1	46	-1.0	-46.44	388.04	0.58	-45.86
CN(C)C1=CC=C(Br)C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020177885	0	38	-1.0	-41.50	330.23	6.54	-34.96
CN(C)C1=CC=C(Br)C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020177885	1	38	-1.0	-41.51	330.27	6.54	-34.97
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C2C(=C1)CCCS2(=O)=O	REAL300020177886	0	40	-1.0	-52.84	342.70	4.02	-48.82
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C2C(=C1)CCCS2(=O)=O	REAL300020177886	1	40	-1.0	-52.83	342.75	4.03	-48.80
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O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NN2CC(F)CC2=C1	REAL300020177887	1	34	-1.0	-47.20	297.50	4.18	-43.02
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=C(N1)C(Br)=CO2	REAL300020177888	0	31	-1.0	-39.85	297.39	4.12	-35.73
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CC1=CC2=C(C=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)N2)O1	REAL300020177889	0	34	-1.0	-40.84	297.59	4.32	-36.52
CC1=CC2=C(C=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)N2)O1	REAL300020177889	1	34	-1.0	-40.80	297.63	4.32	-36.48
CC(C)C1=CNC2=CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=NC2=C1	REAL300020177890	0	42	-1.0	-64.22	350.40	5.49	-58.73
CC(C)C1=CNC2=CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=NC2=C1	REAL300020177890	1	42	-1.0	-64.20	350.45	5.49	-58.71
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NC2=CC(Br)=CNC2=N1	REAL300020177891	0	32	-1.0	-61.85	306.43	4.07	-57.78
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NC2=CC(Br)=CNC2=N1	REAL300020177891	1	32	-1.0	-61.83	306.47	4.07	-57.76
CCOCCC(NC(=O)OC(C)(C)C)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177892	0	53	-1.0	-42.63	420.07	4.45	-38.18
CCOCCC(NC(=O)OC(C)(C)C)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177892	1	53	-1.0	-42.55	420.11	4.45	-38.10
C#CCC1(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CCN(C(=O)OC(C)(C)C)C1	REAL300020177893	0	52	-1.0	-54.19	413.78	7.41	-46.78
C#CCC1(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CCN(C(=O)OC(C)(C)C)C1	REAL300020177893	1	52	-1.0	-54.16	413.83	7.41	-46.75
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)[C@@H]1C[C@H]1C1=CC=CC=C1Br	REAL300020177894	0	37	-1.0	-40.25	331.31	7.98	-32.27
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)[C@@H]1C[C@H]1C1=CC=CC=C1Br	REAL300020177894	1	37	-1.0	-40.16	331.35	7.98	-32.18
CN1N=CC=C1C(NC(=O)OC(C)(C)C)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177895	0	50	-1.0	-41.99	403.97	4.78	-37.21
CN1N=CC=C1C(NC(=O)OC(C)(C)C)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177895	1	50	-1.0	-41.95	404.01	4.78	-37.17
C=CCN(CCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL300020177896	0	50	-1.0	-41.28	403.78	6.99	-34.29
C=CCN(CCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL300020177896	1	50	-1.0	-41.27	403.82	6.99	-34.28
CC(C)CC(ONC(=O)OC(C)(C)C)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177897	0	53	-1.0	-42.73	416.97	6.96	-35.77
CC(C)CC(ONC(=O)OC(C)(C)C)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177897	1	53	-1.0	-42.73	417.01	6.97	-35.76
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=CC2=CC=CC=C21	REAL300020177898	0	39	-1.0	-42.58	319.38	8.32	-34.26
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=CC2=CC=CC=C21	REAL300020177898	1	39	-1.0	-42.58	319.43	8.32	-34.26
COC1=CC=CC(CCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=N1	REAL300020177899	0	39	-1.0	-42.63	333.91	3.72	-38.91
COC1=CC=CC(CCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=N1	REAL300020177899	1	39	-1.0	-42.60	333.95	3.73	-38.87
CN1N=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C2=C1CCOC2	REAL300020177900	0	38	-1.0	-48.76	319.15	3.25	-45.51
CN1N=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C2=C1CCOC2	REAL300020177900	1	38	-1.0	-48.70	319.20	3.24	-45.46
CC1=CC=CC([C@@H](C)C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020177901	0	39	-1.0	-39.26	322.72	7.34	-31.92
CC1=CC=CC([C@@H](C)C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020177901	1	39	-1.0	-39.30	322.76	7.34	-31.96
COC1=CC(C)=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=N1	REAL300020177902	0	36	-1.0	-39.98	304.69	2.90	-37.08
COC1=CC(C)=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=N1	REAL300020177902	1	36	-1.0	-39.97	304.74	2.90	-37.07
CN1C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC2=C1C=CS2	REAL300020177903	0	34	-1.0	-40.35	298.51	6.37	-33.98
CN1C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC2=C1C=CS2	REAL300020177903	1	34	-1.0	-40.26	298.54	6.37	-33.89
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=NN1CC(F)F	REAL300020177904	0	36	-1.0	-42.12	316.48	4.81	-37.31
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=NN1CC(F)F	REAL300020177904	1	36	-1.0	-42.08	316.52	4.82	-37.26
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=NN1C1CCC1	REAL300020177905	0	40	-1.0	-44.15	330.16	5.92	-38.23
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=NN1C1CCC1	REAL300020177905	1	40	-1.0	-44.16	330.20	5.93	-38.23
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=C2CCCCC2=CN1	REAL300020177906	0	38	-1.0	-40.73	309.39	5.75	-34.98
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=C2CCCCC2=CN1	REAL300020177906	1	38	-1.0	-40.76	309.44	5.76	-35.00
COCCOCC=CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177907	0	38	-1.0	-42.23	328.53	3.06	-39.17
COCCOCC=CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177907	1	38	-1.0	-42.24	328.57	3.06	-39.18
CC(C)(C)OC(=O)NC[C@@H]1C[C@H](C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CO1	REAL300020177908	0	51	-1.0	-41.13	408.54	3.07	-38.06
CC(C)(C)OC(=O)NC[C@@H]1C[C@H](C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CO1	REAL300020177908	1	51	-1.0	-41.14	408.58	3.07	-38.07
CC(C)(C)OC(=O)NC(CC1=CNN=C1)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177909	0	50	-1.0	-41.77	398.18	2.94	-38.83
CC(C)(C)OC(=O)NC(CC1=CNN=C1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177909	1	50	-1.0	-39.17	399.19	2.96	-36.21
COC1(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CN(C(=O)OC(C)(C)C)C1	REAL300020177910	0	48	-1.0	-41.86	388.33	3.41	-38.45
COC1(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CN(C(=O)OC(C)(C)C)C1	REAL300020177910	1	48	-1.0	-41.78	388.13	3.42	-38.36
CC1=NN(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(C)=C1C	REAL300020177911	0	39	-1.0	-44.08	326.71	5.18	-38.90
CC1=NN(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(C)=C1C	REAL300020177911	1	39	-1.0	-41.49	327.76	5.20	-36.29
CC(=O)C1=NC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CS1	REAL300020177912	0	31	-1.0	-55.67	292.89	3.03	-52.64
CC(=O)C1=NC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CS1	REAL300020177912	1	31	-1.0	-55.62	292.93	3.03	-52.59
COC1=NN(C)C(Br)=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177913	0	34	-1.0	-45.62	321.65	1.59	-44.03
COC1=NN(C)C(Br)=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177913	1	34	-1.0	-45.66	321.60	1.57	-44.09
CC(=O)NC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(F)=C1	REAL300020177914	0	37	-1.0	-48.38	321.27	4.42	-43.96
CC(=O)NC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(F)=C1	REAL300020177914	1	37	-1.0	-48.38	321.33	4.43	-43.95
O=C(CC1=CC(C(F)(F)F)=CO1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177915	0	33	-1.0	-39.41	306.76	5.34	-34.07
O=C(CC1=CC(C(F)(F)F)=CO1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177915	1	33	-1.0	-39.38	306.81	5.34	-34.04
CS(=O)(=O)C1(C2=CC=CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=C2)CC1	REAL300020177916	0	43	-1.0	-44.21	371.08	5.06	-39.15
CS(=O)(=O)C1(C2=CC=CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=C2)CC1	REAL300020177916	1	43	-1.0	-44.15	371.12	5.07	-39.08
CC1=C2C=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)SC2=C(C)S1	REAL300020177917	0	36	-1.0	-45.09	335.34	7.45	-37.64
CC1=C2C=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)SC2=C(C)S1	REAL300020177917	1	36	-1.0	-45.13	335.38	7.45	-37.68
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN2N=CC=C2C=C1	REAL300020177918	0	33	-1.0	-40.24	288.67	5.26	-34.98
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN2N=CC=C2C=C1	REAL300020177918	1	33	-1.0	-40.28	288.63	5.26	-35.02
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CCCC2=NN=CN21	REAL300020177919	0	36	-1.0	-42.97	295.04	6.29	-36.68
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CCCC2=NN=CN21	REAL300020177919	1	36	-1.0	-42.94	295.08	6.30	-36.64
CC1(C)CCCC(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)O1	REAL300020177920	0	43	-1.0	-41.82	334.97	6.15	-35.67
CC1(C)CCCC(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)O1	REAL300020177920	1	43	-1.0	-41.79	335.02	6.16	-35.63
COC(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CN=C1	REAL300020177921	0	36	-1.0	-39.27	312.41	4.39	-34.88
COC(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CN=C1	REAL300020177921	1	36	-1.0	-39.30	312.36	4.39	-34.91
CCN1C(=O)CCC1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177922	0	37	-1.0	-40.07	310.49	4.59	-35.48
CCN1C(=O)CCC1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177922	1	37	-1.0	-40.02	310.54	4.59	-35.43
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=C2SC(Cl)=C(Cl)C2=CC=C1	REAL300020177923	0	33	-1.0	-37.63	328.73	7.93	-29.70
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=C2SC(Cl)=C(Cl)C2=CC=C1	REAL300020177923	1	33	-1.0	-37.60	328.77	7.93	-29.67
C[C@]12CCCN1S(=O)(=O)[C@H](C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C2	REAL300020177924	0	42	-1.0	-45.32	337.10	2.57	-42.75
C[C@]12CCCN1S(=O)(=O)[C@H](C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C2	REAL300020177924	1	42	-1.0	-45.25	337.15	2.57	-42.68
O=C(CN1C=CC2=CC(F)=CC=C21)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177925	0	37	-1.0	-40.46	324.77	7.69	-32.77
O=C(CN1C=CC2=CC(F)=CC=C21)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177925	1	37	-1.0	-40.45	324.82	7.68	-32.77
CC1(C)CC(=O)C2=C(C1)OC(=O)C(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)=C2	REAL300020177926	0	44	-1.0	-54.08	364.26	7.30	-46.78
CC1(C)CC(=O)C2=C(C1)OC(=O)C(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)=C2	REAL300020177926	1	44	-1.0	-54.06	364.31	7.30	-46.76
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=C(CCCC2=O)OC1=O	REAL300020177927	0	38	-1.0	-55.62	327.18	6.34	-49.28
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=C(CCCC2=O)OC1=O	REAL300020177927	1	38	-1.0	-55.58	327.23	6.34	-49.24
COC1=CC2=NC=CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=C2C=C1	REAL300020177928	0	39	-1.0	-40.16	326.08	5.15	-35.01
COC1=CC2=NC=CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=C2C=C1	REAL300020177928	1	39	-1.0	-40.18	326.03	5.15	-35.03
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=NC2=C1CCC2	REAL300020177929	0	36	-1.0	-40.53	299.36	5.55	-34.98
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=NC2=C1CCC2	REAL300020177929	1	36	-1.0	-40.54	299.40	5.55	-34.99
CCSC1CCC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CC1	REAL300020177930	0	43	-1.0	-39.15	343.55	7.50	-31.65
CCSC1CCC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CC1	REAL300020177930	1	43	-1.0	-39.18	343.60	7.50	-31.68
CC1=CC(CCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC(C)=N1	REAL300020177931	0	41	-1.0	-40.08	345.63	6.41	-33.67
CC1=CC(CCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC(C)=N1	REAL300020177931	1	41	-1.0	-40.09	345.67	6.42	-33.67
CC1=CC2=CC=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C2C=C1	REAL300020177932	0	39	-1.0	-42.30	328.91	8.40	-33.90
CC1=CC2=CC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=C2C=C1	REAL300020177932	1	39	-1.0	-42.23	328.96	8.40	-33.83
O=C(CCC1=CC=CC(=O)N1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177933	0	36	-1.0	-45.80	312.16	3.75	-42.05
O=C(CCC1=CC=CC(=O)N1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177933	1	36	-1.0	-45.80	312.21	3.76	-42.04
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CSC(Cl)=C1Cl	REAL300020177934	0	27	-1.0	-37.37	282.83	5.52	-31.85
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CSC(Cl)=C1Cl	REAL300020177934	1	27	-1.0	-37.33	282.87	5.53	-31.80
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC(N2CCOCC2=O)=C1	REAL300020177935	0	42	-1.0	-44.86	352.85	4.86	-40.00
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC(N2CCOCC2=O)=C1	REAL300020177935	1	42	-1.0	-44.86	352.90	4.87	-39.99
CC1=NN(C2CCC2)C=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177936	0	40	-1.0	-40.05	329.95	5.81	-34.24
CC1=NN(C2CCC2)C=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177936	1	40	-1.0	-40.01	330.00	5.82	-34.19
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN(C2=CC=CC(F)=C2)N=C1	REAL300020177937	0	37	-1.0	-41.54	328.93	6.70	-34.84
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN(C2=CC=CC(F)=C2)N=C1	REAL300020177937	1	37	-1.0	-41.59	328.88	6.69	-34.90
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CNC=C1Br	REAL300020177938	0	28	-1.0	-42.24	268.23	3.96	-38.28
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CNC=C1Br	REAL300020177938	1	28	-1.0	-42.24	268.27	3.97	-38.27
O=C(CCNC(=O)C1=CC=CC(Cl)=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177939	0	40	-1.0	-44.96	358.33	5.09	-39.87
O=C(CCNC(=O)C1=CC=CC(Cl)=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177939	1	40	-1.0	-44.97	358.37	5.09	-39.88
CCC1=C(C)SC=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177940	0	36	-1.0	-40.79	311.27	6.59	-34.20
CCC1=C(C)SC=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177940	1	36	-1.0	-40.75	311.31	6.59	-34.16
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CC(OC(F)(F)F)C1	REAL300020177941	0	34	-1.0	-37.59	304.11	3.99	-33.60
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CC(OC(F)(F)F)C1	REAL300020177941	1	34	-1.0	-37.59	304.15	4.00	-33.59
CS(=O)(=O)C1=COC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020177942	0	33	-1.0	-48.24	308.80	0.95	-47.29
CS(=O)(=O)C1=COC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020177942	1	33	-1.0	-48.27	308.85	0.95	-47.32
O=C(CC1=CC=C2COCCC2=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177943	0	41	-1.0	-40.82	338.84	6.22	-34.60
O=C(CC1=CC=C2COCCC2=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177943	1	41	-1.0	-40.79	338.89	6.22	-34.57
O=C(CC1=CC=C2CCOCC2=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177944	0	41	-1.0	-40.98	338.84	6.22	-34.76
O=C(CC1=CC=C2CCOCC2=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177944	1	41	-1.0	-40.96	338.88	6.22	-34.74
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN=CC(C2=CC=CC(F)=C2)=C1	REAL300020177945	0	39	-1.0	-41.04	337.33	7.18	-33.86
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN=CC(C2=CC=CC(F)=C2)=C1	REAL300020177945	1	39	-1.0	-41.13	337.29	7.18	-33.95
CC1=NC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=C1Br	REAL300020177946	0	32	-1.0	-42.27	298.46	4.88	-37.39
CC1=NC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC=C1Br	REAL300020177946	1	32	-1.0	-42.23	298.51	4.88	-37.35
COC1=CC(Br)=CN=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177947	0	33	-1.0	-45.15	307.57	4.82	-40.33
COC1=CC(Br)=CN=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177947	1	33	-1.0	-45.14	307.53	4.82	-40.32
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C2C(=C1)C(=O)CCS2(=O)=O	REAL300020177948	0	39	-1.0	-49.97	344.70	3.13	-46.84
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C2C(=C1)C(=O)CCS2(=O)=O	REAL300020177948	1	39	-1.0	-49.99	344.74	3.13	-46.86
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CCOC(=O)CC1	REAL300020177949	0	36	-1.0	-40.19	294.66	4.88	-35.31
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CCOC(=O)CC1	REAL300020177949	1	36	-1.0	-40.17	294.70	4.90	-35.27
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C2SCCC(=O)C2=C1	REAL300020177950	0	37	-1.0	-43.48	325.92	6.77	-36.71
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C2SCCC(=O)C2=C1	REAL300020177950	1	37	-1.0	-43.42	325.97	6.77	-36.65
CCC1=CC=C(N2C=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)N=N2)C=C1	REAL300020177951	0	42	-1.0	-48.46	361.72	6.62	-41.84
CCC1=CC=C(N2C=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)N=N2)C=C1	REAL300020177951	1	42	-1.0	-48.45	361.67	6.62	-41.83
C=CCN(C)S(=O)(=O)C1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020177952	0	45	-1.0	-43.77	390.30	4.91	-38.86
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C=CCN(C)S(=O)(=O)C1=CC=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020177953	0	45	-1.0	-43.91	390.34	4.89	-39.02
C=CCN(C)S(=O)(=O)C1=CC=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020177953	1	45	-1.0	-43.90	390.38	4.90	-39.00
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O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(OC2=CC=CC=C2Cl)=CC=N1	REAL300020177955	1	40	-1.0	-43.97	363.60	7.15	-36.82
CC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CN(C)C1=O	REAL300020177956	0	36	-1.0	-42.55	306.94	4.95	-37.60
CC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CN(C)C1=O	REAL300020177956	1	36	-1.0	-42.49	306.98	4.96	-37.53
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O=C(CC1CCCC(F)(F)C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177957	1	39	-1.0	-40.55	317.13	6.56	-33.99
CC(C)CC(CCC1=CC=CC=C1)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177958	0	51	-1.0	-39.22	397.72	10.10	-29.12
CC(C)CC(CCC1=CC=CC=C1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177958	1	51	-1.0	-39.22	397.77	10.10	-29.12
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CCC1=NC2=CC(F)=CC=C2C=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177960	0	41	-1.0	-36.85	344.15	7.26	-29.59
CCC1=NC2=CC(F)=CC=C2C=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177960	1	41	-1.0	-36.85	344.18	7.27	-29.58
CC1=NN=NN1C1=CC(F)=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020177961	0	38	-1.0	-39.05	336.00	5.59	-33.46
CC1=NN=NN1C1=CC(F)=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020177961	1	38	-1.0	-39.04	336.05	5.59	-33.45
CC1(C)CCC(=O)C2=CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CC=C21	REAL300020177962	0	45	-1.0	-44.77	359.98	7.91	-36.86
CC1(C)CCC(=O)C2=CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=CC=C21	REAL300020177962	1	45	-1.0	-44.71	360.03	7.91	-36.80
CC1=CC(Cl)=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)S1	REAL300020177963	0	30	-1.0	-40.44	288.15	5.78	-34.66
CC1=CC(Cl)=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)S1	REAL300020177963	1	30	-1.0	-40.16	289.16	5.78	-34.38
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O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CCC(=O)N(C2CC2)C1	REAL300020177964	1	41	-1.0	-38.70	330.69	5.16	-33.54
O=C(CC1=CC=C(N2CCOCC2)C=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177965	0	46	-1.0	-40.76	370.13	4.99	-35.77
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O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC2=C1C(=O)NC2	REAL300020177968	1	35	-1.0	-53.51	298.12	4.35	-49.16
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CCC(=O)N(CC(F)(F)F)C1	REAL300020177969	0	40	-1.0	-40.57	339.12	4.97	-35.60
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CCC(=O)N(CC(F)(F)F)C1	REAL300020177969	1	40	-1.0	-40.56	339.17	4.97	-35.59
CCC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1Cl	REAL300020177970	0	36	-1.0	-38.35	318.07	7.32	-31.03
CCC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1Cl	REAL300020177970	1	36	-1.0	-38.30	318.12	7.32	-30.98
CC1=CN=C(N2CCOCC2)N=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177971	0	44	-1.0	-45.60	358.54	4.59	-41.01
CC1=CN=C(N2CCOCC2)N=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177971	1	44	-1.0	-45.62	358.48	4.59	-41.03
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O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=C(F)C=C2OCC(=O)NC2=C1	REAL300020177976	0	36	-1.0	-42.23	315.73	2.77	-39.46
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=C(F)C=C2OCC(=O)NC2=C1	REAL300020177976	1	36	-1.0	-42.14	315.77	2.77	-39.37
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN=C2CCCCC2=C1	REAL300020177977	0	39	-1.0	-42.19	318.47	6.13	-36.06
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN=C2CCCCC2=C1	REAL300020177977	1	39	-1.0	-42.28	319.53	6.15	-36.13
CCC1=CC=C([N+](=O)[O-])C=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177978	0	38	-1.0	-46.86	323.87	7.53	-39.33
CCC1=CC=C([N+](=O)[O-])C=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177978	1	38	-1.0	-46.79	323.91	7.53	-39.26
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CCC1C1=CC=CC=C1Cl	REAL300020177979	0	40	-1.0	-36.25	335.67	8.05	-28.20
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CCC1C1=CC=CC=C1Cl	REAL300020177979	1	40	-1.0	-36.22	335.75	8.07	-28.15
COCCN1C=CC2=CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CC=C21	REAL300020177980	0	44	-1.0	-44.59	370.77	7.18	-37.41
COCCN1C=CC2=CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=CC=C21	REAL300020177980	1	44	-1.0	-44.58	370.82	7.19	-37.39
CC(C)N1C=CC2=CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CC=C21	REAL300020177981	0	43	-1.0	-44.21	355.11	8.60	-35.61
CC(C)N1C=CC2=CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=CC=C21	REAL300020177981	1	43	-1.0	-44.15	355.15	8.60	-35.55
O=C(C=CC1=CC=C2OCOC2=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177982	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	REAL300020177982	1	37	-1.0	-41.11	322.10	5.35	-35.76
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=C(Br)C=NC=C2C=C1	REAL300020177983	0	35	-1.0	-39.95	321.24	6.49	-33.46
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=C(Br)C=NC=C2C=C1	REAL300020177983	1	35	-1.0	-39.90	321.20	6.49	-33.41
CC1(C)COCCC1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177984	0	40	-1.0	-37.96	304.75	4.31	-33.65
CC1(C)COCCC1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177984	1	40	-1.0	-37.95	304.79	4.31	-33.64
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC2=NN=CN21	REAL300020177985	0	32	-1.0	-40.10	278.73	6.43	-33.67
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC2=NN=CN21	REAL300020177985	1	32	-1.0	-40.05	278.65	6.42	-33.63
C=CCOCC(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C(C)(C)C	REAL300020177986	0	46	-1.0	-37.77	361.21	6.30	-31.47
C=CCOCC(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C(C)(C)C	REAL300020177986	1	46	-1.0	-37.74	361.25	6.30	-31.44
CC12CCCN1S(=O)(=O)C(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C2	REAL300020177987	0	42	-1.0	-52.61	334.16	2.19	-50.42
CC12CCCN1S(=O)(=O)C(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C2	REAL300020177987	1	42	-1.0	-52.63	334.21	2.19	-50.44
CN1N=CC(C(F)F)=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177988	0	33	-1.0	-36.77	296.34	4.05	-32.72
CN1N=CC(C(F)F)=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177988	1	33	-1.0	-36.81	296.07	4.04	-32.77
CC1=NN(C2CCC2)C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020177989	0	40	-1.0	-40.52	332.55	6.02	-34.50
CC1=NN(C2CCC2)C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020177989	1	40	-1.0	-40.52	332.59	6.03	-34.49
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=NN1CCC(F)(F)F	REAL300020177990	0	36	-1.0	-38.23	324.90	5.23	-33.00
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=NN1CCC(F)(F)F	REAL300020177990	1	36	-1.0	-38.25	324.86	5.23	-33.02
COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177991	0	41	-1.0	-44.28	357.94	7.42	-36.86
COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177991	1	41	-1.0	-44.25	357.98	7.43	-36.82
CC1(C)CCCOC1CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177992	0	43	-1.0	-40.87	329.82	5.81	-35.06
CC1(C)CCCOC1CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177992	1	43	-1.0	-39.28	328.85	5.78	-33.50
CN1N=CC(Cl)=C1C1=NOC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020177993	0	36	-1.0	-41.87	334.73	4.47	-37.40
CN1N=CC(Cl)=C1C1=NOC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020177993	1	36	-1.0	-41.83	334.77	4.47	-37.36
O=C(C=CC1=CC=C(Cl)C=C1F)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177994	0	34	-1.0	-38.80	318.25	7.23	-31.57
O=C(C=CC1=CC=C(Cl)C=C1F)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177994	1	34	-1.0	-38.75	318.29	7.23	-31.52
CC(=O)NC(COC(C)C)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177995	0	43	-1.0	-42.94	353.95	3.38	-39.56
CC(=O)NC(COC(C)C)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177995	1	43	-1.0	-42.89	353.99	3.39	-39.50
CC1(C)OCC(CCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)O1	REAL300020177996	0	41	-1.0	-40.32	336.87	4.31	-36.01
CC1(C)OCC(CCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)O1	REAL300020177996	1	41	-1.0	-40.31	336.91	4.30	-36.01
CCCCOC1=CC=C(C=CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020177997	0	47	-1.0	-40.69	390.28	8.49	-32.20
CCCCOC1=CC=C(C=CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020177997	1	47	-1.0	-40.65	390.32	8.49	-32.16
COC1=CC2=CC=C(CC(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C2C=C1	REAL300020177998	0	43	-1.0	-41.92	360.59	7.69	-34.23
COC1=CC2=CC=C(CC(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=C2C=C1	REAL300020177998	1	43	-1.0	-41.91	360.63	7.69	-34.22
CC(C)CC(CC1=CC=CC=C1)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020177999	0	48	-1.0	-39.68	376.65	9.43	-30.25
CC(C)CC(CC1=CC=CC=C1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020177999	1	48	-1.0	-39.66	376.70	9.44	-30.22
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C2C=COC2=C1	REAL300020178000	0	33	-1.0	-42.28	288.66	5.82	-36.46
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C2C=COC2=C1	REAL300020178000	1	33	-1.0	-42.27	288.71	5.82	-36.45
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(F)=C(Br)C(F)=C1	REAL300020178001	0	30	-1.0	-35.32	294.20	6.19	-29.13
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(F)=C(Br)C(F)=C1	REAL300020178001	1	30	-1.0	-35.36	294.24	6.19	-29.17
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)[C@@H]1C[C@H]1C1=CC=NC=C1Cl	REAL300020178002	0	36	-1.0	-39.77	322.60	6.12	-33.65
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)[C@@H]1C[C@H]1C1=CC=NC=C1Cl	REAL300020178002	1	36	-1.0	-39.74	322.64	6.13	-33.61
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NC=C(F)C2=CC=CC=C21	REAL300020178003	0	35	-1.0	-43.84	305.44	6.07	-37.77
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NC=C(F)C2=CC=CC=C21	REAL300020178003	1	35	-1.0	-43.90	305.40	6.07	-37.83
COC(=O)C1=CC=C(C=CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=N1	REAL300020178004	0	39	-1.0	-43.10	346.62	5.52	-37.58
COC(=O)C1=CC=C(C=CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=N1	REAL300020178004	1	39	-1.0	-43.05	346.66	5.53	-37.52
CC1=C(C)NC(=O)C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020178005	0	36	-1.0	-58.80	302.94	3.83	-54.97
CC1=C(C)NC(=O)C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020178005	1	36	-1.0	-58.69	302.99	3.84	-54.85
CC1=CC(C(F)(F)F)=CC=C1CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020178006	0	39	-1.0	-37.94	340.93	7.64	-30.30
CC1=CC(C(F)(F)F)=CC=C1CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020178006	1	39	-1.0	-37.91	340.97	7.64	-30.27
CC(CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(F)C(F)=C1	REAL300020178007	0	39	-1.0	-40.12	333.66	7.51	-32.61
CC(CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(F)C(F)=C1	REAL300020178007	1	39	-1.0	-40.09	333.71	7.53	-32.56
CC(C)(C)N1C=C(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=N1	REAL300020178008	0	42	-1.0	-42.51	347.91	5.94	-36.57
CC(C)(C)N1C=C(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=N1	REAL300020178008	1	42	-1.0	-42.53	347.87	5.94	-36.59
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(C2=NNC=C2)=CC=C1F	REAL300020178009	0	37	-1.0	-52.15	324.86	5.61	-46.54
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(C2=NNC=C2)=CC=C1F	REAL300020178009	1	37	-1.0	-52.14	324.90	5.61	-46.53
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(Cl)=C(F)C=C1[O-]	REAL300020178010	0	30	-2.0	-92.72	289.32	5.49	-87.23
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(Cl)=C(F)C=C1[O-]	REAL300020178010	1	30	-2.0	-92.67	289.36	5.49	-87.18
CCC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)SC(C2=NNC=N2)=N1	REAL300020178011	0	38	-1.0	-47.06	343.86	4.82	-42.24
CCC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)SC(C2=NNC=N2)=N1	REAL300020178011	1	38	-1.0	-46.97	343.91	4.82	-42.15
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(=O)N=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300020178012	0	38	-2.0	-92.08	355.96	5.08	-87.00
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(=O)N=C(C2=CC=C(Cl)C=C2)[N-]1	REAL300020178012	1	38	-2.0	-92.19	355.91	5.08	-87.11
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=C2N=CNC2=CC(Br)=C1	REAL300020178013	0	33	-1.0	-49.70	307.95	5.90	-43.80
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=C2N=CNC2=CC(Br)=C1	REAL300020178013	1	33	-1.0	-49.67	306.98	5.88	-43.79
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=C2NC=NC2=CC(Br)=C1	REAL300020178013	1	33	-1.0	-41.38	306.52	5.89	-35.49
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=C2NC=NC2=CC(Br)=C1	REAL300020178013	1	33	-1.0	-41.38	306.47	5.89	-35.49
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C2NC(C3CC3)=NC2=C1	REAL300020178014	0	40	-1.0	-44.27	339.12	6.53	-37.74
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C2NC(C3CC3)=NC2=C1	REAL300020178014	1	40	-1.0	-44.24	339.16	6.53	-37.71
CN(CC1=CC=CO1)C(=O)NCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020178015	0	42	-1.0	-46.25	359.44	3.90	-42.35
CN(CC1=CC=CO1)C(=O)NCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020178015	1	42	-1.0	-46.23	359.49	3.90	-42.33
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C2NC(C3=CC=C(F)C=C3)=NC2=C1	REAL300020178016	0	43	-1.0	-43.74	373.11	8.11	-35.63
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C2NC(C3=CC=C(F)C=C3)=NC2=C1	REAL300020178016	1	43	-1.0	-43.76	373.17	8.11	-35.65
CC1=NNC2=C1CC(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)CC2	REAL300020178017	0	40	-1.0	-39.95	325.81	4.80	-35.15
CC1=NNC2=C1CC(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)CC2	REAL300020178017	1	40	-1.0	-39.92	325.85	4.80	-35.12
CC1=C2CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)CCC2=NN1	REAL300020178017	1	40	-1.0	-40.83	324.50	4.76	-36.07
O=C(CC1=CC=C2NC(=O)CCC2=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020178018	0	41	-1.0	-41.47	344.96	5.32	-36.15
O=C(CC1=CC=C2NC(=O)CCC2=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020178018	1	41	-1.0	-41.45	345.01	5.32	-36.13
CSC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=C1[N+](=O)[O-]	REAL300020178019	0	36	-1.0	-37.64	325.24	7.03	-30.61
CSC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC=C1[N+](=O)[O-]	REAL300020178019	1	36	-1.0	-37.61	325.28	7.03	-30.58
NS(=O)(=O)C1=COC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020178020	0	32	-1.0	-46.22	302.20	-1.62	-47.84
NS(=O)(=O)C1=COC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020178020	1	32	-1.0	-46.17	302.24	-1.62	-47.79
N#CC1=CC2=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=NN2C=C1	REAL300020178021	0	34	-1.0	-44.96	309.99	5.63	-39.33
N#CC1=CC2=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=NN2C=C1	REAL300020178021	1	34	-1.0	-44.99	309.95	5.63	-39.36
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CCC2=NC(C(F)(F)F)=CN2C1	REAL300020178022	0	40	-1.0	-39.23	346.70	6.54	-32.69
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CCC2=NC(C(F)(F)F)=CN2C1	REAL300020178022	1	40	-1.0	-39.20	346.75	6.54	-32.66
C[C@H](ONC(=O)OC(C)(C)C)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020178023	0	44	-1.0	-43.97	365.87	4.26	-39.71
C[C@H](ONC(=O)OC(C)(C)C)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020178023	1	44	-1.0	-43.91	365.91	4.26	-39.65
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C(O)C1=CC=C(F)C(Cl)=C1F	REAL300020178024	0	34	-1.0	-45.06	316.15	4.78	-40.28
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C(O)C1=CC=C(F)C(Cl)=C1F	REAL300020178024	1	34	-1.0	-45.05	316.20	4.78	-40.27
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN2N=NC=C2C=C1	REAL300020178025	0	32	-1.0	-38.97	283.35	3.99	-34.98
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN2N=NC=C2C=C1	REAL300020178025	1	32	-1.0	-38.92	283.30	3.99	-34.93
C[C@@H]1CC2=C(NN=C2C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)[C@H](C)O1	REAL300020178026	0	41	-1.0	-45.56	338.30	3.39	-42.17
C[C@@H]1CC2=C(NN=C2C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)[C@H](C)O1	REAL300020178026	1	41	-1.0	-45.59	338.34	3.40	-42.19
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN(CCO)N=N1	REAL300020178027	0	33	-1.0	-48.33	295.60	-0.69	-49.02
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN(CCO)N=N1	REAL300020178027	1	33	-1.0	-48.34	295.55	-0.68	-49.02
O=C(CCC1=C(Br)C=CS1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020178028	0	33	-1.0	-38.04	316.19	6.57	-31.47
O=C(CCC1=C(Br)C=CS1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020178028	1	33	-1.0	-38.08	316.23	6.57	-31.51
O=C(CCNC1=CN=CN=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020178029	0	36	-1.0	-39.84	310.08	3.11	-36.73
O=C(CCNC1=CN=CN=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020178029	1	36	-1.0	-39.87	310.03	3.11	-36.76
O=C(CC1=C(Br)C=C2N=CNC2=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020178030	0	36	-1.0	-43.65	328.45	6.25	-37.40
O=C(CC1=C(Br)C=C2N=CNC2=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020178030	1	36	-1.0	-43.61	328.50	6.26	-37.35
O=C(CC1=C(Br)C=C2NC=NC2=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020178030	1	36	-1.0	-45.53	328.30	6.26	-39.27
O=C(CC1=C(Br)C=C2NC=NC2=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020178030	1	36	-1.0	-45.55	328.35	6.26	-39.29
CC(C)(C)OC(=O)[C@@H]1CCC[C@H](C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020178031	0	51	-1.0	-41.62	396.12	8.36	-33.26
CC(C)(C)OC(=O)[C@@H]1CCC[C@H](C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020178031	1	51	-1.0	-41.62	396.16	8.36	-33.26
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CCCC(F)(F)CC1	REAL300020178032	0	39	-1.0	-38.69	306.37	6.23	-32.46
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CCCC(F)(F)CC1	REAL300020178032	1	39	-1.0	-38.71	306.41	6.23	-32.48
O=C(C[C@@H](O)C1=CC=CC=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020178033	0	37	-1.0	-40.64	313.39	4.56	-36.08
O=C(C[C@@H](O)C1=CC=CC=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020178033	1	37	-1.0	-40.65	313.44	4.56	-36.09
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CC(C2=CC=CC=C2F)=NO1	REAL300020178034	0	38	-1.0	-45.61	333.07	6.83	-38.78
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CC(C2=CC=CC=C2F)=NO1	REAL300020178034	1	38	-1.0	-45.64	333.11	6.83	-38.81
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(C2CC2(F)F)C=C1	REAL300020178035	0	37	-1.0	-42.03	322.95	7.72	-34.31
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(C2CC2(F)F)C=C1	REAL300020178035	1	37	-1.0	-42.03	322.99	7.72	-34.31
O=C(CCCCCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)NC1=CC=CC=C1	REAL300020178036	0	49	-1.0	-46.80	405.05	7.57	-39.23
O=C(CCCCCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)NC1=CC=CC=C1	REAL300020178036	1	49	-1.0	-46.84	405.10	7.57	-39.27
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CCC2=CC=NN2C1	REAL300020178037	0	37	-1.0	-43.60	305.68	4.69	-38.91
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CCC2=CC=NN2C1	REAL300020178037	1	37	-1.0	-43.55	305.72	4.71	-38.84
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=C2C=NSC2=CC=C1	REAL300020178038	0	32	-1.0	-38.74	289.19	5.53	-33.21
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=C2C=NSC2=CC=C1	REAL300020178038	1	32	-1.0	-38.79	289.14	5.53	-33.26
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC2=NON=C21	REAL300020178039	0	31	-1.0	-42.01	276.79	4.30	-37.71
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC2=NON=C21	REAL300020178039	1	31	-1.0	-41.91	277.76	4.33	-37.58
CS(=O)(=O)C1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(Cl)=C1	REAL300020178040	0	36	-1.0	-47.06	334.68	3.53	-43.53
CS(=O)(=O)C1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(Cl)=C1	REAL300020178040	1	36	-1.0	-47.02	334.73	3.53	-43.49
NC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C(F)C(Br)=C1F	REAL300020178041	0	32	-1.0	-36.17	303.40	4.41	-31.76
NC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C(F)C(Br)=C1F	REAL300020178041	1	32	-1.0	-36.18	303.44	4.42	-31.76
CC(C)(C)OC(=O)NCC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=NO1	REAL300020178042	0	46	-1.0	-45.34	388.65	3.38	-41.96
CC(C)(C)OC(=O)NCC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=NO1	REAL300020178042	1	46	-1.0	-45.33	388.69	3.38	-41.95
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NC(C2CC2)=NC=C1Cl	REAL300020178043	0	35	-1.0	-42.26	317.84	5.69	-36.57
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NC(C2CC2)=NC=C1Cl	REAL300020178043	1	35	-1.0	-42.20	317.89	5.70	-36.50
CN(C)C1=CC2=CC=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C2C=C1	REAL300020178044	0	44	-1.0	-44.18	358.90	8.12	-36.06
CN(C)C1=CC2=CC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=C2C=C1	REAL300020178044	1	44	-1.0	-44.18	358.95	8.13	-36.05
COC1(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CN(C(=O)OC(C)(C)C)C1	REAL300020178045	0	51	-1.0	-44.72	408.23	4.94	-39.78
COC1(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CN(C(=O)OC(C)(C)C)C1	REAL300020178045	1	51	-1.0	-45.00	407.26	4.90	-40.10
C#CC1=CC=C(C2CC2C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020178046	0	39	-1.0	-40.48	340.28	8.68	-31.80
C#CC1=CC=C(C2CC2C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020178046	1	39	-1.0	-40.47	340.33	8.68	-31.79
CN1N=CC2=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C(C3CC3)N=C21	REAL300020178047	0	42	-1.0	-39.09	353.16	6.59	-32.50
CN1N=CC2=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=C(C3CC3)N=C21	REAL300020178047	1	42	-1.0	-39.12	353.20	6.59	-32.53
COC1=CC=C(C=CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(OC)=C1OC	REAL300020178048	0	46	-1.0	-42.94	389.94	5.96	-36.98
COC1=CC=C(C=CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(OC)=C1OC	REAL300020178048	1	46	-1.0	-42.94	389.99	5.96	-36.98
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=C2C(=O)NCCN2N=C1	REAL300020178049	0	35	-1.0	-51.19	300.56	2.11	-49.08
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=C2C(=O)NCCN2N=C1	REAL300020178049	1	35	-1.0	-51.19	300.52	2.10	-49.09
CC=CC1=CC=C(OCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(OC)=C1	REAL300020178050	0	45	-1.0	-44.02	377.05	7.68	-36.34
CC=CC1=CC=C(OCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(OC)=C1	REAL300020178050	1	45	-1.0	-44.03	377.10	7.69	-36.34
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CC(=O)CC12CCC2	REAL300020178051	0	39	-1.0	-37.97	314.23	5.97	-32.00
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CC(=O)CC12CCC2	REAL300020178051	1	39	-1.0	-37.97	314.27	5.97	-32.00
CC1=CNC2=NC=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C12	REAL300020178052	0	36	-1.0	-45.01	309.78	5.43	-39.58
CC1=CNC2=NC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=C12	REAL300020178052	1	36	-1.0	-44.99	309.82	5.44	-39.55
CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020178053	0	54	-1.0	-39.60	406.62	6.71	-32.89
CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020178053	1	54	-1.0	-39.57	406.67	6.73	-32.84
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=C(CCOC2)N=C1Cl	REAL300020178054	0	37	-1.0	-38.71	323.14	4.17	-34.54
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=C(CCOC2)N=C1Cl	REAL300020178054	1	37	-1.0	-38.68	323.19	4.17	-34.51
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CC1=NN=C(CC2=CC=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C2)O1	REAL300020178056	0	41	-1.0	-47.75	356.40	2.87	-44.88
CC1=NN=C(CC2=CC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=C2)O1	REAL300020178056	1	41	-1.0	-47.73	356.44	2.87	-44.86
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CC1=CC2=CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=CN=C2C(F)=C1	REAL300020178060	0	38	-1.0	-45.67	330.44	6.60	-39.07
CC1=CC2=CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CN=C2C(F)=C1	REAL300020178060	1	38	-1.0	-45.71	330.40	6.60	-39.11
CN1C=C(C2=NC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=CO2)C=N1	REAL300020178061	0	36	-1.0	-51.10	325.51	1.65	-49.45
CN1C=C(C2=NC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CO2)C=N1	REAL300020178061	1	36	-1.0	-51.11	325.46	1.64	-49.47
COC1=C2C=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)NC2=C(C)C=C1	REAL300020178062	0	41	-1.0	-42.02	345.97	5.36	-36.66
COC1=C2C=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)NC2=C(C)C=C1	REAL300020178062	1	41	-1.0	-41.82	345.00	5.34	-36.48
CCCCOC1=CC=C(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020178063	0	46	-1.0	-40.04	380.49	7.96	-32.08
CCCCOC1=CC=C(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020178063	1	46	-1.0	-39.98	380.54	7.97	-32.01
COC1=NC2=CC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=C2C=C1	REAL300020178064	0	39	-1.0	-42.71	334.76	4.37	-38.34
COC1=NC2=CC=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C2C=C1	REAL300020178064	1	39	-1.0	-42.73	334.72	4.37	-38.36
CC1=CN2C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CN=C2S1	REAL300020178065	0	33	-1.0	-40.34	296.46	5.90	-34.44
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NOC(COC2=CC=C(F)C=C2)=C1	REAL300020178066	0	40	-1.0	-46.18	357.42	6.21	-39.97
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O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(Cl)=C(Cl)S1	REAL300020178067	0	27	-1.0	-35.66	286.67	5.59	-30.07
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(Cl)=C(Cl)S1	REAL300020178067	1	27	-1.0	-35.67	286.72	5.59	-30.08
CC(C)(C)C1=CC=NC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020178068	0	41	-1.0	-45.01	334.56	6.07	-38.94
CC(C)(C)C1=CC=NC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020178068	1	41	-1.0	-44.99	334.52	6.08	-38.91
COC1CC2(C1)CCC(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)CC2	REAL300020178069	0	47	-1.0	-38.71	363.82	6.32	-32.39
COC1CC2(C1)CCC(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)CC2	REAL300020178069	1	47	-1.0	-38.72	363.86	6.32	-32.40
CCCC(CCC1=CC=CC=C1)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020178070	0	48	-1.0	-40.30	381.59	9.52	-30.78
CCCC(CCC1=CC=CC=C1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020178070	1	48	-1.0	-40.23	381.64	9.53	-30.70
CCC(C)(C)C1CCC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CC1	REAL300020178071	0	51	-1.0	-37.87	369.59	8.18	-29.69
CCC(C)(C)C1CCC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CC1	REAL300020178071	1	51	-1.0	-37.90	369.63	8.19	-29.71
CC1=CC2=CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=CN=C2C=C1	REAL300020178072	0	38	-1.0	-43.63	324.21	6.52	-37.11
CC1=CC2=CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CN=C2C=C1	REAL300020178072	1	38	-1.0	-43.67	324.17	6.52	-37.15
CN1C=C(C2=CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=NO2)N=N1	REAL300020178073	0	35	-1.0	-48.63	319.07	3.09	-45.54
CN1C=C(C2=CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=NO2)N=N1	REAL300020178073	1	35	-1.0	-48.63	319.12	3.09	-45.54
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1COC2COCC21	REAL300020178074	0	36	-1.0	-41.31	288.53	1.86	-39.45
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1COC2COCC21	REAL300020178074	1	36	-1.0	-41.37	288.57	1.87	-39.50
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CCC2(CC(=O)C2)CC1	REAL300020178075	0	42	-1.0	-41.67	334.42	6.48	-35.19
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CCC2(CC(=O)C2)CC1	REAL300020178075	1	42	-1.0	-41.64	334.46	6.48	-35.16
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C2OCCC(=O)C2=C1	REAL300020178076	0	37	-1.0	-43.81	317.46	5.23	-38.58
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C2OCCC(=O)C2=C1	REAL300020178076	1	37	-1.0	-43.77	317.50	5.24	-38.53
CCC(CCC1=CC=CC=C1)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020178077	0	45	-1.0	-39.15	360.14	8.69	-30.46
CCC(CCC1=CC=CC=C1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020178077	1	45	-1.0	-39.19	360.22	8.69	-30.50
COC1(C(F)(F)C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CCCC1	REAL300020178078	0	40	-1.0	-41.08	320.75	5.73	-35.35
COC1(C(F)(F)C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CCCC1	REAL300020178078	1	40	-1.0	-41.06	320.80	5.73	-35.33
O=C(CCC1=CC=C2CCOCC2=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020178079	0	44	-1.0	-40.66	361.23	7.05	-33.61
O=C(CCC1=CC=C2CCOCC2=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020178079	1	44	-1.0	-40.65	361.28	7.06	-33.59
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CC12CCC(F)(F)CC2	REAL300020178080	0	40	-1.0	-38.82	328.39	7.06	-31.76
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CC12CCC(F)(F)CC2	REAL300020178080	1	40	-1.0	-38.83	328.43	7.07	-31.76
CC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)N=C1Br	REAL300020178081	0	32	-1.0	-46.49	298.48	4.83	-41.66
CC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)N=C1Br	REAL300020178081	1	32	-1.0	-46.51	298.44	4.83	-41.68
CN(C)C1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=C1[N+](=O)[O-]	REAL300020178082	0	40	-1.0	-37.77	342.19	6.76	-31.01
CN(C)C1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC=C1[N+](=O)[O-]	REAL300020178082	1	40	-1.0	-37.73	342.23	6.78	-30.95
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(Cl)=NC2=NC=CC=C12	REAL300020178083	0	34	-1.0	-42.01	309.95	5.32	-36.69
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(Cl)=NC2=NC=CC=C12	REAL300020178083	1	34	-1.0	-41.99	309.90	5.32	-36.67
COC(=O)C1=CSC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020178084	0	33	-1.0	-41.10	309.55	5.13	-35.97
COC(=O)C1=CSC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020178084	1	33	-1.0	-41.18	308.58	5.11	-36.07
CC(C)(C)C1=CN=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020178085	0	41	-1.0	-41.05	333.04	6.00	-35.05
CC(C)(C)C1=CN=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020178085	1	41	-1.0	-41.07	333.00	6.00	-35.07
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(OC2=CC=C(F)C=C2)S1	REAL300020178086	0	38	-1.0	-41.01	349.61	7.57	-33.44
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(OC2=CC=C(F)C=C2)S1	REAL300020178086	1	38	-1.0	-40.94	349.65	7.57	-33.37
COC1CC(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1(C)C	REAL300020178087	0	43	-1.0	-38.29	343.31	5.30	-32.99
COC1CC(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1(C)C	REAL300020178087	1	43	-1.0	-38.34	343.36	5.32	-33.02
CC(C)(C)C1=CC=NC2=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=NN21	REAL300020178088	0	44	-1.0	-50.99	359.71	6.90	-44.09
CC(C)(C)C1=CC=NC2=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=NN21	REAL300020178088	1	44	-1.0	-51.03	359.66	6.89	-44.14
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CCC2(CC2(F)F)C1	REAL300020178089	0	37	-1.0	-38.59	314.90	6.56	-32.03
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CCC2(CC2(F)F)C1	REAL300020178089	1	37	-1.0	-38.56	314.94	6.56	-32.00
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CCCC2C1C2(F)F	REAL300020178090	0	37	-1.0	-38.11	302.55	6.40	-31.71
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CCCC2C1C2(F)F	REAL300020178090	1	37	-1.0	-38.11	302.60	6.40	-31.71
C[C@H]1C2=CC=CC=C2O[C@H]1CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020178091	0	41	-1.0	-44.45	337.27	6.98	-37.47
C[C@H]1C2=CC=CC=C2O[C@H]1CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020178091	1	41	-1.0	-44.40	337.31	6.99	-37.41
O=C(CCC1=CC=CC(Br)=C1F)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020178092	0	36	-1.0	-39.61	333.57	7.59	-32.02
O=C(CCC1=CC=CC(Br)=C1F)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020178092	1	36	-1.0	-39.66	333.62	7.60	-32.06
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(C(F)F)=NN1C	REAL300020178093	0	36	-1.0	-44.72	323.19	4.51	-40.21
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(C(F)F)=NN1C	REAL300020178093	1	36	-1.0	-44.67	323.23	4.51	-40.16
COC(=O)[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020178094	0	41	-1.0	-44.87	334.75	4.76	-40.11
COC(=O)[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020178094	1	41	-1.0	-44.82	334.78	4.76	-40.06
CCC1=CC=C(C(=O)C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)S1	REAL300020178095	0	35	-1.0	-43.60	315.99	5.93	-37.67
CCC1=CC=C(C(=O)C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)S1	REAL300020178095	1	35	-1.0	-43.55	316.03	5.93	-37.62
COC1=CC(Br)=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1F	REAL300020178096	0	34	-1.0	-40.93	313.36	5.49	-35.44
COC1=CC(Br)=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1F	REAL300020178096	1	34	-1.0	-40.91	313.40	5.50	-35.41
CN1C=C(NC(=O)OC(C)(C)C)C=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020178097	0	48	-1.0	-53.52	390.03	5.15	-48.37
CN1C=C(NC(=O)OC(C)(C)C)C=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020178097	1	48	-1.0	-53.50	390.08	5.15	-48.35
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NNC(C2CCCC2)=C1	REAL300020178098	0	40	-1.0	-44.57	329.91	5.13	-39.44
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NNC(C2CCCC2)=C1	REAL300020178098	1	40	-1.0	-44.55	329.96	5.14	-39.41
CC1(C)OC2=CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CC=C2NC1=O	REAL300020178099	0	42	-1.0	-39.93	351.84	4.04	-35.89
CC1(C)OC2=CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=CC=C2NC1=O	REAL300020178099	1	42	-1.0	-39.68	350.87	4.02	-35.66
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC2=C1CCC(=O)N2	REAL300020178100	0	38	-1.0	-40.70	315.57	4.63	-36.07
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC2=C1CCC(=O)N2	REAL300020178100	1	38	-1.0	-40.67	315.61	4.64	-36.03
CN1N=CC2=NC(C(F)F)=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C21	REAL300020178101	0	38	-1.0	-40.71	331.24	4.41	-36.30
CN1N=CC2=NC(C(F)F)=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=C21	REAL300020178101	1	38	-1.0	-40.69	331.29	4.42	-36.27
COC(=O)C1=CC=CC2=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=CC=C12	REAL300020178102	0	42	-1.0	-42.40	351.31	8.18	-34.22
COC(=O)C1=CC=CC2=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=CC=C12	REAL300020178102	1	42	-1.0	-42.44	351.35	8.18	-34.26
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN=CC2=C1CCNC2=O	REAL300020178103	0	37	-1.0	-41.11	310.77	2.13	-38.98
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN=CC2=C1CCNC2=O	REAL300020178103	1	37	-1.0	-41.04	310.81	2.14	-38.90
CC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=NC=C1C(F)F	REAL300020178104	0	35	-1.0	-45.97	308.37	5.14	-40.83
CC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=NC=C1C(F)F	REAL300020178104	1	35	-1.0	-45.92	308.41	5.14	-40.78
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=C(CCCNC2=O)S1	REAL300020178105	0	38	-1.0	-43.86	331.06	3.75	-40.11
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=C(CCCNC2=O)S1	REAL300020178105	1	38	-1.0	-43.85	331.10	3.75	-40.10
CN(C)C(=O)C1=CN=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020178106	0	39	-1.0	-44.21	327.39	3.44	-40.77
CN(C)C(=O)C1=CN=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020178106	1	39	-1.0	-44.24	327.35	3.44	-40.80
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CCC2C1C2(F)F	REAL300020178107	0	34	-1.0	-39.86	291.37	5.89	-33.97
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CCC2C1C2(F)F	REAL300020178107	1	34	-1.0	-39.75	291.41	5.89	-33.86
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NC2=C(Cl)N=CC=C2C=C1	REAL300020178108	0	34	-1.0	-51.60	315.16	4.65	-46.95
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NC2=C(Cl)N=CC=C2C=C1	REAL300020178108	1	34	-1.0	-51.61	315.12	4.65	-46.96
CCOCC(NC(=O)OC(C)(C)C)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020178109	0	50	-1.0	-39.99	404.37	3.22	-36.77
CCOCC(NC(=O)OC(C)(C)C)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020178109	1	50	-1.0	-39.97	404.41	3.23	-36.74
CC(C)(C)OC(=O)N1CCC(C)(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020178110	0	53	-1.0	-44.93	409.05	6.66	-38.27
CC(C)(C)OC(=O)N1CCC(C)(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020178110	1	53	-1.0	-44.94	409.09	6.66	-38.28
CC(C)(C)OC(=O)NC1CC(C)(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020178111	0	50	-1.0	-47.12	395.97	4.72	-42.40
CC(C)(C)OC(=O)NC1CC(C)(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020178111	1	50	-1.0	-47.14	396.01	4.72	-42.42
CC(C)(C)OC(=O)NC1CC2(C[C@@H]2C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020178112	0	51	-1.0	-42.68	409.95	5.64	-37.04
CC(C)(C)OC(=O)NC1CC2(C[C@@H]2C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020178112	1	51	-1.0	-42.69	410.00	5.64	-37.05
COC1=CC=CC=C1OC(C)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020178113	0	41	-1.0	-43.70	342.19	6.28	-37.42
COC1=CC=CC=C1OC(C)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020178113	1	41	-1.0	-43.66	342.24	6.28	-37.38
CC1=C(Cl)C=NN1CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020178114	0	33	-1.0	-40.89	302.59	4.50	-36.39
CC1=C(Cl)C=NN1CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020178114	1	33	-1.0	-40.89	302.63	4.51	-36.38
CC1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1S(=O)(=O)N(C)C	REAL300020178115	0	44	-1.0	-43.51	372.73	4.44	-39.07
CC1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1S(=O)(=O)N(C)C	REAL300020178115	1	44	-1.0	-43.51	372.78	4.44	-39.07
CCC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)N2C=C(C)SC2=N1	REAL300020178116	0	39	-1.0	-39.42	333.06	7.29	-32.13
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CCC(C2CCCO2)O1	REAL300020178117	0	42	-1.0	-39.65	339.07	4.67	-34.98
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CCC(C2CCCO2)O1	REAL300020178117	1	42	-1.0	-39.65	339.11	4.68	-34.97
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(F)C(C(F)(F)F)=C1Cl	REAL300020178118	0	33	-1.0	-35.34	312.86	6.89	-28.45
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(F)C(C(F)(F)F)=C1Cl	REAL300020178118	1	33	-1.0	-35.30	312.91	6.89	-28.41
CC1=CC(F)=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL300020178119	0	35	-1.0	-45.72	309.90	6.73	-38.99
CC1=CC(F)=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL300020178119	1	35	-1.0	-45.74	309.95	6.74	-39.00
CN1N=NC2=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=CC=C21	REAL300020178120	0	35	-1.0	-50.99	304.33	4.13	-46.86
CN1N=NC2=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=CC=C21	REAL300020178120	1	35	-1.0	-50.94	304.29	4.12	-46.82
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN=C2OCCCC2=C1	REAL300020178121	0	37	-1.0	-44.31	310.30	3.01	-41.30
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN=C2OCCCC2=C1	REAL300020178121	1	37	-1.0	-44.37	310.25	3.00	-41.37
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(C2=CC=NC=C2)=NO1	REAL300020178122	0	35	-1.0	-42.07	314.40	4.69	-37.38
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(C2=CC=NC=C2)=NO1	REAL300020178122	1	35	-1.0	-41.99	314.45	4.70	-37.29
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C(F)(F)CCC1=CC=CC=C1	REAL300020178123	0	39	-1.0	-39.87	338.36	7.84	-32.03
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C(F)(F)CCC1=CC=CC=C1	REAL300020178123	1	39	-1.0	-39.41	339.41	7.86	-31.55
CC1=CC2=C(C=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)S2)S1	REAL300020178124	0	33	-1.0	-41.55	312.62	6.78	-34.77
CC1=CC2=C(C=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)S2)S1	REAL300020178124	1	33	-1.0	-41.55	312.66	6.78	-34.77
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CC=CC2=CC=CC=C21	REAL300020178125	0	38	-1.0	-40.07	316.34	7.68	-32.39
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CC=CC2=CC=CC=C21	REAL300020178125	1	38	-1.0	-40.03	316.38	7.69	-32.34
NS(=O)(=O)CC1=CC=CC=C1CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020178126	0	41	-1.0	-45.85	355.09	1.69	-44.16
NS(=O)(=O)CC1=CC=CC=C1CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020178126	1	41	-1.0	-45.83	355.13	1.69	-44.14
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=CC=C(C(F)(F)F)C=C2S1	REAL300020178127	0	36	-1.0	-40.99	339.27	7.88	-33.11
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=CC=C(C(F)(F)F)C=C2S1	REAL300020178127	1	36	-1.0	-40.98	339.32	7.88	-33.10
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN2C=NN=C2C=N1	REAL300020178128	0	31	-1.0	-44.72	278.66	5.02	-39.70
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN2C=NN=C2C=N1	REAL300020178128	1	31	-1.0	-44.73	278.61	5.02	-39.71
O=C(CC1(C2=CC=C(C(F)(F)F)C=C2)CC1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020178129	0	43	-1.0	-39.82	373.26	9.03	-30.79
O=C(CC1(C2=CC=C(C(F)(F)F)C=C2)CC1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020178129	1	43	-1.0	-39.74	370.49	8.96	-30.78
CON(CCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL300020178130	0	47	-1.0	-40.32	385.08	5.55	-34.77
CON(CCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL300020178130	1	47	-1.0	-40.31	385.12	5.55	-34.76
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=NNN=C2C(Br)=C1	REAL300020178131	0	32	-1.0	-39.42	302.61	3.35	-36.07
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=NNN=C2C(Br)=C1	REAL300020178131	1	32	-1.0	-39.38	302.66	3.36	-36.02
CC(C)(C)OC(=O)NC1=NOC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020178132	0	43	-1.0	-40.70	360.96	4.05	-36.65
CC(C)(C)OC(=O)NC1=NOC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020178132	1	43	-1.0	-40.68	361.00	4.05	-36.63
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC2=NC=CC=C12	REAL300020178133	0	35	-1.0	-41.11	297.39	5.83	-35.28
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC2=NC=CC=C12	REAL300020178133	1	35	-1.0	-41.11	297.34	5.83	-35.28
COC(=O)C1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C(F)C=N1	REAL300020178134	0	35	-1.0	-43.65	317.09	4.42	-39.23
COC(=O)C1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C(F)C=N1	REAL300020178134	1	35	-1.0	-43.66	317.05	4.42	-39.24
CC1=CC2=C(OCC2)C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020178135	0	38	-1.0	-46.31	317.84	6.84	-39.47
CC1=CC2=C(OCC2)C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020178135	1	38	-1.0	-46.25	317.88	6.84	-39.41
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=C2SC=CC2=CN=C1	REAL300020178136	0	32	-1.0	-43.74	291.26	5.09	-38.65
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=C2SC=CC2=CN=C1	REAL300020178136	1	32	-1.0	-43.74	291.21	5.09	-38.65
CC(C)C(C)C(C)CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020178137	0	44	-1.0	-37.67	330.34	6.66	-31.01
CC(C)C(C)C(C)CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020178137	1	44	-1.0	-37.66	330.39	6.66	-31.00
COC1CC2(C1)CC(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C2	REAL300020178138	0	41	-1.0	-39.79	334.12	5.26	-34.53
COC1CC2(C1)CC(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C2	REAL300020178138	1	41	-1.0	-39.80	334.17	5.26	-34.54
CC(C)OCC1=CC=CC=C1CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020178139	0	46	-1.0	-39.96	376.50	7.62	-32.34
CC(C)OCC1=CC=CC=C1CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020178139	1	46	-1.0	-40.00	376.55	7.62	-32.38
CC1(C)CCC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CO1	REAL300020178140	0	40	-1.0	-38.97	312.36	4.46	-34.51
CC1(C)CCC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CO1	REAL300020178140	1	40	-1.0	-38.98	312.40	4.48	-34.50
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)[C@@H]1C[C@H]1C1=C(Cl)C=CC=C1Cl	REAL300020178141	0	37	-1.0	-41.52	341.46	8.26	-33.26
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)[C@@H]1C[C@H]1C1=C(Cl)C=CC=C1Cl	REAL300020178141	1	37	-1.0	-41.48	341.48	8.26	-33.22
O=C(CC1CCCNC(=O)C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020178142	0	40	-1.0	-47.59	317.43	2.99	-44.60
O=C(CC1CCCNC(=O)C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020178142	1	40	-1.0	-47.57	317.47	2.99	-44.58
O=C(CN1C=C(I)C=N1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020178143	0	30	-1.0	-39.65	293.61	4.65	-35.00
O=C(CN1C=C(I)C=N1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020178143	1	30	-1.0	-39.67	293.56	4.65	-35.02
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN=C2C=C(Br)C=CN12	REAL300020178144	0	33	-1.0	-35.49	299.74	6.29	-29.20
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN=C2C=C(Br)C=CN12	REAL300020178144	1	33	-1.0	-35.50	299.71	6.30	-29.20
CN1C=NC2=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=CC=C21	REAL300020178145	0	36	-1.0	-51.96	309.43	6.96	-45.00
CN1C=NC2=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=CC=C21	REAL300020178145	1	36	-1.0	-51.94	309.38	6.96	-44.98
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NNC(C2=CC=CC=N2)=C1	REAL300020178146	0	36	-1.0	-47.71	318.30	3.70	-44.01
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NNC(C2=CC=CC=N2)=C1	REAL300020178146	1	36	-1.0	-47.74	318.35	3.71	-44.03
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN(C2CCS(=O)(=O)C2)N=C1	REAL300020178147	0	40	-1.0	-50.51	349.48	1.83	-48.68
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN(C2CCS(=O)(=O)C2)N=C1	REAL300020178147	1	40	-1.0	-50.55	349.43	1.82	-48.73
NC1=NC(Cl)=C(Cl)N=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020178148	0	30	-1.0	-39.52	295.67	1.82	-37.70
NC1=NC(Cl)=C(Cl)N=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020178148	1	30	-1.0	-39.54	295.62	1.81	-37.73
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NC2=CC=CNC2=C1	REAL300020178149	0	33	-1.0	-65.97	290.46	3.61	-62.36
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NC2=CC=CNC2=C1	REAL300020178149	1	33	-1.0	-65.96	290.50	3.61	-62.35
COC1=C(Cl)C=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C2=NC=CC=C21	REAL300020178150	0	39	-1.0	-47.03	349.53	6.35	-40.68
COC1=C(Cl)C=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C2=NC=CC=C21	REAL300020178150	1	39	-1.0	-47.05	349.48	6.34	-40.71
CN1N=CC(C(=O)OC(C)(C)C)=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020178151	0	45	-1.0	-40.42	376.15	5.97	-34.45
CN1N=CC(C(=O)OC(C)(C)C)=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020178151	1	45	-1.0	-40.31	376.16	5.99	-34.32
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CN2N=NC=C12	REAL300020178152	0	32	-1.0	-49.94	281.02	3.99	-45.95
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CN2N=NC=C12	REAL300020178152	1	32	-1.0	-49.95	280.96	3.99	-45.96
CCCCCC(C(=O)N1CCC(C2=N[N-]N=N2)CC1)C(C)C	REAL300020182529	0	50	-1.0	-41.21	361.46	6.85	-34.36
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COC1=CC=C(F)C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1F	REAL300020182555	0	37	-1.0	-47.40	316.09	4.00	-43.40
COC1=CC=C(F)C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1F	REAL300020182555	1	37	-1.0	-47.41	316.15	4.02	-43.39
CCC(CC)N1N=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020182556	0	45	-1.0	-42.76	346.92	5.34	-37.42
CCC(CC)N1N=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020182556	1	45	-1.0	-42.70	346.86	5.33	-37.37
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COC1=CC=C(Br)C(CC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020182558	0	40	-1.0	-44.98	341.90	5.23	-39.75
COC1=CC=C(Br)C(CC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020182558	1	40	-1.0	-44.98	341.95	5.25	-39.73
CC1=CC2=C(N3CCCC3C(=O)N3CCC(C4=NN=N[N-]4)CC3)N=CN=C2S1	REAL300020182559	0	49	-1.0	-47.28	391.72	6.48	-40.80
CC1=CC2=C(N3CCCC3C(=O)N3CCC(C4=N[N-]N=N4)CC3)N=CN=C2S1	REAL300020182559	1	49	-1.0	-47.27	391.66	6.46	-40.81
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O=C(C1CCCC2=NNC=C21)N1CCC(C2=NN=N[N-]2)CC1	REAL300020182560	1	40	-1.0	-44.29	313.64	3.35	-40.94
COC(=O)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)O1	REAL300020182561	0	36	-1.0	-41.04	308.08	3.53	-37.51
COC(=O)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)O1	REAL300020182561	1	36	-1.0	-41.06	308.14	3.55	-37.51
CC1=CC(F)=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1F	REAL300020182562	0	36	-1.0	-44.07	300.94	5.19	-38.88
CC1=CC(F)=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1F	REAL300020182562	1	36	-1.0	-44.08	301.00	5.20	-38.88
CCOCCC1(C(=O)N2CCC(C3=N[N-]N=N3)CC2)CCC1	REAL300020182563	0	46	-1.0	-43.24	346.94	4.44	-38.80
CCOCCC1(C(=O)N2CCC(C3=NN=N[N-]3)CC2)CCC1	REAL300020182563	1	46	-1.0	-43.26	347.00	4.45	-38.81
CCCOC1=CC=CC(CC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020182564	0	46	-1.0	-44.44	367.57	6.49	-37.95
CCCOC1=CC=CC(CC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020182564	1	46	-1.0	-44.46	367.63	6.50	-37.96
O=C(C1=CC=CC(OC2=CC=C(Cl)C=C2)=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020182565	0	43	-1.0	-44.19	365.92	7.04	-37.15
O=C(C1=CC=CC(OC2=CC=C(Cl)C=C2)=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020182565	1	43	-1.0	-44.18	365.87	7.03	-37.15
O=C(C1=CC=C(N2CCCC3=CC=CC=C32)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020182566	0	52	-1.0	-44.29	405.33	9.44	-34.85
O=C(C1=CC=C(N2CCCC3=CC=CC=C32)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020182566	1	52	-1.0	-44.32	405.39	9.46	-34.86
O=C(C1=CC=CC(OCC(F)(F)F)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020182567	0	40	-1.0	-48.68	339.63	5.08	-43.60
O=C(C1=CC=CC(OCC(F)(F)F)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020182567	1	40	-1.0	-48.65	339.69	5.10	-43.55
COCCCS(=O)(=O)NCC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020182568	0	44	-1.0	-54.30	367.82	-1.33	-55.63
COCCCS(=O)(=O)NCC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020182568	1	44	-1.0	-54.30	367.88	-1.31	-55.61
CCC(CC)N1C=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020182569	0	45	-1.0	-45.13	350.00	5.57	-39.56
CCC(CC)N1C=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020182569	1	45	-1.0	-45.13	349.95	5.56	-39.57
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N#CC1=CC=CC=C1NC(=O)CCCC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020182570	1	47	-1.0	-51.98	389.66	5.76	-46.22
CC(C)(C)C(NS(C)(=O)=O)C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020182571	0	46	-1.0	-55.64	356.16	0.25	-55.39
CC(C)(C)C(NS(C)(=O)=O)C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020182571	1	46	-1.0	-55.66	356.21	0.26	-55.40
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O=C(N1CCC(C2=NN=N[N-]2)CC1)C(F)(F)C1=CC=CC=N1	REAL300020182573	0	35	-1.0	-44.47	295.50	4.38	-40.09
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COC1=CC=C(C(C)(C)C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1OC	REAL300020182574	0	50	-1.0	-44.88	371.27	5.17	-39.71
COC1=CC=C(C(C)(C)C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1OC	REAL300020182574	1	50	-1.0	-44.91	371.33	5.19	-39.72
CC1=CC=CC(C2=CN=CC(C(=O)N3CCC(C4=NN=N[N-]4)CC3)=C2)=C1	REAL300020182575	0	45	-1.0	-43.69	360.62	6.76	-36.93
CC1=CC=CC(C2=CN=CC(C(=O)N3CCC(C4=N[N-]N=N4)CC3)=C2)=C1	REAL300020182575	1	45	-1.0	-43.67	360.56	6.75	-36.92
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COC(=O)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1F	REAL300020182576	1	39	-1.0	-44.17	329.29	5.13	-39.04
CC1(C2=CC=CC(C(=O)N3CCC(C4=N[N-]N=N4)CC3)=C2)NC(=O)NC1=O	REAL300020182577	0	45	-1.0	-50.70	365.76	1.46	-49.24
CC1(C2=CC=CC(C(=O)N3CCC(C4=NN=N[N-]4)CC3)=C2)NC(=O)NC1=O	REAL300020182577	1	45	-1.0	-50.71	365.82	1.47	-49.24
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CC1(C)C(=O)NC2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C21	REAL300020182578	1	44	-1.0	-44.93	353.78	3.96	-40.97
CC1(C)CCCC2(C1)NC(=O)N(CC(=O)N1CCC(C3=N[N-]N=N3)CC1)C2=O	REAL300020182579	0	54	-1.0	-49.10	404.49	4.95	-44.15
CC1(C)CCCC2(C1)NC(=O)N(CC(=O)N1CCC(C3=NN=N[N-]3)CC1)C2=O	REAL300020182579	1	54	-1.0	-49.11	404.55	4.97	-44.14
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CC(C)OC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=N1	REAL300020182581	0	42	-1.0	-41.61	339.61	3.03	-38.58
CC(C)OC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=N1	REAL300020182581	1	42	-1.0	-41.61	339.55	3.02	-38.59
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CC(C)CC1=NN=C([N-]C(=O)CCC(=O)N2CCC(C3=NN=N[N-]3)CC2)S1	REAL300020182586	1	49	-2.0	-91.47	409.77	3.54	-87.93
CC(C)CC1=NN=C(NC(=O)CCC(=O)N2CCC(C3=N[N-]N=N3)CC2)S1	REAL300020182586	1	50	-1.0	-51.12	412.99	4.64	-46.48
CNC(=O)C1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020182587	0	39	-1.0	-43.81	322.89	1.83	-41.98
CNC(=O)C1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020182587	1	39	-1.0	-43.81	322.83	1.81	-42.00
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CC(=O)NC1=CC=C(Cl)C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020182595	0	40	-1.0	-49.22	341.70	3.82	-45.40
CC(=O)NC1=CC=C(Cl)C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020182595	1	40	-1.0	-49.26	341.76	3.83	-45.43
CC(=O)NC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C(Cl)=C1	REAL300020182596	0	40	-1.0	-53.81	336.92	3.76	-50.05
CC(=O)NC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C(Cl)=C1	REAL300020182596	1	40	-1.0	-53.85	336.97	3.78	-50.07
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CC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C(SC2=CC=CC=C2)=N1	REAL300020182598	0	46	-1.0	-49.30	388.68	7.63	-41.67
CC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C(SC2=CC=CC=C2)=N1	REAL300020182598	1	46	-1.0	-49.27	388.74	7.65	-41.62
O=C(CCC1=NC(C2CCCC2)=NO1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020182599	0	47	-1.0	-43.12	373.01	4.14	-38.98
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CCCC(O)(CCC)CC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020182600	0	48	-1.0	-40.93	356.03	4.70	-36.23
CCCC(O)(CCC)CC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020182600	1	48	-1.0	-40.94	356.09	4.71	-36.23
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CC(C)C(=O)NC1=CC2=CC=CC=C2C=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020182602	1	52	-1.0	-44.97	410.88	7.29	-37.68
CC(C)C1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020182603	0	41	-1.0	-43.82	324.53	5.34	-38.48
CC(C)C1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020182603	1	41	-1.0	-43.80	324.58	5.36	-38.44
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CCOCCS(=O)(=O)NCC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020182605	0	44	-1.0	-51.19	368.18	-1.16	-52.35
CCOCCS(=O)(=O)NCC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020182605	1	44	-1.0	-51.15	368.23	-1.14	-52.29
CC(C)(C)OC(=O)NC1=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)N=NS1	REAL300020182606	0	45	-1.0	-40.18	368.49	2.02	-38.16
CC(C)(C)OC(=O)NC1=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)N=NS1	REAL300020182606	1	45	-1.0	-40.19	368.54	2.04	-38.15
CCC1=NNC(=O)C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1CC	REAL300020182607	0	44	-1.0	-45.58	348.37	2.75	-42.83
CCC1=NNC(=O)C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1CC	REAL300020182607	1	44	-1.0	-45.55	348.42	2.76	-42.79
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CC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1Cl	REAL300020182609	0	36	-1.0	-41.30	305.91	5.54	-35.76
CC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1Cl	REAL300020182609	1	36	-1.0	-41.28	305.97	5.55	-35.73
COC1=CC=CC(OC)=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020182610	0	41	-1.0	-48.52	332.68	3.30	-45.22
COC1=CC=CC(OC)=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020182610	1	41	-1.0	-48.56	332.74	3.32	-45.24
O=C(C1=NOC(C2=CC=C(F)C=C2)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020182611	0	39	-1.0	-41.58	332.01	6.12	-35.46
O=C(C1=NOC(C2=CC=C(F)C=C2)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020182611	1	39	-1.0	-41.59	331.95	6.10	-35.49
O=C(C1=CC=CC=C1COC1CCOCC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020182612	0	51	-1.0	-43.46	395.76	5.55	-37.91
O=C(C1=CC=CC=C1COC1CCOCC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020182612	1	51	-1.0	-43.47	395.82	5.57	-37.90
COC1=CC=C(OCC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1C	REAL300020182613	0	44	-1.0	-46.59	353.17	5.41	-41.18
COC1=CC=C(OCC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1C	REAL300020182613	1	44	-1.0	-46.59	353.22	5.43	-41.16
CCN1N=C(C(F)(F)F)C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1C(F)F	REAL300020182614	0	42	-1.0	-43.16	361.19	4.54	-38.62
CCN1N=C(C(F)(F)F)C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1C(F)F	REAL300020182614	1	42	-1.0	-43.16	361.25	4.55	-38.61
O=C(C1=CNN=C1C1=C(F)C=CC=C1F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020182615	0	40	-1.0	-52.97	343.90	4.54	-48.43
O=C(C1=CNN=C1C1=C(F)C=CC=C1F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020182615	1	40	-1.0	-53.02	343.95	4.55	-48.47
O=C(N1CCC(C2=N[N-]N=N2)CC1)C(O)(C1=CC=CC=C1)C1=CC=CC=C1	REAL300020182616	0	47	-1.0	-43.73	367.52	5.89	-37.84
O=C(N1CCC(C2=NN=N[N-]2)CC1)C(O)(C1=CC=CC=C1)C1=CC=CC=C1	REAL300020182616	1	47	-1.0	-43.76	367.58	5.90	-37.86
CC(O)(C(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=CC(C(F)(F)F)=C1	REAL300020182617	0	43	-1.0	-44.35	351.61	4.04	-40.31
CC(O)(C(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=CC(C(F)(F)F)=C1	REAL300020182617	1	43	-1.0	-44.38	351.66	4.05	-40.33
O=C(N1CCC(C2=N[N-]N=N2)CC1)C1(O)CCC[N@H+](CC2=CC=CC=C2)C1	REAL300020182618	0	53	0.0	-64.52	389.97	5.10	-59.42
O=C(N1CCC(C2=N[N-]N=N2)CC1)C1(O)CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300020182618	1	53	0.0	-54.67	389.15	5.12	-49.55
O=C(N1CCC(C2=NN=N[N-]2)CC1)C1(O)CCC[N@H+](CC2=CC=CC=C2)C1	REAL300020182618	1	53	0.0	-64.57	390.03	5.12	-59.45
O=C(N1CCC(C2=NN=N[N-]2)CC1)C1(O)CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300020182618	1	53	0.0	-54.73	389.21	5.13	-49.60
CCC(OC1CCCCC1)C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020182619	0	49	-1.0	-43.89	362.04	6.49	-37.40
CCC(OC1CCCCC1)C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020182619	1	49	-1.0	-43.87	362.10	6.51	-37.36
O=C(C1=CC=CC(N2C=CC(C(F)(F)F)=N2)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020182620	0	43	-1.0	-47.63	370.31	6.64	-40.99
O=C(C1=CC=CC(N2C=CC(C(F)(F)F)=N2)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020182620	1	43	-1.0	-47.59	370.25	6.62	-40.97
O=C(CN1C=C(C2CC2)N=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020182621	0	39	-1.0	-55.21	320.63	3.63	-51.58
O=C(CN1C=C(C2CC2)N=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020182621	1	39	-1.0	-55.22	320.68	3.64	-51.58
O=C(CCCC1=CC=CC(Br)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020182622	0	42	-1.0	-44.57	358.90	7.67	-36.90
O=C(CCCC1=CC=CC(Br)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020182622	1	42	-1.0	-44.59	358.95	7.68	-36.91
COCCC1(C(=O)N2CCC(C3=N[N-]N=N3)CC2)CCCC1	REAL300020182623	0	46	-1.0	-41.94	338.54	3.95	-37.99
COCCC1(C(=O)N2CCC(C3=NN=N[N-]3)CC2)CCCC1	REAL300020182623	1	46	-1.0	-41.99	338.60	3.97	-38.02
CCS(=O)(=O)NCC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020182624	0	37	-1.0	-52.52	312.65	-1.20	-53.72
CCS(=O)(=O)NCC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020182624	1	37	-1.0	-52.53	312.71	-1.18	-53.71
NS(=O)(=O)C1=CC=C(NC(=O)C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020182625	0	42	-1.0	-47.42	358.95	-2.15	-49.57
NS(=O)(=O)C1=CC=C(NC(=O)C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020182625	1	42	-1.0	-47.40	359.01	-2.14	-49.54
CC(C)(C)OC(=O)N[C@H](C(=O)N1CCC(C2=N[N-]N=N2)CC1)C(C)(C)C	REAL300020182626	0	55	-1.0	-39.76	396.70	4.07	-35.69
CC(C)(C)OC(=O)N[C@H](C(=O)N1CCC(C2=NN=N[N-]2)CC1)C(C)(C)C	REAL300020182626	1	55	-1.0	-39.79	396.76	4.09	-35.70
CC(C)(C)OC(=O)N(CC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=CC=C1	REAL300020182627	0	53	-1.0	-51.15	419.94	7.83	-43.32
CC(C)(C)OC(=O)N(CC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=CC=C1	REAL300020182627	1	53	-1.0	-51.18	420.00	7.85	-43.33
CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020182628	0	55	-1.0	-41.46	404.69	3.86	-37.60
CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020182628	1	55	-1.0	-41.45	404.75	3.88	-37.57
CC(C)(C)OC(=O)N1CCCC(OCC(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020182629	0	57	-1.0	-48.58	434.19	6.15	-42.43
CC(C)(C)OC(=O)N1CCCC(OCC(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020182629	1	57	-1.0	-48.63	434.25	6.17	-42.46
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O=C(CSC1=NC=CC2=CC=CC=C21)N1CCC(C2=N[N-]N=N2)CC1	REAL300020182630	1	42	-1.0	-45.36	354.61	6.61	-38.75
CC1=CC=C(C2=NC(SCC(=O)N3CCC(C4=N[N-]N=N4)CC3)=NN2)C=C1	REAL300020182631	0	46	-1.0	-47.09	392.67	6.69	-40.40
CC1=CC=C(C2=NC(SCC(=O)N3CCC(C4=NN=N[N-]4)CC3)=NN2)C=C1	REAL300020182631	1	46	-1.0	-47.14	392.73	6.70	-40.44
CC(C)C1=NN=C([N-]C(=O)CCC(=O)N2CCC(C3=N[N-]N=N3)CC2)S1	REAL300020182632	0	46	-2.0	-91.11	392.05	2.87	-88.24
CC(C)C1=NN=C([N-]C(=O)CCC(=O)N2CCC(C3=NN=N[N-]3)CC2)S1	REAL300020182632	1	46	-2.0	-91.11	392.11	2.88	-88.23
CC(C)C1=NN=C(NC(=O)CCC(=O)N2CCC(C3=N[N-]N=N3)CC2)S1	REAL300020182632	1	47	-1.0	-51.06	395.34	4.00	-47.06
CC(C)C1=NN=C(C=CC(=O)N2CCC(C3=N[N-]N=N3)CC2)O1	REAL300020182633	0	41	-1.0	-43.83	340.91	0.40	-43.43
CC(C)C1=NN=C(C=CC(=O)N2CCC(C3=NN=N[N-]3)CC2)O1	REAL300020182633	1	41	-1.0	-43.82	340.96	0.41	-43.41
CC(C)(C)OC1=CC=CC(CCC(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020182634	0	51	-1.0	-42.15	394.14	6.44	-35.71
CC(C)(C)OC1=CC=CC(CCC(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020182634	1	51	-1.0	-42.18	394.19	6.45	-35.73
CC1=CC=C(N2C=C(C(=O)N3CCC(C4=NN=N[N-]4)CC3)C(C(C)(C)C)=N2)C=C1	REAL300020182635	0	55	-1.0	-45.18	425.91	8.66	-36.52
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CC(C)(C)C1=NN(C2=CC=CC=C2)C=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020182636	0	52	-1.0	-45.29	404.59	7.98	-37.31
CC(C)(C)C1=NN(C2=CC=CC=C2)C=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020182636	1	52	-1.0	-45.28	404.53	7.96	-37.32
CC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C(Br)S1	REAL300020182637	0	33	-1.0	-43.83	302.20	4.93	-38.90
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COC1=CC=CC(OC)=C1CC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020182652	1	44	-1.0	-46.56	351.07	4.21	-42.35
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CC(C)(C)OC(=O)NC1(C(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1	REAL300020182654	0	47	-1.0	-44.80	367.46	3.82	-40.98
CC(C)(C)OC(=O)NC1(C(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020182654	1	47	-1.0	-44.81	367.52	3.84	-40.97
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CC(C)(C)C1=CC=C(CC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020182656	0	48	-1.0	-43.41	370.86	7.77	-35.64
CC(C)(C)C1=CC=C(CC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020182656	1	48	-1.0	-43.43	370.92	7.78	-35.65
CC(C)OC1=CN=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020182657	0	42	-1.0	-42.27	332.68	3.48	-38.79
CC(C)OC1=CN=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020182657	1	42	-1.0	-42.21	332.62	3.46	-38.75
CC(C)(C)OC(=O)NCC(C)(C)C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020182658	0	52	-1.0	-46.18	384.90	3.08	-43.10
CC(C)(C)OC(=O)NCC(C)(C)C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020182658	1	52	-1.0	-46.17	384.96	3.10	-43.07
CC(C)(C)OC(=O)NCC1(C(=O)N2CCC(C3=N[N-]N=N3)CC2)CCCC1	REAL300020182659	0	56	-1.0	-46.71	410.56	4.24	-42.47
CC(C)(C)OC(=O)NCC1(C(=O)N2CCC(C3=NN=N[N-]3)CC2)CCCC1	REAL300020182659	1	56	-1.0	-46.71	410.63	4.25	-42.46
CC1=NN(C)C(C)=C1OCC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020182660	0	43	-1.0	-48.30	352.43	4.36	-43.94
CC1=NN(C)C(C)=C1OCC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020182660	1	43	-1.0	-48.30	352.49	4.38	-43.92
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CS(=O)(=O)N1CCN(CC(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1	REAL300020182662	0	46	-1.0	-46.36	360.28	-1.06	-47.42
CS(=O)(=O)N1CCN(CC(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020182662	1	46	-1.0	-46.37	360.34	-1.04	-47.41
O=C(C1=CN(C2=CC=CN=C2)N=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020182663	0	39	-1.0	-45.57	324.22	3.83	-41.74
O=C(C1=CN(C2=CC=CN=C2)N=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020182663	1	39	-1.0	-45.53	324.16	3.81	-41.72
O=C(CC1=CC2=C(C=CC3=C2C=CC=C3)O1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020182664	0	45	-1.0	-50.52	369.20	8.28	-42.24
O=C(CC1=CC2=C(C=CC3=C2C=CC=C3)O1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020182664	1	45	-1.0	-50.53	369.26	8.30	-42.23
CC(C)(C)OC(=O)C1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020182665	0	48	-1.0	-49.72	378.40	7.09	-42.63
CC(C)(C)OC(=O)C1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020182665	1	48	-1.0	-49.74	378.46	7.11	-42.63
CC1CCCC(OCCCCCC(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020182666	0	58	-1.0	-43.58	435.33	8.25	-35.33
CC1CCCC(OCCCCCC(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020182666	1	58	-1.0	-43.57	435.39	8.27	-35.30
CC(C)(C)OC(=O)NCC(=O)NCC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020182667	0	50	-1.0	-44.60	398.04	0.04	-44.56
CC(C)(C)OC(=O)NCC(=O)NCC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020182667	1	50	-1.0	-44.57	398.10	0.06	-44.51
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=NN1C1CCOCC1	REAL300020182668	0	47	-1.0	-44.82	366.51	3.70	-41.12
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=NN1C1CCOCC1	REAL300020182668	1	47	-1.0	-44.83	366.56	3.71	-41.12
CN(C)CCS(=O)(=O)C1=CC=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020182669	0	50	-1.0	-49.54	400.19	3.17	-46.37
CN(C)CCS(=O)(=O)C1=CC=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020182669	1	50	-1.0	-49.52	400.24	3.19	-46.33
CC1=CN(C2=CC=CC=C2Cl)N=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020182670	0	43	-1.0	-48.88	354.69	7.29	-41.59
CC1=CN(C2=CC=CC=C2Cl)N=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020182670	1	43	-1.0	-48.86	354.63	7.28	-41.58
CCCN1N=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1C1CC1	REAL300020182671	0	46	-1.0	-42.46	360.03	5.72	-36.74
CCCN1N=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1C1CC1	REAL300020182671	1	46	-1.0	-42.47	360.09	5.74	-36.73
O=C(C(O)CCC1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020182672	0	43	-1.0	-42.94	343.17	4.69	-38.25
O=C(C(O)CCC1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020182672	1	43	-1.0	-42.96	343.23	4.71	-38.25
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COC1=CC=CC(C(O)C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020182674	0	41	-1.0	-43.10	325.85	2.46	-40.64
COC1=CC=CC(C(O)C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020182674	1	41	-1.0	-43.14	325.91	2.48	-40.66
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COC(=O)CC(C)(C)CC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020182676	0	44	-1.0	-46.69	334.05	4.89	-41.80
COC(=O)CC(C)(C)CC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020182676	1	44	-1.0	-46.72	334.11	4.90	-41.82
CN1C=NC2=CC(C(=O)N3CCC(C4=NN=N[N-]4)CC3)=CC=C21	REAL300020182677	0	39	-1.0	-52.16	317.37	5.72	-46.44
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CCN1N=CC=C1C=CC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020182678	0	40	-1.0	-44.51	327.91	4.46	-40.05
CCN1N=CC=C1C=CC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020182678	1	40	-1.0	-44.48	327.97	4.48	-40.00
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COC(=O)C1=CC=CC(CC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020182680	0	42	-1.0	-46.47	349.52	6.12	-40.35
COC(=O)C1=CC=CC(CC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020182680	1	42	-1.0	-46.51	349.58	6.13	-40.38
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CC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC(C)=C1F	REAL300020182712	0	39	-1.0	-41.99	316.89	5.76	-36.23
CC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC(C)=C1F	REAL300020182712	1	39	-1.0	-42.00	316.95	5.78	-36.22
CC(C)(C)OC(=O)N1CCC2(CC2C(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1	REAL300020182713	0	57	-1.0	-45.45	430.74	6.92	-38.53
CC(C)(C)OC(=O)N1CCC2(CC2C(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020182713	1	57	-1.0	-45.48	430.80	6.94	-38.54
CC1=C(C)NC(=O)C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020182714	0	38	-1.0	-56.55	307.23	2.85	-53.70
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COC(=O)C1=CN=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=N1	REAL300020182716	0	37	-1.0	-41.65	315.05	2.31	-39.34
COC(=O)C1=CN=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=N1	REAL300020182716	1	37	-1.0	-41.63	314.99	2.29	-39.34
CC1(CCC(=O)N2CCC(C3=N[N-]N=N3)CC2)CCC(=O)N1	REAL300020182717	0	43	-1.0	-49.19	334.94	2.57	-46.62
CC1(CCC(=O)N2CCC(C3=NN=N[N-]3)CC2)CCC(=O)N1	REAL300020182717	1	43	-1.0	-49.18	335.00	2.59	-46.59
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CC1=CC=C(Cl)C=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020182719	0	36	-1.0	-40.59	304.72	5.57	-35.02
CC1=CC=C(Cl)C=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020182719	1	36	-1.0	-40.61	304.77	5.59	-35.02
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CCCCCCCCCCC(C)(C)C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020182722	1	62	-1.0	-41.23	450.20	9.84	-31.39
CC(C)(C)OC(=O)NC1=CC=CC=C1CC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020182723	0	53	-1.0	-44.93	413.57	5.94	-38.99
CC(C)(C)OC(=O)NC1=CC=CC=C1CC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020182723	1	53	-1.0	-44.91	413.63	5.96	-38.95
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O=C(C1=NC=CN2C(Br)=CN=C12)N1CCC(C2=N[N-]N=N2)CC1	REAL300020182724	1	35	-1.0	-48.77	312.70	4.73	-44.04
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)SC(C(C)(C)C2=CC=CC=C2)=N1	REAL300020182725	0	51	-1.0	-44.15	406.81	7.77	-36.38
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)SC(C(C)(C)C2=CC=CC=C2)=N1	REAL300020182725	1	51	-1.0	-44.16	406.86	7.78	-36.38
CC(C)C(OC1=CC=CC(Cl)=C1)C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020182726	0	46	-1.0	-43.90	366.85	7.31	-36.59
CC(C)C(OC1=CC=CC(Cl)=C1)C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020182726	1	46	-1.0	-43.94	366.91	7.33	-36.61
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CC(C)[C@H]1CC[C@H](C(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1	REAL300020182728	0	48	-1.0	-40.80	350.45	6.53	-34.27
CC(C)[C@H]1CC[C@H](C(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020182728	1	48	-1.0	-40.78	350.50	6.55	-34.23
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CC(CC1=CC=C(Br)C=C1)C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020182730	0	42	-1.0	-41.35	351.56	7.14	-34.21
CC(CC1=CC=C(Br)C=C1)C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020182730	1	42	-1.0	-41.38	351.62	7.16	-34.22
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CCC1=CC=C(S(C)(=O)=O)C=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020182732	0	45	-1.0	-48.81	369.20	3.26	-45.55
CCC1=CC=C(S(C)(=O)=O)C=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020182732	1	45	-1.0	-48.81	369.26	3.27	-45.54
CC1=CC(S(C)(=O)=O)=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1C	REAL300020182733	0	45	-1.0	-48.99	366.63	3.16	-45.83
CC1=CC(S(C)(=O)=O)=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1C	REAL300020182733	1	45	-1.0	-49.00	366.69	3.17	-45.83
CC1=C2OC(C(=O)N3CCC(C4=N[N-]N=N4)CC3)=CC2=CC(Br)=C1	REAL300020182734	0	39	-1.0	-40.06	340.92	6.37	-33.69
CC1=C2OC(C(=O)N3CCC(C4=NN=N[N-]4)CC3)=CC2=CC(Br)=C1	REAL300020182734	1	39	-1.0	-40.06	340.98	6.38	-33.68
COCCOC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=NC2=CC=CC=C21	REAL300020182735	0	49	-1.0	-45.30	395.37	5.26	-40.04
COCCOC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=NC2=CC=CC=C21	REAL300020182735	1	49	-1.0	-45.26	395.32	5.24	-40.02
CCN1C=C(C(=O)C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=N1	REAL300020182736	0	38	-1.0	-43.50	314.74	3.13	-40.37
CCN1C=C(C(=O)C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=N1	REAL300020182736	1	38	-1.0	-43.52	314.79	3.15	-40.37
O=C(CCN1C=CC2=CC(Cl)=CC=C21)N1CCC(C2=N[N-]N=N2)CC1	REAL300020182737	0	43	-1.0	-43.00	365.70	7.97	-35.03
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CC(=CC1=CC=CC(Cl)=C1)C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020182738	0	40	-1.0	-41.95	339.50	6.88	-35.07
CC(=CC1=CC=CC(Cl)=C1)C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020182738	1	40	-1.0	-41.95	339.55	6.90	-35.05
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O=C(C1=C(C(F)F)N=C(C2=CC=CC=C2)S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020182739	1	42	-1.0	-44.04	370.69	6.41	-37.63
O=C(C1=CC2=CC(F)=CC=C2OC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020182740	0	39	-1.0	-41.86	326.42	5.14	-36.72
O=C(C1=CC2=CC(F)=CC=C2OC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020182740	1	39	-1.0	-41.87	326.48	5.16	-36.71
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CC1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1Cl	REAL300020182742	0	36	-1.0	-45.53	304.15	5.49	-40.04
CC1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1Cl	REAL300020182742	1	36	-1.0	-45.56	304.21	5.50	-40.06
CCC(=O)C1=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1F	REAL300020182743	0	41	-1.0	-44.88	338.11	5.81	-39.07
CCC(=O)C1=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1F	REAL300020182743	1	41	-1.0	-44.88	338.17	5.82	-39.06
CCC1=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=NC2=C1C(=O)N(C)C(=O)N2C	REAL300020182744	0	50	-1.0	-44.63	391.99	5.39	-39.24
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CC1(C)OCC(C)(C(=O)N2CCC(C3=N[N-]N=N3)CC2)CO1	REAL300020182745	0	44	-1.0	-47.60	320.84	3.07	-44.53
CC1(C)OCC(C)(C(=O)N2CCC(C3=NN=N[N-]3)CC2)CO1	REAL300020182745	1	44	-1.0	-47.61	320.90	3.08	-44.53
CCC(C)(C)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020182746	0	48	-1.0	-42.43	360.83	7.23	-35.20
CCC(C)(C)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020182746	1	48	-1.0	-42.44	360.89	7.24	-35.20
O=C(C1=CC=C(Cl)C(Br)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020182747	0	33	-1.0	-40.15	306.00	5.49	-34.66
O=C(C1=CC=C(Cl)C(Br)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020182747	1	33	-1.0	-40.20	306.06	5.51	-34.69
O=C(C1=C2N=CC(Br)=CN2N=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020182748	0	35	-1.0	-48.78	315.26	3.99	-44.79
O=C(C1=C2N=CC(Br)=CN2N=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020182748	1	35	-1.0	-48.85	315.20	3.97	-44.88
O=C(C1=CSC(C2CCCO2)=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020182749	0	40	-1.0	-42.97	333.46	3.28	-39.69
O=C(C1=CSC(C2CCCO2)=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020182749	1	40	-1.0	-42.99	333.52	3.29	-39.70
CS(=O)(=O)C1=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=CS1	REAL300020182750	0	36	-1.0	-48.10	322.99	0.97	-47.13
CS(=O)(=O)C1=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=CS1	REAL300020182750	1	36	-1.0	-48.09	323.04	0.99	-47.10
CC1=C(Br)C=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1[N+](=O)[O-]	REAL300020182751	0	38	-1.0	-42.48	329.28	6.07	-36.41
CC1=C(Br)C=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1[N+](=O)[O-]	REAL300020182751	1	38	-1.0	-42.49	329.34	6.08	-36.41
O=C(CCCCC1=CC=C(Cl)C(Cl)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020182752	0	45	-1.0	-42.96	391.02	8.80	-34.16
O=C(CCCCC1=CC=C(Cl)C(Cl)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020182752	1	45	-1.0	-42.97	391.07	8.82	-34.15
O=C(C1=NC2=CC=CC=C2S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020182753	0	35	-1.0	-43.66	302.46	4.80	-38.86
O=C(C1=NC2=CC=CC=C2S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020182753	1	35	-1.0	-43.67	302.41	4.78	-38.89
CCOC1=CC=CC=C1C(F)(F)C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020182754	0	43	-1.0	-43.43	350.70	5.74	-37.69
CCOC1=CC=CC=C1C(F)(F)C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020182754	1	43	-1.0	-43.44	350.75	5.76	-37.68
CC(=O)C1=C(C)NC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1C(C)C	REAL300020182755	0	48	-1.0	-44.30	375.89	5.52	-38.78
CC(=O)C1=C(C)NC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1C(C)C	REAL300020182755	1	48	-1.0	-44.30	375.94	5.54	-38.76
CC1=CN(CC2=CC(C(=O)N3CCC(C4=N[N-]N=N4)CC3)=NO2)N=C1	REAL300020182756	0	42	-1.0	-46.64	351.82	4.81	-41.83
CC1=CN(CC2=CC(C(=O)N3CCC(C4=NN=N[N-]4)CC3)=NO2)N=C1	REAL300020182756	1	42	-1.0	-46.62	351.88	4.83	-41.79
CNS(=O)(=O)C1=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=CO1	REAL300020182757	0	38	-1.0	-46.60	329.34	-1.32	-47.92
CNS(=O)(=O)C1=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=CO1	REAL300020182757	1	38	-1.0	-46.55	329.40	-1.30	-47.85
O=C(C1=CC=C(CC2=NN=CN2)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020182758	0	42	-1.0	-53.09	347.28	6.30	-46.79
O=C(C1=CC=C(CC2=NN=CN2)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020182758	1	42	-1.0	-53.13	347.34	6.32	-46.81
O=C(C1CC(=O)N(C2=CC=C(Cl)C(F)=C2)C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020182759	0	44	-1.0	-43.75	368.27	6.11	-37.64
O=C(C1CC(=O)N(C2=CC=C(Cl)C(F)=C2)C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020182759	1	44	-1.0	-43.75	368.33	6.13	-37.62
CC1=CC2=C(C(=O)N3CCC(C4=NN=N[N-]4)CC3)C=NN2C=C1	REAL300020182760	0	39	-1.0	-47.98	320.30	4.90	-43.08
CC1=CC2=C(C(=O)N3CCC(C4=N[N-]N=N4)CC3)C=NN2C=C1	REAL300020182760	1	39	-1.0	-47.98	320.25	4.88	-43.10
O=C(C1=NN(CCO)C(=O)CC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020182761	0	41	-1.0	-42.88	332.73	-0.29	-43.17
O=C(C1=NN(CCO)C(=O)CC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020182761	1	41	-1.0	-42.89	332.78	-0.28	-43.17
COC(=O)C1CCC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1	REAL300020182762	0	45	-1.0	-44.40	349.19	5.44	-38.96
COC(=O)C1CCC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020182762	1	45	-1.0	-44.40	349.24	5.46	-38.94
CC(C[NH+]1CCOCC1)C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020182763	0	46	0.0	-64.67	341.46	3.75	-60.92
CC(C[NH+]1CCOCC1)C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020182763	1	46	0.0	-64.69	341.52	3.76	-60.93
CC(CN1CCOCC1)C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020182763	1	45	-1.0	-42.21	342.13	1.73	-40.48
CC(CN1CCOCC1)C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020182763	1	45	-1.0	-42.19	342.19	1.75	-40.44
COC(=O)C1=CN=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020182764	0	38	-1.0	-46.16	319.66	3.22	-42.94
COC(=O)C1=CN=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020182764	1	38	-1.0	-46.11	319.60	3.20	-42.91
CN(C)S(=O)(=O)CCC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020182765	0	40	-1.0	-46.93	331.72	0.58	-46.35
CN(C)S(=O)(=O)CCC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020182765	1	40	-1.0	-46.93	331.77	0.60	-46.33
O=C(CCC(=O)N1CCC(C2=N[N-]N=N2)CC1)N1CCC(O)CC1	REAL300020182766	0	47	-1.0	-45.40	364.54	1.44	-43.96
O=C(CCC(=O)N1CCC(C2=NN=N[N-]2)CC1)N1CCC(O)CC1	REAL300020182766	1	47	-1.0	-45.41	364.60	1.46	-43.95
CN1C=C([N+](=O)[O-])C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020182767	0	35	-1.0	-51.62	296.41	4.41	-47.21
CN1C=C([N+](=O)[O-])C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020182767	1	35	-1.0	-51.63	296.35	4.39	-47.24
O=C(CCC(=O)N1CCC(C2=N[N-]N=N2)CC1)NC1=CC=C2NC(=O)NC2=N1	REAL300020182768	0	46	-1.0	-54.57	381.58	2.02	-52.55
O=C(CCC(=O)N1CCC(C2=NN=N[N-]2)CC1)NC1=CC=C2NC(=O)NC2=N1	REAL300020182768	1	46	-1.0	-54.63	381.64	2.03	-52.60
O=C(C1=CC=C(N2C=NC3=CC=CC=C32)N=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020182769	0	45	-1.0	-47.50	367.27	8.30	-39.20
O=C(C1=CC=C(N2C=NC3=CC=CC=C32)N=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020182769	1	45	-1.0	-47.50	367.21	8.28	-39.22
NS(=O)(=O)C1=CC=CC2=C(C(=O)N3CCC(C4=NN=N[N-]4)CC3)N=CC=C12	REAL300020182770	0	43	-1.0	-47.43	364.08	-0.15	-47.58
NS(=O)(=O)C1=CC=CC2=C(C(=O)N3CCC(C4=N[N-]N=N4)CC3)N=CC=C12	REAL300020182770	1	43	-1.0	-47.46	364.03	-0.17	-47.63
CC(C)(C(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=CN=C1	REAL300020182771	0	41	-1.0	-48.56	307.75	4.05	-44.51
CC(C)(C(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=CN=C1	REAL300020182771	1	41	-1.0	-48.60	307.69	4.03	-44.57
O=C(C1=CC(I)=CC=C1O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020182772	0	34	-1.0	-42.58	308.78	2.97	-39.61
O=C(C1=CC(I)=CC=C1O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020182772	1	34	-1.0	-42.60	308.84	2.98	-39.62
O=C(C1=CC(I)=CC=C1[O-])N1CCC(C2=N[N-]N=N2)CC1	REAL300020182772	1	33	-2.0	-98.39	305.31	3.76	-94.63
O=C(C1=CC(I)=CC=C1[O-])N1CCC(C2=NN=N[N-]2)CC1	REAL300020182772	1	33	-2.0	-98.42	305.36	3.78	-94.64
O=C(C1=CC([N+](=O)[O-])=CC=C1[O-])N1CCC(C2=N[N-]N=N2)CC1	REAL300020182773	0	35	-2.0	-89.55	305.69	3.34	-86.21
O=C(C1=CC([N+](=O)[O-])=CC=C1[O-])N1CCC(C2=NN=N[N-]2)CC1	REAL300020182773	1	35	-2.0	-89.52	305.75	3.36	-86.16
O=C(C1=CC=C(Br)C=C1O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020182774	0	34	-1.0	-43.64	302.37	2.49	-41.15
O=C(C1=CC=C(Br)C=C1O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020182774	1	34	-1.0	-43.67	302.43	2.50	-41.17
O=C(C1=CC=C(Br)C=C1[O-])N1CCC(C2=N[N-]N=N2)CC1	REAL300020182774	1	33	-2.0	-100.52	298.80	3.29	-97.23
O=C(C1=CC=C(Br)C=C1[O-])N1CCC(C2=NN=N[N-]2)CC1	REAL300020182774	1	33	-2.0	-100.54	298.86	3.31	-97.23
O=C(C1=CC2=C(C=C1O)OCO2)N1CCC(C2=N[N-]N=N2)CC1	REAL300020182775	0	37	-1.0	-43.90	307.12	0.51	-43.39
O=C(C1=CC2=C(C=C1O)OCO2)N1CCC(C2=NN=N[N-]2)CC1	REAL300020182775	1	37	-1.0	-43.83	307.18	0.53	-43.30
CCC1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1O	REAL300020182776	0	40	-1.0	-45.38	322.70	3.34	-42.04
CCC1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1O	REAL300020182776	1	40	-1.0	-45.39	322.76	3.35	-42.04
O=C(C1=C([O-])C2=CC=CC=C2C(Cl)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020182777	0	39	-2.0	-100.24	334.42	6.31	-93.93
O=C(C1=C([O-])C2=CC=CC=C2C(Cl)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020182777	1	39	-2.0	-100.23	334.48	6.32	-93.91
O=C(C1=C(O)C2=CC=CC=C2C(Cl)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020182777	1	40	-1.0	-44.15	337.95	5.36	-38.79
O=C(C1=C(O)C2=CC=CC=C2C(Cl)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020182777	1	40	-1.0	-44.21	338.01	5.38	-38.83
CC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C(O)=C1O	REAL300020182778	0	38	-1.0	-48.37	312.90	0.61	-47.76
CC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C(O)=C1O	REAL300020182778	1	38	-1.0	-48.39	312.95	0.62	-47.77
CC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C(O)=C1C	REAL300020182779	0	40	-1.0	-45.86	319.82	3.24	-42.62
CC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C(O)=C1C	REAL300020182779	1	40	-1.0	-45.89	319.88	3.25	-42.64
CC(C)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C(O)=C1	REAL300020182780	0	43	-1.0	-44.96	340.96	4.21	-40.75
CC(C)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C(O)=C1	REAL300020182780	1	43	-1.0	-44.98	341.02	4.22	-40.76
CC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C(Br)=N1	REAL300020182781	0	35	-1.0	-47.04	305.93	3.75	-43.29
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CCCCS(=O)(=O)NCC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020182782	0	43	-1.0	-52.20	355.65	0.38	-51.82
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COC1=CC(C)=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1O	REAL300020182796	1	41	-1.0	-48.10	332.77	2.64	-45.46
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C[N@@H+](CC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1CCSC1	REAL300020182802	1	43	0.0	-64.59	329.60	5.41	-59.18
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CC(C)CN1N=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1C(F)F	REAL300020182807	0	45	-1.0	-45.43	359.31	5.13	-40.30
CC(C)CN1N=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1C(F)F	REAL300020182807	1	45	-1.0	-45.48	359.37	5.14	-40.34
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O=C(CN(CC1=CC=CC=C1)C1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020182808	1	51	-1.0	-43.63	402.31	9.41	-34.22
CC1=CN2C(C(=O)N3CCC(C4=NN=N[N-]4)CC3)=CN=C2C=C1	REAL300020182809	0	39	-1.0	-47.54	314.45	5.33	-42.21
CC1=CN2C(C(=O)N3CCC(C4=N[N-]N=N4)CC3)=CN=C2C=C1	REAL300020182809	1	39	-1.0	-47.50	314.39	5.31	-42.19
COC(=O)C1=CC=CC=C1CC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020182810	0	42	-1.0	-45.50	342.04	5.81	-39.69
COC(=O)C1=CC=CC=C1CC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020182810	1	42	-1.0	-45.50	342.10	5.83	-39.67
CN(C)C1=CN=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=N1	REAL300020182811	0	39	-1.0	-44.73	314.10	3.29	-41.44
CN(C)C1=CN=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=N1	REAL300020182811	1	39	-1.0	-44.78	314.04	3.27	-41.51
CN1C=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C(C(F)F)=N1	REAL300020182812	0	36	-1.0	-50.21	305.88	2.99	-47.22
CN1C=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C(C(F)F)=N1	REAL300020182812	1	36	-1.0	-50.23	305.93	3.01	-47.22
O=C(C1=CC=NC(Cl)=C1F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020182813	0	32	-1.0	-47.16	288.06	3.19	-43.97
O=C(C1=CC=NC(Cl)=C1F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020182813	1	32	-1.0	-47.13	288.00	3.17	-43.96
CC(OC1=CC=CC(CO)=C1)C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020182814	0	44	-1.0	-48.65	349.42	2.99	-45.66
CC(OC1=CC=CC(CO)=C1)C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020182814	1	44	-1.0	-48.68	349.47	3.00	-45.68
NS(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020182815	0	38	-1.0	-49.67	348.15	0.00	-49.67
NS(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020182815	1	38	-1.0	-49.66	348.21	0.02	-49.64
CC1=CC=C(CC2=NC(C(=O)N3CCC(C4=N[N-]N=N4)CC3)=CS2)C=C1	REAL300020182816	0	45	-1.0	-44.59	379.20	7.45	-37.14
CC1=CC=C(CC2=NC(C(=O)N3CCC(C4=NN=N[N-]4)CC3)=CS2)C=C1	REAL300020182816	1	45	-1.0	-44.54	379.26	7.46	-37.08
CC1=CC=CC=C1C(F)(F)C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020182817	0	39	-1.0	-42.73	312.50	6.26	-36.47
CC1=CC=CC=C1C(F)(F)C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020182817	1	39	-1.0	-42.76	312.56	6.27	-36.49
CC(C(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=C(Br)C=C1	REAL300020182818	0	39	-1.0	-42.20	328.73	6.39	-35.81
CC(C(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=C(Br)C=C1	REAL300020182818	1	39	-1.0	-42.22	328.79	6.40	-35.82
CC(C)C1=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=NN1C1=CC=CC=C1	REAL300020182819	0	49	-1.0	-45.83	384.44	7.71	-38.12
CC(C)C1=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=NN1C1=CC=CC=C1	REAL300020182819	1	49	-1.0	-45.81	384.50	7.73	-38.08
CSCC1=NOC(CCC(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020182820	0	41	-1.0	-45.00	352.35	2.90	-42.10
CSCC1=NOC(CCC(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020182820	1	41	-1.0	-45.03	352.41	2.92	-42.11
O=C(C1=CC2=CC=C(Br)C=C2C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020182821	0	39	-1.0	-42.66	337.98	7.31	-35.35
O=C(C1=CC2=CC=C(Br)C=C2C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020182821	1	39	-1.0	-42.71	338.04	7.33	-35.38
CC(C)(C(=O)N1CCC(C2=N[N-]N=N2)CC1)C1CCCCC1	REAL300020182822	0	48	-1.0	-41.57	332.70	5.99	-35.58
CC(C)(C(=O)N1CCC(C2=NN=N[N-]2)CC1)C1CCCCC1	REAL300020182822	1	48	-1.0	-41.61	332.75	6.00	-35.61
O=C(CN1C=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=N1)NC1CCCC1	REAL300020182823	0	50	-1.0	-52.00	397.70	3.81	-48.19
O=C(CN1C=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=N1)NC1CCCC1	REAL300020182823	1	50	-1.0	-52.00	397.64	3.80	-48.20
O=C(C1OCCC2=CC=CC=C21)N1CCC(C2=N[N-]N=N2)CC1	REAL300020182824	0	41	-1.0	-44.75	315.82	5.68	-39.07
O=C(C1OCCC2=CC=CC=C21)N1CCC(C2=NN=N[N-]2)CC1	REAL300020182824	1	41	-1.0	-44.73	315.86	5.69	-39.04
O=C(C1=CC(C2=CC=C3OCCC3=C2)=NO1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020182825	0	44	-1.0	-42.78	361.92	5.50	-37.28
O=C(C1=CC(C2=CC=C3OCCC3=C2)=NO1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020182825	1	44	-1.0	-42.73	361.86	5.49	-37.24
CCCCC(NC(=O)OC(C)(C)C)C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020182826	0	55	-1.0	-42.26	414.38	4.27	-37.99
CCCCC(NC(=O)OC(C)(C)C)C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020182826	1	55	-1.0	-42.28	414.43	4.28	-38.00
CNC(=O)COC1=CC=CC(CC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020182827	0	47	-1.0	-53.46	384.73	4.31	-49.15
CNC(=O)COC1=CC=CC(CC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020182827	1	47	-1.0	-53.45	384.79	4.32	-49.13
CS(=O)(=O)C1=CC=C(F)C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020182828	0	39	-1.0	-52.92	338.48	2.08	-50.84
CS(=O)(=O)C1=CC=C(F)C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020182828	1	39	-1.0	-52.95	338.54	2.10	-50.85
CC1(CCCC(=O)N2CCC(C3=N[N-]N=N3)CC2)NC(=O)NC1=O	REAL300020182829	0	44	-1.0	-46.48	352.52	0.03	-46.45
CC1(CCCC(=O)N2CCC(C3=NN=N[N-]3)CC2)NC(=O)NC1=O	REAL300020182829	1	44	-1.0	-46.45	352.58	0.05	-46.40
CC(C)OC1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020182830	0	42	-1.0	-42.34	335.36	4.02	-38.32
CC(C)OC1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020182830	1	42	-1.0	-42.35	335.30	4.00	-38.35
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CC(C)(C)OC(=O)NC1=CC=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020182868	1	50	-1.0	-45.66	391.78	5.03	-40.63
CC(C)(C)OC(=O)N1CCCC1(C)C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020182869	0	53	-1.0	-48.57	387.86	5.84	-42.73
CC(C)(C)OC(=O)N1CCCC1(C)C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020182869	1	53	-1.0	-48.58	387.92	5.86	-42.72
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CC1(C)CCC2=C(C=C(C(=O)N3CCC(C4=NN=N[N-]4)CC3)C(=O)N2)C1	REAL300020182872	1	49	-1.0	-55.79	377.18	4.82	-50.97
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CCC(=O)N1CCC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020182879	1	43	-1.0	-50.79	334.68	3.64	-47.15
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CC1CCCN(C(=O)C(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020183323	1	43	-1.0	-39.68	334.93	3.64	-36.04
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CN(C)S(=O)(=O)C1=CC=C([O-])C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020183325	1	44	-2.0	-103.29	374.09	0.75	-102.54
CN(C)S(=O)(=O)C1=CC=C(O)C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020183325	1	45	-1.0	-47.37	376.46	-0.15	-47.52
CN(C)S(=O)(=O)C1=CC=C(O)C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020183325	1	45	-1.0	-47.35	376.51	-0.14	-47.49
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CNC1=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=CC=C1[N+](=O)[O-]	REAL300020183326	1	40	-1.0	-46.71	328.21	4.34	-42.37
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CC(C)(C)OC(=O)NCC1(C(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1	REAL300020183329	0	50	-1.0	-47.16	390.95	3.35	-43.81
CC(C)(C)OC(=O)NCC1(C(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020183329	1	50	-1.0	-47.19	391.01	3.37	-43.82
NC(=O)C1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020183330	0	36	-1.0	-44.10	299.47	0.38	-43.72
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CC(C)(C)OC(=O)N1CCCCC1(C)C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020183332	0	56	-1.0	-41.38	399.25	6.20	-35.18
CC(C)(C)OC(=O)N1CCCCC1(C)C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020183332	1	56	-1.0	-41.46	399.31	6.21	-35.25
O=C(C1=C(C2CCCC2)N=CS1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020183333	0	42	-1.0	-42.89	338.81	4.86	-38.03
O=C(C1=C(C2CCCC2)N=CS1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020183333	1	42	-1.0	-42.90	338.87	4.87	-38.03
COC1=CC=C(C(=O)CCCCC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020183334	0	51	-1.0	-46.93	408.62	6.97	-39.96
COC1=CC=C(C(=O)CCCCC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020183334	1	51	-1.0	-46.94	408.68	6.99	-39.95
CC1=NC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C(C2=CC=CC=C2)O1	REAL300020183335	0	42	-1.0	-47.26	346.75	3.48	-43.78
CC1=NC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C(C2=CC=CC=C2)O1	REAL300020183335	1	42	-1.0	-47.28	346.81	3.49	-43.79
COC1=CC=C(C(=O)C2=CC=CC=C2C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020183336	0	49	-1.0	-48.84	401.40	7.16	-41.68
COC1=CC=C(C(=O)C2=CC=CC=C2C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020183336	1	49	-1.0	-48.83	401.46	7.17	-41.66
CC(C)S(=O)(=O)C1=CC=C(CC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020183337	0	48	-1.0	-51.79	394.19	4.46	-47.33
CC(C)S(=O)(=O)C1=CC=C(CC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020183337	1	48	-1.0	-51.81	394.25	4.48	-47.33
CC1=CC(Cl)=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1C	REAL300020183338	0	39	-1.0	-45.12	325.46	6.19	-38.93
CC1=CC(Cl)=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1C	REAL300020183338	1	39	-1.0	-45.18	325.52	6.20	-38.98
CC1=CC=C(F)C=C1C(=O)C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020183339	0	38	-1.0	-40.91	310.36	5.23	-35.68
CC1=CC=C(F)C=C1C(=O)C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020183339	1	38	-1.0	-40.88	310.42	5.24	-35.64
CC(C)C1CC(CC(=O)N2CCC(C3=N[N-]N=N3)CC2)CCO1	REAL300020183340	0	49	-1.0	-41.18	356.80	5.33	-35.85
CC(C)C1CC(CC(=O)N2CCC(C3=NN=N[N-]3)CC2)CCO1	REAL300020183340	1	49	-1.0	-41.21	356.86	5.34	-35.87
CC1=C(C(=O)NCC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=CO1	REAL300020183341	0	40	-1.0	-44.28	330.72	2.01	-42.27
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CC1=C(CC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(C(F)(F)F)=CO1	REAL300020187561	1	39	-1.0	-43.28	334.56	5.21	-38.07
CCC1=NC=C2CC(C(=O)N3CCC(C4=N[N-]N=N4)CC3)CCC2=N1	REAL300020187562	0	47	-1.0	-44.13	367.13	5.58	-38.55
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CC(C)(C)OC(=O)N1CC2(CCC2)CC1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187566	1	57	-1.0	-52.57	429.99	6.77	-45.80
CC1=CN(CC2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C2)N=C1	REAL300020187567	0	46	-1.0	-48.04	376.19	6.79	-41.25
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CC1(C(=O)N2CCC(C3=N[N-]N=N3)CC2)CCCNS1(=O)=O	REAL300020187570	0	41	-1.0	-52.67	314.84	-0.72	-53.39
CC1(C(=O)N2CCC(C3=NN=N[N-]3)CC2)CCCNS1(=O)=O	REAL300020187570	1	41	-1.0	-52.72	314.89	-0.70	-53.42
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C[C@@H]1CC[C@H](C(=O)N2CCC(C3=N[N-]N=N3)CC2)N(C(=O)OC(C)(C)C)C1	REAL300020187572	0	56	-1.0	-50.24	409.01	7.08	-43.16
C[C@@H]1CC[C@H](C(=O)N2CCC(C3=NN=N[N-]3)CC2)N(C(=O)OC(C)(C)C)C1	REAL300020187572	1	56	-1.0	-50.25	409.07	7.09	-43.16
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COC1=CC=C(Br)C(F)=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187575	1	37	-1.0	-44.75	330.37	4.62	-40.13
CC1=CC2=C(C=C(C(=O)N3CCC(C4=N[N-]N=N4)CC3)N2CC2CC2)S1	REAL300020187576	0	47	-1.0	-43.44	384.19	8.31	-35.13
CC1=CC2=C(C=C(C(=O)N3CCC(C4=NN=N[N-]4)CC3)N2CC2CC2)S1	REAL300020187576	1	47	-1.0	-43.49	384.25	8.32	-35.17
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CC(C)(C)OC(=O)NC(CC1CCOC1)C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187578	0	57	-1.0	-43.28	420.76	2.57	-40.71
CC(C)(C)OC(=O)NC(CC1CCOC1)C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187578	1	57	-1.0	-43.26	420.82	2.59	-40.67
CC1=CC(F)=CC(C(C)C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020187579	0	42	-1.0	-43.30	336.16	6.56	-36.74
CC1=CC(F)=CC(C(C)C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020187579	1	42	-1.0	-43.32	336.22	6.57	-36.75
COC1=CN=C(C(F)(F)F)C=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187580	0	39	-1.0	-43.79	334.41	3.10	-40.69
COC1=CN=C(C(F)(F)F)C=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187580	1	39	-1.0	-43.75	334.36	3.09	-40.66
O=C(C1=CC2=C(C=CS2)N1CC(F)(F)F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187581	0	40	-1.0	-45.22	348.11	6.32	-38.90
O=C(C1=CC2=C(C=CS2)N1CC(F)(F)F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187581	1	40	-1.0	-45.26	348.16	6.34	-38.92
CC1(C)CCC2=CC(C(=O)N3CCC(C4=N[N-]N=N4)CC3)=C(Cl)N=C2C1	REAL300020187582	0	48	-1.0	-46.28	378.83	6.47	-39.81
CC1(C)CCC2=CC(C(=O)N3CCC(C4=NN=N[N-]4)CC3)=C(Cl)N=C2C1	REAL300020187582	1	48	-1.0	-46.27	378.89	6.48	-39.79
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CC1=NC(C2CC2)=NC=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187587	0	41	-1.0	-41.82	330.53	4.63	-37.19
CC1=NC(C2CC2)=NC=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187587	1	41	-1.0	-41.83	330.59	4.64	-37.19
CCOC1=C2C=C(C(=O)N3CCC(C4=NN=N[N-]4)CC3)SC2=NC=C1	REAL300020187588	0	42	-1.0	-45.72	353.76	4.24	-41.48
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CC1=NN=C(CCC(=O)N2CCC(C3=NN=N[N-]3)CC2)N1C	REAL300020187589	1	41	-1.0	-51.25	331.52	5.11	-46.14
CCC1=NC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C(C)=N1	REAL300020187590	0	40	-1.0	-41.46	322.17	3.51	-37.95
CCC1=NC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C(C)=N1	REAL300020187590	1	40	-1.0	-41.52	322.23	3.52	-38.00
CC1=NC(C2CCOCC2)=NC=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187591	0	48	-1.0	-41.99	374.55	3.62	-38.37
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CC(C)(C)OC(=O)N1CCC2(CC2)C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187593	0	54	-1.0	-46.14	404.78	5.86	-40.28
CC(C)(C)OC(=O)N1CCC2(CC2)C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187593	1	54	-1.0	-46.14	404.84	5.88	-40.26
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O=C(C1C2CC1(C1=CN=CS1)CC2)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187595	0	43	-1.0	-43.31	344.85	5.43	-37.88
O=C(C1C2CC1(C1=CN=CS1)CC2)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187595	1	43	-1.0	-43.28	344.80	5.41	-37.87
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O=C(C1CCC2(CC1)COCCO2)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187596	1	48	-1.0	-44.87	354.18	3.93	-40.94
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CC(C)(C)OC(=O)NC1(C(=O)N2CCC(C3=N[N-]N=N3)CC2)CCCCCC1	REAL300020187598	0	59	-1.0	-47.17	410.84	6.80	-40.37
CC(C)(C)OC(=O)NC1(C(=O)N2CCC(C3=NN=N[N-]3)CC2)CCCCCC1	REAL300020187598	1	59	-1.0	-47.17	410.90	6.83	-40.34
O=C(C=CC1=CC=C([N+](=O)[O-])S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187599	0	36	-1.0	-44.35	323.53	5.87	-38.48
O=C(C=CC1=CC=C([N+](=O)[O-])S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187599	1	36	-1.0	-44.38	323.59	5.88	-38.50
CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1	REAL300020187600	0	59	-1.0	-44.72	440.91	5.38	-39.34
CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020187600	1	59	-1.0	-44.71	440.97	5.40	-39.31
O=C([C@@H]1[C@H]2C[C@]1(C1=CC=CS1)CC2)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187601	0	44	-1.0	-44.26	353.15	7.37	-36.89
O=C([C@@H]1[C@H]2C[C@]1(C1=CC=CS1)CC2)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187601	1	44	-1.0	-44.30	353.21	7.39	-36.91
O=C(C1=NN2CCNS(=O)(=O)C2=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187602	0	39	-1.0	-53.27	328.58	-1.81	-55.08
O=C(C1=NN2CCNS(=O)(=O)C2=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187602	1	39	-1.0	-53.28	328.53	-1.82	-55.10
O=C([C@@H]1CC[C@H]2[C@@H](C1)C2(F)F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187603	0	40	-1.0	-44.74	312.83	5.58	-39.16
O=C([C@@H]1CC[C@H]2[C@@H](C1)C2(F)F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187603	1	40	-1.0	-44.70	312.89	5.60	-39.10
CC1=NN(C2=CC=CC=C2C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020187604	0	43	-1.0	-52.88	346.28	6.56	-46.32
CC1=NN(C2=CC=CC=C2C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020187604	1	43	-1.0	-52.89	346.33	6.58	-46.31
O=C(N1CCC(C2=N[N-]N=N2)CC1)C1(C2=C(F)C=CC=C2Cl)CCC1	REAL300020187605	0	43	-1.0	-42.04	341.94	6.86	-35.18
O=C(N1CCC(C2=NN=N[N-]2)CC1)C1(C2=C(F)C=CC=C2Cl)CCC1	REAL300020187605	1	43	-1.0	-42.07	341.99	6.88	-35.19
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C(C)=C(Br)O1	REAL300020187606	0	36	-1.0	-41.38	319.82	4.83	-36.55
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C(C)=C(Br)O1	REAL300020187606	1	36	-1.0	-41.37	319.88	4.85	-36.52
CN1N=CC=C1[C@]12C[C@H](CC1)[C@@H]2C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187607	0	47	-1.0	-47.80	359.12	5.75	-42.05
CN1N=CC=C1[C@]12C[C@H](CC1)[C@@H]2C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187607	1	47	-1.0	-47.77	359.06	5.73	-42.04
CC12CC(C(=O)N3CCC(C4=N[N-]N=N4)CC3)(C1)C1(CCC1)O2	REAL300020187608	0	45	-1.0	-41.62	332.96	4.46	-37.16
CC12CC(C(=O)N3CCC(C4=NN=N[N-]4)CC3)(C1)C1(CCC1)O2	REAL300020187608	1	45	-1.0	-41.62	333.02	4.47	-37.15
CC12CC(C(=O)N3CCC(C4=N[N-]N=N4)CC3)(C1)C1(CCOCC1)O2	REAL300020187609	0	49	-1.0	-43.14	354.44	3.13	-40.01
CC12CC(C(=O)N3CCC(C4=NN=N[N-]4)CC3)(C1)C1(CCOCC1)O2	REAL300020187609	1	49	-1.0	-43.17	354.49	3.15	-40.02
CC1=COC(C(C)C)=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187610	0	42	-1.0	-43.05	340.91	5.51	-37.54
CC1=COC(C(C)C)=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187610	1	42	-1.0	-43.04	340.97	5.52	-37.52
CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187611	0	57	-1.0	-47.57	419.37	6.45	-41.12
CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187611	1	57	-1.0	-47.57	419.43	6.46	-41.11
O=C(C1=CC2=C(CCCNC2=O)O1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187612	0	41	-1.0	-48.69	328.92	2.15	-46.54
O=C(C1=CC2=C(CCCNC2=O)O1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187612	1	41	-1.0	-48.66	328.97	2.17	-46.49
O=C(C1=NNC2=CC=C(F)C=C21)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187613	0	36	-1.0	-46.41	302.59	3.77	-42.64
O=C(C1=NNC2=CC=C(F)C=C21)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187613	1	36	-1.0	-46.43	302.65	3.79	-42.64
COC1=CC=C(C23CC(CC2)C3C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020187614	0	51	-1.0	-45.42	387.82	7.46	-37.96
COC1=CC=C(C23CC(CC2)C3C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020187614	1	51	-1.0	-45.36	387.88	7.47	-37.89
O=C(N1CCC(C2=N[N-]N=N2)CC1)C1(C2CCOCC2)CCOCC1	REAL300020187615	0	51	-1.0	-42.56	345.51	2.84	-39.72
O=C(N1CCC(C2=NN=N[N-]2)CC1)C1(C2CCOCC2)CCOCC1	REAL300020187615	1	51	-1.0	-42.57	345.57	2.86	-39.71
O=C(C1=CC=CC=C1C1CC1(F)F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187616	0	40	-1.0	-43.37	327.50	6.56	-36.81
O=C(C1=CC=CC=C1C1CC1(F)F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187616	1	40	-1.0	-43.38	327.56	6.57	-36.81
O=C(C(O)C1=CC(F)=C(F)C=C1F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187617	0	37	-1.0	-40.28	308.93	3.08	-37.20
O=C(C(O)C1=CC(F)=C(F)C=C1F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187617	1	37	-1.0	-40.30	308.99	3.10	-37.20
O=C(C(O)C1=CC(F)=C(F)C(F)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187618	0	37	-1.0	-42.19	315.79	3.30	-38.89
O=C(C(O)C1=CC(F)=C(F)C(F)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187618	1	37	-1.0	-42.21	315.85	3.32	-38.89
CCC1=NN(C)C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1Cl	REAL300020187619	0	39	-1.0	-42.98	336.33	4.12	-38.86
CCC1=NN(C)C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1Cl	REAL300020187619	1	39	-1.0	-42.95	336.38	4.14	-38.81
O=C(CSC1=CC=CC(F)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187620	0	37	-1.0	-44.62	319.63	6.05	-38.57
O=C(CSC1=CC=CC(F)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187620	1	37	-1.0	-44.66	319.68	6.06	-38.60
O=C(C1=CC2=C(C=C(Br)O2)N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187621	0	34	-1.0	-42.93	305.15	3.61	-39.32
O=C(C1=CC2=C(C=C(Br)O2)N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187621	1	34	-1.0	-42.99	305.21	3.63	-39.36
O=C(C1CCC(=O)N1CCC(F)(F)F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187622	0	43	-1.0	-49.83	355.90	4.74	-45.09
O=C(C1CCC(=O)N1CCC(F)(F)F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187622	1	43	-1.0	-49.89	355.96	4.75	-45.14
CC1=C(Cl)C=C(Br)C=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187623	0	36	-1.0	-39.76	324.17	6.09	-33.67
CC1=C(Cl)C=C(Br)C=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187623	1	36	-1.0	-39.75	324.23	6.11	-33.64
O=C(C1CC(=O)NC2=NC=CC=C21)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187624	0	40	-1.0	-54.01	325.74	2.68	-51.33
O=C(C1CC(=O)NC2=NC=CC=C21)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187624	1	40	-1.0	-53.96	325.68	2.66	-51.30
CC1=NC(C2CC2)=NC(C)=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187625	0	44	-1.0	-41.16	356.13	5.29	-35.87
CC1=NC(C2CC2)=NC(C)=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187625	1	44	-1.0	-41.17	356.19	5.31	-35.86
CCC1=NC(C)=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C(C)=N1	REAL300020187626	0	43	-1.0	-40.75	347.07	4.22	-36.53
CCC1=NC(C)=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C(C)=N1	REAL300020187626	1	43	-1.0	-40.73	347.13	4.23	-36.50
CC(C)C1=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C(C(F)(F)F)=CO1	REAL300020187627	0	42	-1.0	-46.47	356.78	5.80	-40.67
CC(C)C1=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C(C(F)(F)F)=CO1	REAL300020187627	1	42	-1.0	-46.45	356.84	5.82	-40.63
CCC1=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C(C(F)(F)F)=CO1	REAL300020187628	0	39	-1.0	-46.57	333.10	5.06	-41.51
CCC1=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C(C(F)(F)F)=CO1	REAL300020187628	1	39	-1.0	-46.54	333.15	5.07	-41.47
O=C(N1CCC(C2=N[N-]N=N2)CC1)C1(C2CCCCO2)CC1	REAL300020187629	0	44	-1.0	-41.72	333.23	4.92	-36.80
O=C(N1CCC(C2=NN=N[N-]2)CC1)C1(C2CCCCO2)CC1	REAL300020187629	1	44	-1.0	-41.69	333.29	4.94	-36.75
CC1(C)CCC2=CC(C(=O)N3CCC(C4=N[N-]N=N4)CC3)=C(Cl)N=C2C1	REAL300020187630	0	48	-1.0	-46.28	378.83	6.47	-39.81
CC1(C)CCC2=CC(C(=O)N3CCC(C4=NN=N[N-]4)CC3)=C(Cl)N=C2C1	REAL300020187630	1	48	-1.0	-46.27	378.89	6.48	-39.79
O=C(C1=CC(C2CC2)=NNC1=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187631	0	39	-1.0	-42.99	319.99	2.29	-40.70
O=C(C1=CC(C2CC2)=NNC1=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187631	1	39	-1.0	-43.00	320.05	2.31	-40.69
O=C(N1CCC(C2=N[N-]N=N2)CC1)C1(CC2=CC=C(F)C=C2)CCCO1	REAL300020187632	0	47	-1.0	-41.94	353.94	6.14	-35.80
O=C(N1CCC(C2=NN=N[N-]2)CC1)C1(CC2=CC=C(F)C=C2)CCCO1	REAL300020187632	1	47	-1.0	-41.94	354.00	6.15	-35.79
CC1=CC(C)=C2NC(C(=O)N3CCC(C4=N[N-]N=N4)CC3)=CC2=C1	REAL300020187633	0	43	-1.0	-43.23	343.43	6.22	-37.01
CC1=CC(C)=C2NC(C(=O)N3CCC(C4=NN=N[N-]4)CC3)=CC2=C1	REAL300020187633	1	43	-1.0	-43.16	343.49	6.23	-36.93
CC1=NC2=C(NC(C(=O)N3CCC(C4=N[N-]N=N4)CC3)=C2)S1	REAL300020187634	0	36	-1.0	-45.16	307.71	2.84	-42.32
CC1=NC2=C(NC(C(=O)N3CCC(C4=NN=N[N-]4)CC3)=C2)S1	REAL300020187634	1	36	-1.0	-45.15	307.77	2.85	-42.30
CC1(C)OCC2=C1NN=C2C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187635	0	41	-1.0	-44.59	327.58	2.06	-42.53
CC1(C)OCC2=C1NN=C2C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187635	1	41	-1.0	-44.57	327.63	2.08	-42.49
CC1(C)OCC2=C(C(=O)N3CCC(C4=N[N-]N=N4)CC3)NN=C21	REAL300020187635	1	41	-1.0	-41.09	330.93	1.63	-39.46
CC1(C)OCC2=C(C(=O)N3CCC(C4=NN=N[N-]4)CC3)NN=C21	REAL300020187635	1	41	-1.0	-41.06	330.99	1.65	-39.41
O=C(C1=CC(C2CCOCC2)=NN1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187636	0	44	-1.0	-42.49	343.32	2.64	-39.85
O=C(C1=CC(C2CCOCC2)=NN1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187636	1	44	-1.0	-42.52	343.38	2.65	-39.87
O=C(C1=CN(C2CCCC2)N=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187637	0	43	-1.0	-43.22	336.08	4.85	-38.37
O=C(C1=CN(C2CCCC2)N=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187637	1	43	-1.0	-43.21	336.03	4.84	-38.37
CC(C)(C)OC(=O)C1(C(=O)N2CCC(C3=N[N-]N=N3)CC2)CCCC1	REAL300020187638	0	51	-1.0	-39.94	376.38	6.50	-33.44
CC(C)(C)OC(=O)C1(C(=O)N2CCC(C3=NN=N[N-]3)CC2)CCCC1	REAL300020187638	1	51	-1.0	-39.93	376.44	6.51	-33.42
COC1=CC=C(N2N=CC(C(=O)N3CCC(C4=N[N-]N=N4)CC3)=C2C(C)C)C=C1	REAL300020187639	0	53	-1.0	-44.10	410.89	6.43	-37.67
COC1=CC=C(N2N=CC(C(=O)N3CCC(C4=NN=N[N-]4)CC3)=C2C(C)C)C=C1	REAL300020187639	1	53	-1.0	-44.05	410.95	6.45	-37.60
O=C(C1=NOC2=C1CC(F)(F)CC2)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187640	0	39	-1.0	-44.64	319.24	5.10	-39.54
O=C(C1=NOC2=C1CC(F)(F)CC2)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187640	1	39	-1.0	-44.66	319.30	5.12	-39.54
O=C(CCN1C=CC2=CC=CN=C21)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187641	0	42	-1.0	-47.40	343.88	6.65	-40.75
O=C(CCN1C=CC2=CC=CN=C21)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187641	1	42	-1.0	-47.40	343.82	6.63	-40.77
CC1=CC([N+](=O)[O-])=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1F	REAL300020187642	0	38	-1.0	-49.71	322.76	6.69	-43.02
CC1=CC([N+](=O)[O-])=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1F	REAL300020187642	1	38	-1.0	-49.70	322.82	6.70	-43.00
CCCC1=NC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=CS1	REAL300020187643	0	38	-1.0	-43.24	319.10	4.45	-38.79
CCCC1=NC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=CS1	REAL300020187643	1	38	-1.0	-43.20	319.15	4.47	-38.73
CC1=NN(C)C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1Cl	REAL300020187644	0	36	-1.0	-39.14	314.87	3.39	-35.75
CC1=NN(C)C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1Cl	REAL300020187644	1	36	-1.0	-39.12	314.92	3.41	-35.71
CC(C)(C)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)N1	REAL300020187645	0	43	-1.0	-42.64	335.85	5.07	-37.57
CC(C)(C)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)N1	REAL300020187645	1	43	-1.0	-42.68	335.90	5.09	-37.59
O=C(CS(=O)(=O)C1=CC=CC=C1F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187646	0	39	-1.0	-52.91	338.04	2.54	-50.37
O=C(CS(=O)(=O)C1=CC=CC=C1F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187646	1	39	-1.0	-52.82	338.10	2.56	-50.26
COC1=CC=C2C=C(C(=O)N3CCC(C4=N[N-]N=N4)CC3)NC2=N1	REAL300020187647	0	40	-1.0	-43.52	327.69	2.67	-40.85
COC1=CC=C2C=C(C(=O)N3CCC(C4=NN=N[N-]4)CC3)NC2=N1	REAL300020187647	1	40	-1.0	-43.54	327.75	2.69	-40.85
COC(=O)C1=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C(C)S1	REAL300020187648	0	39	-1.0	-43.13	337.08	4.97	-38.16
COC(=O)C1=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C(C)S1	REAL300020187648	1	39	-1.0	-43.16	337.13	4.99	-38.17
O=C(C1=CN=C(C2CCOCC2)NC1=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187649	0	46	-1.0	-54.24	368.43	2.19	-52.05
O=C(C1=CN=C(C2CCOCC2)NC1=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187649	1	46	-1.0	-54.22	368.49	2.21	-52.01
CC(C)(C)C1=NC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=CN1	REAL300020187650	0	42	-1.0	-45.26	332.45	4.44	-40.82
CC(C)(C)C1=NC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=CN1	REAL300020187650	1	42	-1.0	-45.30	332.51	4.46	-40.84
O=C(C1=C2C(F)=C(Cl)C=CN2N=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187651	0	36	-1.0	-50.32	319.44	4.76	-45.56
O=C(C1=C2C(F)=C(Cl)C=CN2N=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187651	1	36	-1.0	-50.31	319.38	4.75	-45.56
COC(=O)C1=CC2=C(S1)SC(C(=O)N1CCC(C3=N[N-]N=N3)CC1)=C2	REAL300020187652	0	39	-1.0	-43.18	352.67	5.58	-37.60
COC(=O)C1=CC2=C(S1)SC(C(=O)N1CCC(C3=NN=N[N-]3)CC1)=C2	REAL300020187652	1	39	-1.0	-43.18	352.73	5.59	-37.59
CCN1C=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC1=O	REAL300020187653	0	39	-1.0	-52.88	320.93	4.34	-48.54
CCN1C=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC1=O	REAL300020187653	1	39	-1.0	-52.95	320.99	4.36	-48.59
COC1=CC=NC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1F	REAL300020187654	0	36	-1.0	-49.68	298.54	2.95	-46.73
COC1=CC=NC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1F	REAL300020187654	1	36	-1.0	-49.66	298.48	2.94	-46.72
O=C(C1=CC2=C(S1)C1=CC=CC=C1NC2=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187655	0	42	-1.0	-50.85	358.22	4.94	-45.91
O=C(C1=CC2=C(S1)C1=CC=CC=C1NC2=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187655	1	42	-1.0	-50.85	358.28	4.95	-45.90
O=C(CSC1=CC=CC(Cl)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187656	0	37	-1.0	-44.03	329.95	6.49	-37.54
O=C(CSC1=CC=CC(Cl)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187656	1	37	-1.0	-44.06	330.00	6.50	-37.56
COCC1=CN=C(OC)C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020187657	0	43	-1.0	-47.47	352.16	1.15	-46.32
COCC1=CN=C(OC)C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020187657	1	43	-1.0	-47.45	352.10	1.13	-46.32
CC1=CC=C2C(=C1)C=CN2CCC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187658	0	46	-1.0	-43.57	370.28	8.13	-35.44
CC1=CC=C2C(=C1)C=CN2CCC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187658	1	46	-1.0	-43.56	370.33	8.15	-35.41
COC1=CC=C(C(C)=CC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020187659	0	44	-1.0	-42.73	353.06	6.04	-36.69
COC1=CC=C(C(C)=CC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020187659	1	44	-1.0	-42.79	353.12	6.05	-36.74
O=C(CN1N=NC(C2CC2)=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187660	0	38	-1.0	-49.27	318.40	2.95	-46.32
O=C(CN1N=NC(C2CC2)=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187660	1	38	-1.0	-49.29	318.46	2.96	-46.33
CC1(C)OC2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C2O1	REAL300020187661	0	42	-1.0	-42.51	338.07	4.71	-37.80
CC1(C)OC2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C2O1	REAL300020187661	1	42	-1.0	-42.49	338.13	4.72	-37.77
COC1=CC=C(C(CC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(F)F)C=C1	REAL300020187662	0	46	-1.0	-42.94	368.12	6.09	-36.85
COC1=CC=C(C(CC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(F)F)C=C1	REAL300020187662	1	46	-1.0	-42.95	368.18	6.11	-36.84
COC1=CC2=C(OCC2)C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020187663	0	42	-1.0	-48.11	334.84	3.61	-44.50
COC1=CC2=C(OCC2)C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020187663	1	42	-1.0	-48.10	334.89	3.63	-44.47
CC1=CC(=O)N(CCC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=N1	REAL300020187664	0	41	-1.0	-47.18	336.54	4.87	-42.31
CC1=CC(=O)N(CCC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=N1	REAL300020187664	1	41	-1.0	-47.17	336.60	4.88	-42.29
O=C(C1=C2OC=CC2=CC=C1Cl)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187665	0	36	-1.0	-46.73	317.80	5.40	-41.33
O=C(C1=C2OC=CC2=CC=C1Cl)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187665	1	36	-1.0	-46.74	317.85	5.42	-41.32
CC1=NC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C(C2=CC=C(F)C=C2)S1	REAL300020187666	0	42	-1.0	-45.84	365.99	6.12	-39.72
CC1=NC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C(C2=CC=C(F)C=C2)S1	REAL300020187666	1	42	-1.0	-45.81	366.05	6.13	-39.68
CC1=CSC2=C(C(=O)N3CCC(C4=NN=N[N-]4)CC3)N=CN=C12	REAL300020187667	0	37	-1.0	-43.41	315.93	5.32	-38.09
CC1=CSC2=C(C(=O)N3CCC(C4=N[N-]N=N4)CC3)N=CN=C12	REAL300020187667	1	37	-1.0	-43.40	315.87	5.30	-38.10
O=C([C@H]1CC(=O)N[C@@H](C2=CC=CC=C2)C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187668	0	47	-1.0	-45.41	372.33	4.92	-40.49
O=C([C@H]1CC(=O)N[C@@H](C2=CC=CC=C2)C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187668	1	47	-1.0	-45.40	372.38	4.94	-40.46
CC(C)(C)OC(=O)NC1=CN(CC(=O)N2CCC(C3=N[N-]N=N3)CC2)N=C1	REAL300020187669	0	50	-1.0	-55.86	396.60	2.99	-52.87
CC(C)(C)OC(=O)NC1=CN(CC(=O)N2CCC(C3=NN=N[N-]3)CC2)N=C1	REAL300020187669	1	50	-1.0	-55.90	396.65	3.00	-52.90
CC(C)(C)OC(=O)N1CC[C@H](OCC(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020187670	0	54	-1.0	-48.17	419.90	5.31	-42.86
CC(C)(C)OC(=O)N1CC[C@H](OCC(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020187670	1	54	-1.0	-48.19	419.96	5.32	-42.87
CC(C)(C)OC(=O)NC(C)(C)C=CC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187671	0	53	-1.0	-43.05	402.52	4.15	-38.90
CC(C)(C)OC(=O)NC(C)(C)C=CC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187671	1	53	-1.0	-43.05	402.58	4.17	-38.88
CC(C)(C)OC(=O)N[C@H]1C[C@@H](CCC(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020187672	0	56	-1.0	-45.58	430.37	5.07	-40.51
CC(C)(C)OC(=O)N[C@H]1C[C@@H](CCC(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020187672	1	56	-1.0	-45.57	430.43	5.08	-40.49
CC(C)(C)OC(=O)NCCOCCC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187673	0	53	-1.0	-45.25	416.66	2.37	-42.88
CC(C)(C)OC(=O)NCCOCCC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187673	1	53	-1.0	-45.25	416.72	2.39	-42.86
O=C(CC1=NN=C2COCCN12)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187674	0	40	-1.0	-55.65	323.48	2.90	-52.75
O=C(CC1=NN=C2COCCN12)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187674	1	40	-1.0	-55.64	323.54	2.91	-52.73
COC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C(N)C(OC)=C1OC	REAL300020187675	0	47	-1.0	-43.13	376.98	1.83	-41.30
COC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C(N)C(OC)=C1OC	REAL300020187675	1	47	-1.0	-43.15	377.04	1.84	-41.31
NC1=C(Cl)C=C(Cl)C=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187676	0	35	-1.0	-39.34	314.08	3.59	-35.75
NC1=C(Cl)C=C(Cl)C=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187676	1	35	-1.0	-39.34	314.14	3.61	-35.73
NC1=CC=C(Br)C=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187677	0	35	-1.0	-40.46	304.14	3.12	-37.34
NC1=CC=C(Br)C=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187677	1	35	-1.0	-40.46	304.20	3.14	-37.32
NC1=CC=C(Cl)C=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187678	0	35	-1.0	-40.66	299.58	3.03	-37.63
NC1=CC=C(Cl)C=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187678	1	35	-1.0	-40.66	299.64	3.04	-37.62
NC1=CC=C(I)C=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187679	0	35	-1.0	-40.22	310.62	3.60	-36.62
NC1=CC=C(I)C=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187679	1	35	-1.0	-40.24	310.68	3.61	-36.63
NC1=C(Cl)C=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187680	0	35	-1.0	-41.72	297.12	3.05	-38.67
NC1=C(Cl)C=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187680	1	35	-1.0	-41.71	297.18	3.07	-38.64
NC1=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=CC=C1C(F)(F)F	REAL300020187681	0	38	-1.0	-42.41	317.18	3.64	-38.77
NC1=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=CC=C1C(F)(F)F	REAL300020187681	1	38	-1.0	-42.40	317.24	3.65	-38.75
NC1=CC(F)=C(F)C=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187682	0	35	-1.0	-39.90	295.42	2.60	-37.30
NC1=CC(F)=C(F)C=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187682	1	35	-1.0	-39.91	295.47	2.61	-37.30
CC1=CC(Br)=C(N)C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020187683	0	38	-1.0	-41.40	322.93	3.88	-37.52
CC1=CC(Br)=C(N)C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020187683	1	38	-1.0	-41.41	322.98	3.89	-37.52
NC1=C(Br)C=C(F)C=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187684	0	35	-1.0	-39.36	307.93	3.29	-36.07
NC1=C(Br)C=C(F)C=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187684	1	35	-1.0	-39.46	307.99	3.30	-36.16
NC1=C(Br)C=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187685	0	35	-1.0	-41.65	301.16	3.18	-38.47
NC1=C(Br)C=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187685	1	35	-1.0	-41.67	301.22	3.19	-38.48
NC1=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=CC(Cl)=C1Cl	REAL300020187686	0	35	-1.0	-40.97	313.31	3.55	-37.42
NC1=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=CC(Cl)=C1Cl	REAL300020187686	1	35	-1.0	-40.98	313.37	3.57	-37.41
CC1=CC=C(F)C(N)=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187687	0	38	-1.0	-40.50	312.56	3.12	-37.38
CC1=CC=C(F)C(N)=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187687	1	38	-1.0	-40.52	312.62	3.13	-37.39
NC1=C(I)C=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187688	0	35	-1.0	-41.45	307.06	3.68	-37.77
NC1=C(I)C=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187688	1	35	-1.0	-41.45	307.12	3.69	-37.76
CC1=CC(F)=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1N	REAL300020187689	0	38	-1.0	-40.79	308.19	3.35	-37.44
CC1=CC(F)=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1N	REAL300020187689	1	38	-1.0	-40.81	308.25	3.37	-37.44
NC1=C(F)C=C(Br)C=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187690	0	35	-1.0	-39.53	309.63	3.21	-36.32
NC1=C(F)C=C(Br)C=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187690	1	35	-1.0	-39.53	309.69	3.23	-36.30
NC1=CC=C(C(F)(F)F)C=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187691	0	38	-1.0	-40.72	322.93	3.54	-37.18
NC1=CC=C(C(F)(F)F)C=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187691	1	38	-1.0	-40.74	322.98	3.55	-37.19
CC1=CC(Br)=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1N	REAL300020187692	0	38	-1.0	-40.34	323.07	3.90	-36.44
CC1=CC(Br)=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1N	REAL300020187692	1	38	-1.0	-40.32	323.13	3.91	-36.41
NC1=CC(F)=C(Br)C=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187693	0	35	-1.0	-39.37	309.69	3.12	-36.25
NC1=CC(F)=C(Br)C=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187693	1	35	-1.0	-39.41	309.75	3.14	-36.27
CC1=CC(Cl)=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1N	REAL300020187694	0	38	-1.0	-40.43	318.51	3.79	-36.64
CC1=CC(Cl)=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1N	REAL300020187694	1	38	-1.0	-40.50	318.57	3.81	-36.69
CC1=CC(Cl)=C(N)C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020187695	0	38	-1.0	-41.50	318.77	3.74	-37.76
CC1=CC(Cl)=C(N)C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020187695	1	38	-1.0	-41.56	318.82	3.76	-37.80
NC1=CC(F)=C(Cl)C=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187696	0	35	-1.0	-39.54	305.29	3.03	-36.51
NC1=CC(F)=C(Cl)C=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187696	1	35	-1.0	-39.57	305.34	3.04	-36.53
NC1=C(Br)C=C(Cl)C=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187697	0	35	-1.0	-39.29	318.25	3.73	-35.56
NC1=C(Br)C=C(Cl)C=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187697	1	35	-1.0	-39.26	318.31	3.75	-35.51
CC1=CN(C2=CC(C(=O)N3CCC(C4=NN=N[N-]4)CC3)=C(N)C=C2F)N=C1	REAL300020187698	0	45	-1.0	-42.51	366.52	4.33	-38.18
CC1=CN(C2=CC(C(=O)N3CCC(C4=N[N-]N=N4)CC3)=C(N)C=C2F)N=C1	REAL300020187698	1	45	-1.0	-42.47	366.47	4.31	-38.16
COC1=CC(N)=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1S(C)(=O)=O	REAL300020187699	0	45	-1.0	-49.29	370.86	-0.09	-49.38
COC1=CC(N)=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1S(C)(=O)=O	REAL300020187699	1	45	-1.0	-49.31	370.92	-0.07	-49.38
CC1=C(Br)C=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1N	REAL300020187700	0	38	-1.0	-40.69	319.80	3.80	-36.89
CC1=C(Br)C=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1N	REAL300020187700	1	38	-1.0	-40.66	319.85	3.82	-36.84
CC1=C(F)C=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1N	REAL300020187701	0	38	-1.0	-40.96	307.05	3.32	-37.64
CC1=C(F)C=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1N	REAL300020187701	1	38	-1.0	-40.96	307.10	3.33	-37.63
CC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C(N)=C1Cl	REAL300020187702	0	38	-1.0	-42.07	316.93	3.67	-38.40
CC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C(N)=C1Cl	REAL300020187702	1	38	-1.0	-42.06	316.99	3.69	-38.37
CC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C(N)C=C1F	REAL300020187703	0	38	-1.0	-40.81	310.53	3.23	-37.58
CC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C(N)C=C1F	REAL300020187703	1	38	-1.0	-40.76	310.59	3.24	-37.52
NC1=C(Cl)C=C(F)C=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187704	0	35	-1.0	-39.47	303.77	3.15	-36.32
NC1=C(Cl)C=C(F)C=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187704	1	35	-1.0	-39.44	303.83	3.17	-36.27
COC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C(N)=C1F	REAL300020187705	0	39	-1.0	-44.73	317.55	1.92	-42.81
COC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C(N)=C1F	REAL300020187705	1	39	-1.0	-44.77	317.60	1.93	-42.84
COC1=C(F)C=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C(N)=C1F	REAL300020187706	0	39	-1.0	-40.74	328.77	2.10	-38.64
COC1=C(F)C=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C(N)=C1F	REAL300020187706	1	39	-1.0	-40.73	328.83	2.11	-38.62
NC1=CC(Br)=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1N	REAL300020187707	0	37	-1.0	-40.97	316.00	1.30	-39.67
NC1=CC(Br)=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1N	REAL300020187707	1	37	-1.0	-41.02	316.06	1.31	-39.71
NC1=CC(Cl)=C(Cl)C=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187708	0	35	-1.0	-39.25	314.59	3.43	-35.82
NC1=CC(Cl)=C(Cl)C=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187708	1	35	-1.0	-39.30	314.65	3.45	-35.85
NC1=CC(Br)=C(F)C=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187709	0	35	-1.0	-39.51	309.70	3.14	-36.37
NC1=CC(Br)=C(F)C=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187709	1	35	-1.0	-39.52	309.76	3.16	-36.36
COC1=CC(Br)=C(N)C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020187710	0	39	-1.0	-41.03	330.99	2.52	-38.51
COC1=CC(Br)=C(N)C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020187710	1	39	-1.0	-41.06	331.05	2.54	-38.52
NC1=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=CC(Cl)=C1F	REAL300020187711	0	35	-1.0	-41.67	305.41	3.11	-38.56
NC1=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=CC(Cl)=C1F	REAL300020187711	1	35	-1.0	-41.62	305.47	3.13	-38.49
COC1=CC(N)=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1Br	REAL300020187712	0	39	-1.0	-41.57	333.65	2.51	-39.06
COC1=CC(N)=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1Br	REAL300020187712	1	39	-1.0	-41.63	333.70	2.53	-39.10
NC1=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=CC(Br)=C1F	REAL300020187713	0	35	-1.0	-41.47	309.81	3.21	-38.26
NC1=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=CC(Br)=C1F	REAL300020187713	1	35	-1.0	-41.46	309.87	3.22	-38.24
CC1=C(F)C=CC(N)=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187714	0	38	-1.0	-43.34	312.41	3.05	-40.29
CC1=C(F)C=CC(N)=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187714	1	38	-1.0	-43.33	312.46	3.06	-40.27
COC1=CC(OC)=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C(N)=C1Cl	REAL300020187715	0	43	-1.0	-44.29	359.80	1.78	-42.51
COC1=CC(OC)=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C(N)=C1Cl	REAL300020187715	1	43	-1.0	-44.27	359.86	1.79	-42.48
O=C(C1=CC=C(Br)C(Cl)=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187716	0	32	-1.0	-40.21	301.19	4.46	-35.75
O=C(C1=CC=C(Br)C(Cl)=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187716	1	32	-1.0	-40.20	301.13	4.44	-35.76
CC1=CC=C(S(=O)(=O)N[C@@H](CO)C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020187717	0	48	-1.0	-46.98	395.45	-1.12	-48.10
CC1=CC=C(S(=O)(=O)N[C@@H](CO)C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020187717	1	48	-1.0	-46.97	395.51	-1.10	-48.07
O=C(C1=C(Cl)C=CC2=CC=NC=C21)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187718	0	38	-1.0	-47.62	330.37	5.42	-42.20
O=C(C1=C(Cl)C=CC2=CC=NC=C21)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187718	1	38	-1.0	-47.58	330.31	5.40	-42.18
CC(C)(C)OC(=O)NC1CCOC(C)(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020187719	0	57	-1.0	-45.36	420.99	3.16	-42.20
CC(C)(C)OC(=O)NC1CCOC(C)(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020187719	1	57	-1.0	-45.37	421.05	3.17	-42.20
O=C(CCC1=C(Br)SC=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187720	0	36	-1.0	-40.94	325.08	5.82	-35.12
O=C(CCC1=C(Br)SC=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187720	1	36	-1.0	-40.99	325.14	5.83	-35.16
CN1C=C(Br)C(=O)C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020187721	0	36	-1.0	-66.45	321.64	4.47	-61.98
CN1C=C(Br)C(=O)C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020187721	1	36	-1.0	-66.46	321.70	4.48	-61.98
CC(C)(C)OC1CC(CC(=O)N2CCC(C3=N[N-]N=N3)CC2)C1(C)C	REAL300020187722	0	55	-1.0	-43.85	407.93	6.79	-37.06
CC(C)(C)OC1CC(CC(=O)N2CCC(C3=NN=N[N-]3)CC2)C1(C)C	REAL300020187722	1	55	-1.0	-43.85	407.98	6.81	-37.04
O=C(N1CCC(C2=NN=N[N-]2)CC1)C12CC(C1)C[N@@H+]2C1CC1	REAL300020187723	0	44	0.0	-58.62	328.56	5.71	-52.91
O=C(N1CCC(C2=NN=N[N-]2)CC1)C12CC(C1)C[N@H+]2C1CC1	REAL300020187723	1	44	0.0	-57.41	330.02	5.67	-51.74
O=C(N1CCC(C2=NN=N[N-]2)CC1)C12CC(C1)CN2C1CC1	REAL300020187723	1	43	-1.0	-40.75	319.37	5.54	-35.21
O=C(N1CCC(C2=N[N-]N=N2)CC1)C1(CC2=NNN=C2)CCOCC1	REAL300020187724	0	46	-1.0	-45.07	336.31	1.17	-43.90
O=C(N1CCC(C2=NN=N[N-]2)CC1)C1(CC2=NNN=C2)CCOCC1	REAL300020187724	1	46	-1.0	-45.07	336.36	1.18	-43.89
O=C(C1=NN=C2C(Br)=CC=CN12)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187725	0	35	-1.0	-46.68	311.05	5.86	-40.82
O=C(C1=NN=C2C(Br)=CC=CN12)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187725	1	35	-1.0	-46.70	310.99	5.84	-40.86
O=C(C1CC2=CC=CC=C2NC1=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187726	0	41	-1.0	-41.50	327.35	3.61	-37.89
O=C(C1CC2=CC=CC=C2NC1=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187726	1	41	-1.0	-41.52	327.41	3.62	-37.90
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)NC2=CC=C(F)C=C21	REAL300020187727	0	40	-1.0	-41.48	333.42	5.13	-36.35
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)NC2=CC=C(F)C=C21	REAL300020187727	1	40	-1.0	-41.50	333.48	5.15	-36.35
CC(=CC1=CC=C(F)C(F)=C1)C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187728	0	40	-1.0	-43.32	330.30	6.35	-36.97
CC(=CC1=CC=C(F)C(F)=C1)C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187728	1	40	-1.0	-43.33	330.36	6.37	-36.96
O=C(C=CCOC1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187729	0	41	-1.0	-45.81	336.74	5.64	-40.17
O=C(C=CCOC1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187729	1	41	-1.0	-45.86	336.80	5.66	-40.20
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)NC2=CC=C(OC(F)(F)F)C=C21	REAL300020187730	0	44	-1.0	-41.06	373.05	4.84	-36.22
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)NC2=CC=C(OC(F)(F)F)C=C21	REAL300020187730	1	44	-1.0	-41.10	373.10	4.86	-36.24
O=C(C1=C(CN2CCOCC2)C=CO1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187731	0	46	-1.0	-44.22	359.19	1.97	-42.25
O=C(C1=C(CN2CCOCC2)C=CO1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187731	1	46	-1.0	-44.24	359.24	1.98	-42.26
O=C(CC1CC(=O)NC(=O)C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187732	0	39	-1.0	-50.44	313.73	1.03	-49.41
O=C(CC1CC(=O)NC(=O)C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187732	1	39	-1.0	-50.42	313.79	1.05	-49.37
O=C(CC1=CC=CC(F)=C1O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187733	0	37	-1.0	-46.63	310.75	2.74	-43.89
O=C(CC1=CC=CC(F)=C1O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187733	1	37	-1.0	-46.61	310.81	2.76	-43.85
O=C(C1CC2CC(O)CC(C2)C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187734	0	47	-1.0	-42.20	339.60	2.86	-39.34
O=C(C1CC2CC(O)CC(C2)C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187734	1	47	-1.0	-42.25	339.65	2.87	-39.38
O=C(C1=CC2=C(N1)SC(Br)=N2)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187735	0	33	-1.0	-42.95	307.49	2.70	-40.25
O=C(C1=CC2=C(N1)SC(Br)=N2)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187735	1	33	-1.0	-43.00	307.54	2.71	-40.29
O=C(C1=CC(C2=CC=NC=C2)=NN1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187736	0	39	-1.0	-43.54	323.61	3.08	-40.46
O=C(C1=CC(C2=CC=NC=C2)=NN1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187736	1	39	-1.0	-43.56	323.67	3.09	-40.47
O=C(C1=CC2=CNN=C2S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187737	0	33	-1.0	-46.22	287.20	2.25	-43.97
O=C(C1=CC2=CNN=C2S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187737	1	33	-1.0	-46.24	287.26	2.27	-43.97
CC1=NSC(Br)=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187738	0	32	-1.0	-38.48	300.73	3.47	-35.01
CC1=NSC(Br)=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187738	1	32	-1.0	-38.49	300.79	3.49	-35.00
CC1=CN2CC(C(=O)N3CCC(C4=N[N-]N=N4)CC3)CCC2=N1	REAL300020187739	0	43	-1.0	-43.62	336.18	5.38	-38.24
CC1=CN2CC(C(=O)N3CCC(C4=NN=N[N-]4)CC3)CCC2=N1	REAL300020187739	1	43	-1.0	-43.65	336.23	5.40	-38.25
O=C(C1=CN2N=C(Cl)N=C2C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187740	0	35	-1.0	-45.04	313.12	4.79	-40.25
O=C(C1=CN2N=C(Cl)N=C2C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187740	1	35	-1.0	-45.03	313.07	4.78	-40.25
COC(=O)C1=CC(OC)=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1Cl	REAL300020187741	0	43	-1.0	-48.97	366.42	4.79	-44.18
COC(=O)C1=CC(OC)=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1Cl	REAL300020187741	1	43	-1.0	-48.97	366.48	4.80	-44.17
NC1=C(Br)C=NC=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187742	0	34	-1.0	-40.29	297.55	1.34	-38.95
NC1=C(Br)C=NC=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187742	1	34	-1.0	-40.27	297.60	1.36	-38.91
O=C(C1=CC(=O)NC2=C1CCC[NH2+]2)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187743	0	43	0.0	-74.99	338.14	2.60	-72.39
O=C(C1=CC(=O)NC2=C1CCC[NH2+]2)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187743	1	43	0.0	-75.01	338.19	2.62	-72.39
O=C(CCN1CCCC2=CC=CC=C21)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187744	0	48	-1.0	-43.55	364.73	5.93	-37.62
O=C(CCN1CCCC2=CC=CC=C21)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187744	1	48	-1.0	-43.53	364.79	5.95	-37.58
CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187745	0	50	-1.0	-47.62	392.22	0.67	-46.95
CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187745	1	50	-1.0	-47.66	392.28	0.68	-46.98
CC1=NC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C(NC(=O)OC(C)(C)C)O1	REAL300020187746	0	49	-1.0	-44.26	389.10	1.75	-42.51
CC1=NC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C(NC(=O)OC(C)(C)C)O1	REAL300020187746	1	49	-1.0	-44.29	389.16	1.77	-42.52
O=C(C1=C(F)C=CC(Cl)=C1[N+](=O)[O-])N1CCC(C2=N[N-]N=N2)CC1	REAL300020187747	0	35	-1.0	-46.98	326.76	5.98	-41.00
O=C(C1=C(F)C=CC(Cl)=C1[N+](=O)[O-])N1CCC(C2=NN=N[N-]2)CC1	REAL300020187747	1	35	-1.0	-47.00	326.82	5.99	-41.01
NS(=O)(=O)C1=CC2=C(SC(C(=O)N3CCC(C4=N[N-]N=N4)CC3)=C2)S1	REAL300020187748	0	38	-1.0	-47.36	353.12	-0.14	-47.50
NS(=O)(=O)C1=CC2=C(SC(C(=O)N3CCC(C4=NN=N[N-]4)CC3)=C2)S1	REAL300020187748	1	38	-1.0	-47.37	353.18	-0.13	-47.50
COC(=O)C1C(F)(F)C12CC(C(=O)N1CCC(C3=N[N-]N=N3)CC1)C2	REAL300020187749	0	43	-1.0	-47.30	356.90	5.86	-41.44
COC(=O)C1C(F)(F)C12CC(C(=O)N1CCC(C3=NN=N[N-]3)CC1)C2	REAL300020187749	1	43	-1.0	-47.31	356.95	5.88	-41.43
O=C(C(O)CC1=CC=NC=C1Br)N1CCC(C2=N[N-]N=N2)CC1	REAL300020187750	0	39	-1.0	-40.93	329.13	2.47	-38.46
O=C(C(O)CC1=CC=NC=C1Br)N1CCC(C2=NN=N[N-]2)CC1	REAL300020187750	1	39	-1.0	-40.94	329.19	2.48	-38.46
CC1=[NH+]C=C2C=CC(C(=O)N3CCC(C4=NN=N[N-]4)CC3)=CN21	REAL300020187751	0	40	0.0	-62.04	326.44	6.31	-55.73
CC1=NC=C2C=CC(C(=O)N3CCC(C4=NN=N[N-]4)CC3)=CN21	REAL300020187751	1	39	-1.0	-42.75	323.03	5.85	-36.90
O=C(N1CCC(C2=NN=N[N-]2)CC1)C1(C2=CC=CN=C2)CC(F)(F)C1	REAL300020187752	0	42	-1.0	-43.85	336.13	4.92	-38.93
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CCOC(=O)C12CC(C(=O)N3CCC(C4=NN=N[N-]4)CC3)(C1)OC2	REAL300020187854	1	44	-1.0	-41.64	354.32	4.20	-37.44
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CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](C(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020188033	1	56	-1.0	-43.14	421.31	4.73	-38.41
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COC(=O)CC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020188035	0	42	-1.0	-48.48	347.44	5.89	-42.59
COC(=O)CC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020188035	1	42	-1.0	-48.50	347.49	5.90	-42.60
CC(C)(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188036	0	59	-1.0	-41.98	446.99	3.50	-38.48
CC(C)(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188036	1	59	-1.0	-42.01	447.05	3.51	-38.50
NC1=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C(F)C(F)=C1F	REAL300020188037	0	35	-1.0	-39.55	300.76	2.67	-36.88
NC1=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C(F)C(F)=C1F	REAL300020188037	1	35	-1.0	-39.54	300.81	2.69	-36.85
CC(C)(C)OC(=O)N1CCC[C@H](CC(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020188038	0	56	-1.0	-51.16	417.42	6.40	-44.76
CC(C)(C)OC(=O)N1CCC[C@H](CC(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020188038	1	56	-1.0	-51.17	417.48	6.42	-44.75
CC(C)(C)OC(=O)N1CCC1(C)C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188039	0	50	-1.0	-52.84	377.34	5.11	-47.73
CC(C)(C)OC(=O)N1CCC1(C)C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188039	1	50	-1.0	-52.87	377.40	5.12	-47.75
CC(C)(C)CC(NC(=O)OC(C)(C)C)C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188040	0	58	-1.0	-40.01	414.55	5.78	-34.23
CC(C)(C)CC(NC(=O)OC(C)(C)C)C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188040	1	58	-1.0	-40.06	414.61	5.79	-34.27
CC(C)OCCC(NC(=O)OC(C)(C)C)C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188041	0	59	-1.0	-48.12	446.09	4.43	-43.69
CC(C)OCCC(NC(=O)OC(C)(C)C)C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188041	1	59	-1.0	-48.12	446.14	4.45	-43.67
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NC1=C(F)C=C(F)C(F)=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188043	0	35	-1.0	-38.97	305.60	2.68	-36.29
NC1=C(F)C=C(F)C(F)=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188043	1	35	-1.0	-38.97	305.66	2.69	-36.28
CC(C)(C)OC(=O)NCC1=NC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=CO1	REAL300020188044	0	49	-1.0	-44.45	394.59	0.83	-43.62
CC(C)(C)OC(=O)NCC1=NC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=CO1	REAL300020188044	1	49	-1.0	-44.48	394.64	0.84	-43.64
CN(C)C1=CC=C(Br)C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020188045	0	41	-1.0	-44.75	340.91	5.42	-39.33
CN(C)C1=CC=C(Br)C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020188045	1	41	-1.0	-44.73	340.97	5.44	-39.29
O=C(C1=CC=C2C(=C1)CCCS2(=O)=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188046	0	43	-1.0	-51.41	350.04	2.93	-48.48
O=C(C1=CC=C2C(=C1)CCCS2(=O)=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188046	1	43	-1.0	-51.41	350.10	2.94	-48.47
O=C(C1=NN2CC(F)CC2=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188047	0	37	-1.0	-48.61	303.14	3.76	-44.85
O=C(C1=NN2CC(F)CC2=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188047	1	37	-1.0	-48.63	303.20	3.78	-44.85
CC(C)(C)OC(=O)NC(C)(C(=O)N1CCC(C2=N[N-]N=N2)CC1)C(F)(F)F	REAL300020188048	0	49	-1.0	-44.72	380.63	3.88	-40.84
CC(C)(C)OC(=O)NC(C)(C(=O)N1CCC(C2=NN=N[N-]2)CC1)C(F)(F)F	REAL300020188048	1	49	-1.0	-44.70	380.68	3.89	-40.81
O=C(N1CCC(C2=N[N-]N=N2)CC1)C12CCN(CCC1)S2(=O)=O	REAL300020188049	0	42	-1.0	-45.15	314.81	0.89	-44.26
O=C(N1CCC(C2=NN=N[N-]2)CC1)C12CCN(CCC1)S2(=O)=O	REAL300020188049	1	42	-1.0	-45.20	314.87	0.91	-44.29
O=C(C1=CC=CN=C1OC1=CC=CN=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188050	0	42	-1.0	-52.27	347.35	3.96	-48.31
O=C(C1=CC=CN=C1OC1=CC=CN=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188050	1	42	-1.0	-52.27	347.29	3.95	-48.32
CC1=CC=CC(C2(C(=O)N3CCC(C4=N[N-]N=N4)CC3)CC2(F)F)=C1	REAL300020188051	0	43	-1.0	-41.71	344.40	7.12	-34.59
CC1=CC=CC(C2(C(=O)N3CCC(C4=NN=N[N-]4)CC3)CC2(F)F)=C1	REAL300020188051	1	43	-1.0	-41.71	344.45	7.14	-34.57
O=C(C1=C(C2CC2)ON=C1Br)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188052	0	36	-1.0	-42.35	325.46	5.03	-37.32
O=C(C1=C(C2CC2)ON=C1Br)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188052	1	36	-1.0	-42.35	325.52	5.05	-37.30
O=C(C1=CC2=C(N1)C(Br)=CO2)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188053	0	34	-1.0	-42.68	302.92	3.59	-39.09
O=C(C1=CC2=C(N1)C(Br)=CO2)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188053	1	34	-1.0	-42.68	302.98	3.60	-39.08
CC1=CC2=C(C=C(C(=O)N3CCC(C4=N[N-]N=N4)CC3)N2)O1	REAL300020188054	0	37	-1.0	-45.25	305.37	3.71	-41.54
CC1=CC2=C(C=C(C(=O)N3CCC(C4=NN=N[N-]4)CC3)N2)O1	REAL300020188054	1	37	-1.0	-45.21	305.43	3.73	-41.48
CC(C)C1=CNC2=CC(C(=O)N3CCC(C4=N[N-]N=N4)CC3)=NC2=C1	REAL300020188055	0	45	-1.0	-57.11	356.72	5.30	-51.81
CC(C)C1=CNC2=CC(C(=O)N3CCC(C4=NN=N[N-]4)CC3)=NC2=C1	REAL300020188055	1	45	-1.0	-57.16	356.78	5.31	-51.85
O=C(CC1=CC2=C(C=C1Br)OCO2)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188056	0	39	-1.0	-45.21	338.35	4.60	-40.61
O=C(CC1=CC2=C(C=C1Br)OCO2)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188056	1	39	-1.0	-45.21	338.41	4.61	-40.60
O=C(C1=NC2=CC(Br)=CNC2=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188057	0	35	-1.0	-57.91	313.07	3.88	-54.03
O=C(C1=NC2=CC(Br)=CNC2=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188057	1	35	-1.0	-57.92	313.12	3.90	-54.02
CCOCCC(NC(=O)OC(C)(C)C)C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188058	0	56	-1.0	-42.40	425.00	2.73	-39.67
CCOCCC(NC(=O)OC(C)(C)C)C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188058	1	56	-1.0	-42.40	425.06	2.75	-39.65
C#CCC1(C(=O)N2CCC(C3=N[N-]N=N3)CC2)CCN(C(=O)OC(C)(C)C)C1	REAL300020188059	0	55	-1.0	-53.24	419.04	5.87	-47.37
C#CCC1(C(=O)N2CCC(C3=NN=N[N-]3)CC2)CCN(C(=O)OC(C)(C)C)C1	REAL300020188059	1	55	-1.0	-53.26	419.10	5.88	-47.38
CCOC1=CC(Br)=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1N	REAL300020188060	0	42	-1.0	-40.80	354.37	3.48	-37.32
CCOC1=CC(Br)=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1N	REAL300020188060	1	42	-1.0	-40.83	354.42	3.49	-37.34
O=C([C@@H]1C[C@H]1C1=CC=CC=C1Br)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188061	0	40	-1.0	-43.89	340.32	7.27	-36.62
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CC(C)CC(ONC(=O)OC(C)(C)C)C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188064	0	56	-1.0	-48.73	422.05	6.08	-42.65
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CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=CC2=CC=CC=C21	REAL300020188065	0	42	-1.0	-43.95	331.31	7.16	-36.79
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COC1=CC=CC(CCC(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020188066	1	42	-1.0	-42.93	342.50	3.03	-39.90
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COC1=CC(C)=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=N1	REAL300020188068	1	39	-1.0	-41.68	316.09	1.69	-39.99
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CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=NN1CC(F)F	REAL300020188074	0	39	-1.0	-43.74	327.23	3.78	-39.96
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=NN1CC(F)F	REAL300020188074	1	39	-1.0	-43.77	327.29	3.80	-39.97
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=NN1C1CCC1	REAL300020188075	0	43	-1.0	-43.58	339.55	4.91	-38.67
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=NN1C1CCC1	REAL300020188075	1	43	-1.0	-43.62	339.61	4.93	-38.69
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CC(C)(C)OC(=O)NC[C@@H]1C[C@H](C(=O)N2CCC(C3=N[N-]N=N3)CC2)CO1	REAL300020188077	0	54	-1.0	-47.27	416.26	2.32	-44.95
CC(C)(C)OC(=O)NC[C@@H]1C[C@H](C(=O)N2CCC(C3=NN=N[N-]3)CC2)CO1	REAL300020188077	1	54	-1.0	-47.29	416.32	2.34	-44.95
CC(C)(C)OC(=O)NC(CC1=CNN=C1)C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188078	0	53	-1.0	-44.91	406.02	1.94	-42.97
CC(C)(C)OC(=O)NC(CC1=CNN=C1)C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188078	1	53	-1.0	-44.94	406.08	1.95	-42.99
CC(C)(C)OC(=O)N1CCC(C(F)C(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1	REAL300020188079	0	56	-1.0	-48.06	419.98	6.40	-41.66
CC(C)(C)OC(=O)N1CCC(C(F)C(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020188079	1	56	-1.0	-48.10	420.03	6.41	-41.69
COC1(C(=O)N2CCC(C3=N[N-]N=N3)CC2)CN(C(=O)OC(C)(C)C)C1	REAL300020188080	0	51	-1.0	-42.42	395.01	3.03	-39.39
COC1(C(=O)N2CCC(C3=NN=N[N-]3)CC2)CN(C(=O)OC(C)(C)C)C1	REAL300020188080	1	51	-1.0	-42.42	395.07	3.05	-39.37
CC(C)(C)OC(=O)NC(C(=O)N1CCC(C2=N[N-]N=N2)CC1)C1CC(C)(C)C1	REAL300020188081	0	59	-1.0	-39.92	435.23	4.95	-34.97
CC(C)(C)OC(=O)NC(C(=O)N1CCC(C2=NN=N[N-]2)CC1)C1CC(C)(C)C1	REAL300020188081	1	59	-1.0	-39.95	435.29	4.96	-34.99
CC(C)(C)OC(=O)N1CC(O)(C(C)(C)C(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020188082	0	57	-1.0	-48.85	419.41	2.33	-46.52
CC(C)(C)OC(=O)N1CC(O)(C(C)(C)C(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020188082	1	57	-1.0	-48.87	419.46	2.34	-46.53
CC(C)(C)OC(=O)NC1CCCC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1	REAL300020188083	0	59	-1.0	-46.40	425.32	4.90	-41.50
CC(C)(C)OC(=O)NC1CCCC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020188083	1	59	-1.0	-46.41	425.38	4.91	-41.50
CC1=NN(CC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(C)=C1C	REAL300020188084	0	42	-1.0	-46.97	336.29	4.44	-42.53
CC1=NN(CC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(C)=C1C	REAL300020188084	1	42	-1.0	-46.97	336.35	4.46	-42.51
CC(C)(C)OC(=O)N1CCC(CF)(C(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1	REAL300020188085	0	56	-1.0	-41.63	406.32	5.53	-36.10
CC(C)(C)OC(=O)N1CCC(CF)(C(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020188085	1	56	-1.0	-41.63	406.38	5.55	-36.08
CN1C=C(NC(=O)OC(C)(C)C)C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020188086	0	50	-1.0	-44.31	391.30	3.17	-41.14
CN1C=C(NC(=O)OC(C)(C)C)C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020188086	1	50	-1.0	-44.36	391.35	3.18	-41.18
O=C(C1=CC=CC(Cl)=C1C(F)(F)F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188087	0	36	-1.0	-49.23	316.58	5.67	-43.56
O=C(C1=CC=CC(Cl)=C1C(F)(F)F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188087	1	36	-1.0	-49.24	316.64	5.69	-43.55
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CC(=O)C1=NC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=CS1	REAL300020188089	0	34	-1.0	-49.38	300.33	2.91	-46.47
CC(=O)C1=NC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=CS1	REAL300020188089	1	34	-1.0	-49.43	300.39	2.92	-46.51
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COC1=NN(C)C(Br)=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188090	1	37	-1.0	-43.26	330.67	0.82	-42.44
CC(=O)NC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C(F)=C1	REAL300020188091	0	40	-1.0	-56.36	328.67	3.32	-53.04
CC(=O)NC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C(F)=C1	REAL300020188091	1	40	-1.0	-56.41	328.73	3.34	-53.07
CO[C@@]1(CNC(=O)OC(C)(C)C)C[C@@H](C(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020188092	0	57	-1.0	-47.00	431.20	3.96	-43.04
CO[C@@]1(CNC(=O)OC(C)(C)C)C[C@@H](C(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020188092	1	57	-1.0	-47.01	431.26	3.98	-43.03
O=C(CC1=CC(C(F)(F)F)=CO1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188093	0	36	-1.0	-45.39	316.23	4.65	-40.74
O=C(CC1=CC(C(F)(F)F)=CO1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188093	1	36	-1.0	-45.41	316.29	4.67	-40.74
CS(=O)(=O)C1(C2=CC=CC(C(=O)N3CCC(C4=N[N-]N=N4)CC3)=C2)CC1	REAL300020188094	0	46	-1.0	-58.16	382.36	3.96	-54.20
CS(=O)(=O)C1(C2=CC=CC(C(=O)N3CCC(C4=NN=N[N-]4)CC3)=C2)CC1	REAL300020188094	1	46	-1.0	-58.14	382.42	3.98	-54.16
CC1=C2C=C(C(=O)N3CCC(C4=N[N-]N=N4)CC3)SC2=C(C)S1	REAL300020188095	0	39	-1.0	-43.11	340.74	6.35	-36.76
CC1=C2C=C(C(=O)N3CCC(C4=NN=N[N-]4)CC3)SC2=C(C)S1	REAL300020188095	1	39	-1.0	-43.12	340.80	6.37	-36.75
O=C(C1CCCC2=NN=CN21)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188096	0	39	-1.0	-50.17	307.05	5.16	-45.01
O=C(C1CCCC2=NN=CN21)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188096	1	39	-1.0	-50.17	307.11	5.18	-44.99
CC1(C)CCCC(CC(=O)N2CCC(C3=N[N-]N=N3)CC2)O1	REAL300020188097	0	46	-1.0	-43.68	343.57	5.53	-38.15
CC1(C)CCCC(CC(=O)N2CCC(C3=NN=N[N-]3)CC2)O1	REAL300020188097	1	46	-1.0	-43.68	343.63	5.54	-38.14
COC(C(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=CN=C1	REAL300020188098	0	39	-1.0	-44.96	316.00	3.46	-41.50
COC(C(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=CN=C1	REAL300020188098	1	39	-1.0	-44.93	315.95	3.44	-41.49
CC(C)(C)OC(=O)N1CCC2(CCC2)C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188099	0	57	-1.0	-43.90	423.81	6.52	-37.38
CC(C)(C)OC(=O)N1CCC2(CCC2)C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188099	1	57	-1.0	-43.92	423.87	6.54	-37.38
CC(C)(C)OC(=O)N[C@@H]1CC[C@@](C)(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020188100	0	56	-1.0	-50.87	412.22	4.15	-46.72
CC(C)(C)OC(=O)N[C@@H]1CC[C@@](C)(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020188100	1	56	-1.0	-50.89	412.27	4.17	-46.72
O=C(C1=C2SC(Cl)=C(Cl)C2=CC=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188101	0	36	-1.0	-45.13	337.22	6.84	-38.29
O=C(C1=C2SC(Cl)=C(Cl)C2=CC=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188101	1	36	-1.0	-45.11	337.27	6.85	-38.26
C[C@]12CCCN1S(=O)(=O)[C@H](C(=O)N1CCC(C3=N[N-]N=N3)CC1)C2	REAL300020188102	0	45	-1.0	-52.86	342.42	1.80	-51.06
C[C@]12CCCN1S(=O)(=O)[C@H](C(=O)N1CCC(C3=NN=N[N-]3)CC1)C2	REAL300020188102	1	45	-1.0	-52.91	342.47	1.82	-51.09
O=C(CN1C=CC2=CC(F)=CC=C21)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188103	0	40	-1.0	-46.16	334.32	6.94	-39.22
O=C(CN1C=CC2=CC(F)=CC=C21)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188103	1	40	-1.0	-46.17	334.38	6.95	-39.22
CC1CCC2=CC(F)=CC3=C2N1C=C(C(=O)N1CCC(C2=N[N-]N=N2)CC1)C3=O	REAL300020188104	0	49	-1.0	-63.48	389.91	7.39	-56.09
CC1CCC2=CC(F)=CC3=C2N1C=C(C(=O)N1CCC(C2=NN=N[N-]2)CC1)C3=O	REAL300020188104	1	49	-1.0	-63.53	389.97	7.40	-56.13
CC1(C)CC(=O)C2=C(C1)OC(=O)C(C(=O)N1CCC(C3=N[N-]N=N3)CC1)=C2	REAL300020188105	0	47	-1.0	-51.44	378.44	6.29	-45.15
CC1(C)CC(=O)C2=C(C1)OC(=O)C(C(=O)N1CCC(C3=NN=N[N-]3)CC1)=C2	REAL300020188105	1	47	-1.0	-51.49	378.50	6.31	-45.18
O=C(C1=CC2=C(CCCC2=O)OC1=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188106	0	41	-1.0	-52.89	341.36	5.39	-47.50
O=C(C1=CC2=C(CCCC2=O)OC1=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188106	1	41	-1.0	-52.87	341.42	5.41	-47.46
COC1=CC2=NC=CC(C(=O)N3CCC(C4=NN=N[N-]4)CC3)=C2C=C1	REAL300020188107	0	42	-1.0	-45.54	338.32	4.09	-41.45
COC1=CC2=NC=CC(C(=O)N3CCC(C4=N[N-]N=N4)CC3)=C2C=C1	REAL300020188107	1	42	-1.0	-45.52	338.26	4.08	-41.44
CCSC1CCC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1	REAL300020188108	0	46	-1.0	-41.64	358.95	6.83	-34.81
CCSC1CCC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020188108	1	46	-1.0	-41.64	359.01	6.84	-34.80
CC1=CC(CCC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC(C)=N1	REAL300020188109	0	44	-1.0	-43.43	354.20	5.72	-37.71
CC1=CC(CCC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC(C)=N1	REAL300020188109	1	44	-1.0	-43.41	354.25	5.74	-37.67
CC1=CC2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C2C=C1	REAL300020188110	0	42	-1.0	-43.70	338.08	7.35	-36.35
CC1=CC2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C2C=C1	REAL300020188110	1	42	-1.0	-43.74	338.14	7.37	-36.37
CC(C)(C)OC(=O)N1CC(C)(C)C[C@@H]1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188111	0	56	-1.0	-46.66	422.24	6.05	-40.61
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C=CCOCC(C(=O)N1CCC(C2=NN=N[N-]2)CC1)C(C)(C)C	REAL300020188164	1	49	-1.0	-40.06	362.27	5.33	-34.73
CC12CCCN1S(=O)(=O)C(C(=O)N1CCC(C3=N[N-]N=N3)CC1)C2	REAL300020188165	0	45	-1.0	-55.63	353.63	1.02	-54.61
CC12CCCN1S(=O)(=O)C(C(=O)N1CCC(C3=NN=N[N-]3)CC1)C2	REAL300020188165	1	45	-1.0	-55.65	353.69	1.03	-54.62
CN1N=CC(C(F)F)=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188166	0	36	-1.0	-42.97	310.98	3.23	-39.74
CN1N=CC(C(F)F)=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188166	1	36	-1.0	-42.94	310.92	3.22	-39.72
CC1=NN(C2CCC2)C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020188167	0	43	-1.0	-42.74	336.72	4.96	-37.78
CC1=NN(C2CCC2)C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020188167	1	43	-1.0	-42.77	336.78	4.98	-37.79
O=C(C1=CC=NN1CCC(F)(F)F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188168	0	39	-1.0	-42.71	329.70	4.23	-38.48
O=C(C1=CC=NN1CCC(F)(F)F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188168	1	39	-1.0	-42.67	329.64	4.21	-38.46
COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188169	0	44	-1.0	-44.07	365.94	6.69	-37.38
COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188169	1	44	-1.0	-44.05	366.00	6.70	-37.35
CC1(C)CCCOC1CC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188170	0	46	-1.0	-43.11	338.43	5.17	-37.94
CC1(C)CCCOC1CC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188170	1	46	-1.0	-43.12	338.48	5.19	-37.93
CN1N=CC(Cl)=C1C1=NOC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020188171	0	39	-1.0	-42.66	341.46	3.66	-39.00
CN1N=CC(Cl)=C1C1=NOC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020188171	1	39	-1.0	-42.66	341.51	3.67	-38.99
O=C(C=CC1=CC=C(Cl)C=C1F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188172	0	37	-1.0	-43.76	325.73	6.50	-37.26
O=C(C=CC1=CC=C(Cl)C=C1F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188172	1	37	-1.0	-43.77	325.79	6.52	-37.25
CC(=O)NC(COC(C)C)C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188173	0	46	-1.0	-46.91	359.67	2.61	-44.30
CC(=O)NC(COC(C)C)C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188173	1	46	-1.0	-46.93	359.73	2.63	-44.30
CC1(C)OCC(CCC(=O)N2CCC(C3=N[N-]N=N3)CC2)O1	REAL300020188174	0	44	-1.0	-42.22	346.45	3.62	-38.60
CC1(C)OCC(CCC(=O)N2CCC(C3=NN=N[N-]3)CC2)O1	REAL300020188174	1	44	-1.0	-42.22	346.51	3.64	-38.58
CCCCOC1=CC=C(C=CC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020188175	0	50	-1.0	-43.54	397.79	7.78	-35.76
CCCCOC1=CC=C(C=CC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020188175	1	50	-1.0	-43.58	397.85	7.79	-35.79
COC1=CC2=CC=C(CC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C2C=C1	REAL300020188176	0	46	-1.0	-46.18	370.15	7.01	-39.17
COC1=CC2=CC=C(CC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C2C=C1	REAL300020188176	1	46	-1.0	-46.15	370.21	7.03	-39.12
CC(C)CC(CC1=CC=CC=C1)C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188177	0	51	-1.0	-41.06	384.74	8.57	-32.49
CC(C)CC(CC1=CC=CC=C1)C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188177	1	51	-1.0	-41.03	384.79	8.59	-32.44
COC1=CC=C(Br)C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1C	REAL300020188178	0	40	-1.0	-43.08	341.90	5.04	-38.04
COC1=CC=C(Br)C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1C	REAL300020188178	1	40	-1.0	-43.06	341.96	5.05	-38.01
COC1=NC=C(Cl)C(C)=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188179	0	39	-1.0	-41.06	335.00	2.34	-38.72
COC1=NC=C(Cl)C(C)=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188179	1	39	-1.0	-41.07	335.06	2.36	-38.71
COC1=CC=C(OC)C([N+](=O)[O-])=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188180	0	43	-1.0	-52.37	362.94	4.06	-48.31
COC1=CC=C(OC)C([N+](=O)[O-])=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188180	1	43	-1.0	-52.38	362.99	4.07	-48.31
CC12CCC(C(=O)N3CCC(C4=N[N-]N=N4)CC3)(CC1)OC2	REAL300020188181	0	44	-1.0	-40.58	323.54	4.29	-36.29
CC12CCC(C(=O)N3CCC(C4=NN=N[N-]4)CC3)(CC1)OC2	REAL300020188181	1	44	-1.0	-40.56	323.60	4.31	-36.25
O=C(C1=CC(F)=C(Br)C(F)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188182	0	33	-1.0	-40.12	302.59	5.13	-34.99
O=C(C1=CC(F)=C(Br)C(F)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188182	1	33	-1.0	-40.16	302.65	5.15	-35.01
O=C([C@@H]1C[C@H]1C1=CC=NC=C1Cl)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188183	0	39	-1.0	-46.26	331.37	5.40	-40.86
O=C([C@@H]1C[C@H]1C1=CC=NC=C1Cl)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188183	1	39	-1.0	-46.25	331.43	5.41	-40.84
O=C(C1=NC=C(F)C2=CC=CC=C21)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188184	0	38	-1.0	-41.38	319.86	5.03	-36.35
O=C(C1=NC=C(F)C2=CC=CC=C21)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188184	1	38	-1.0	-41.36	319.80	5.01	-36.35
COC(=O)C1=CC=C(C=CC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=N1	REAL300020188185	0	42	-1.0	-46.21	354.11	4.79	-41.42
COC(=O)C1=CC=C(C=CC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=N1	REAL300020188185	1	42	-1.0	-46.24	354.17	4.81	-41.43
CC1=C(C)NC(=O)C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020188186	0	39	-1.0	-58.81	318.83	2.73	-56.08
CC1=C(C)NC(=O)C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020188186	1	39	-1.0	-58.81	318.89	2.75	-56.06
CC1=CC(C(F)(F)F)=CC=C1CC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188187	0	42	-1.0	-43.40	350.88	7.00	-36.40
CC1=CC(C(F)(F)F)=CC=C1CC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188187	1	42	-1.0	-43.44	350.94	7.02	-36.42
CC(CC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=C(F)C(F)=C1	REAL300020188188	0	42	-1.0	-42.69	342.23	6.82	-35.87
CC(CC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=C(F)C(F)=C1	REAL300020188188	1	42	-1.0	-42.69	342.28	6.84	-35.85
CC(C)(C)N1C=C(CC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=N1	REAL300020188189	0	45	-1.0	-46.08	357.54	5.26	-40.82
CC(C)(C)N1C=C(CC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=N1	REAL300020188189	1	45	-1.0	-46.05	357.48	5.25	-40.80
O=C(C1=CC(C2=NNC=C2)=CC=C1F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188190	0	40	-1.0	-49.93	336.60	4.61	-45.32
O=C(C1=CC(C2=NNC=C2)=CC=C1F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188190	1	40	-1.0	-49.94	336.65	4.63	-45.31
CC1=CC=C(C2(C(=O)N3CCC(C4=N[N-]N=N4)CC3)CC2)C(F)=C1	REAL300020188191	0	43	-1.0	-46.85	345.60	7.03	-39.82
CC1=CC=C(C2(C(=O)N3CCC(C4=NN=N[N-]4)CC3)CC2)C(F)=C1	REAL300020188191	1	43	-1.0	-46.86	345.66	7.05	-39.81
O=C(C1=CC(Cl)=C(F)C=C1[O-])N1CCC(C2=N[N-]N=N2)CC1	REAL300020188192	0	33	-2.0	-93.99	301.12	3.32	-90.67
O=C(C1=CC(Cl)=C(F)C=C1[O-])N1CCC(C2=NN=N[N-]2)CC1	REAL300020188192	1	33	-2.0	-94.01	301.18	3.34	-90.67
CCCC1=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)N=NN1CC	REAL300020188193	0	44	-1.0	-44.61	349.71	4.23	-40.38
CCCC1=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)N=NN1CC	REAL300020188193	1	44	-1.0	-44.66	349.77	4.25	-40.41
CCC1=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)SC(C2=NNC=N2)=N1	REAL300020188194	0	41	-1.0	-48.41	351.49	3.78	-44.63
CCC1=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)SC(C2=NNC=N2)=N1	REAL300020188194	1	41	-1.0	-48.44	351.55	3.79	-44.65
O=C(NC1=CC=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1)N1CCCCC1	REAL300020188195	0	52	-1.0	-45.17	397.73	6.49	-38.68
O=C(NC1=CC=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1)N1CCCCC1	REAL300020188195	1	52	-1.0	-45.18	397.79	6.51	-38.67
O=C(C1=CC(=O)NC(C2=CC=C(Cl)C=C2)=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188196	0	42	-1.0	-45.67	360.57	5.61	-40.06
O=C(C1=CC(=O)NC(C2=CC=C(Cl)C=C2)=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188196	1	42	-1.0	-45.69	360.51	5.60	-40.09
O=C(C1=C2NC=NC2=CC(Br)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188197	0	36	-1.0	-43.00	318.14	4.69	-38.31
O=C(C1=C2NC=NC2=CC(Br)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188197	1	36	-1.0	-43.05	318.20	4.71	-38.34
O=C(C1=CC=C2NC(C3CC3)=NC2=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188198	0	43	-1.0	-46.03	347.64	5.46	-40.57
O=C(C1=CC=C2NC(C3CC3)=NC2=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188198	1	43	-1.0	-46.01	347.70	5.47	-40.54
CN(CC1=CC=CO1)C(=O)NCC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188199	0	45	-1.0	-47.61	368.00	3.14	-44.47
CN(CC1=CC=CO1)C(=O)NCC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188199	1	45	-1.0	-47.59	368.05	3.16	-44.43
O=C(C1=CC=C2NC(C3=CC=C(F)C=C3)=NC2=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188200	0	46	-1.0	-46.28	381.64	7.04	-39.24
O=C(C1=CC=C2NC(C3=CC=C(F)C=C3)=NC2=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188200	1	46	-1.0	-46.27	381.69	7.06	-39.21
CC1=NNC2=C1CC(C(=O)N1CCC(C3=N[N-]N=N3)CC1)CC2	REAL300020188201	0	43	-1.0	-45.64	333.94	3.87	-41.77
CC1=NNC2=C1CC(C(=O)N1CCC(C3=NN=N[N-]3)CC1)CC2	REAL300020188201	1	43	-1.0	-45.63	334.00	3.89	-41.74
CC1=C2CC(C(=O)N3CCC(C4=N[N-]N=N4)CC3)CCC2=NN1	REAL300020188201	1	43	-1.0	-44.68	334.14	3.93	-40.75
O=C(CC1=CC=C2NC(=O)CCC2=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188202	0	44	-1.0	-46.45	354.50	4.63	-41.82
O=C(CC1=CC=C2NC(=O)CCC2=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188202	1	44	-1.0	-46.48	354.55	4.65	-41.83
CSC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1[N+](=O)[O-]	REAL300020188203	0	39	-1.0	-43.73	334.23	5.99	-37.74
CSC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1[N+](=O)[O-]	REAL300020188203	1	39	-1.0	-43.73	334.29	6.00	-37.73
CC(C)(OC1=C(F)C=CC=C1F)C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188204	0	43	-1.0	-49.06	336.52	5.95	-43.11
CC(C)(OC1=C(F)C=CC=C1F)C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188204	1	43	-1.0	-49.05	336.58	5.97	-43.08
C=C1CCC1(C(=O)OC)C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188205	0	40	-1.0	-40.46	321.26	4.49	-35.97
C=C1CCC1(C(=O)OC)C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188205	1	40	-1.0	-40.52	321.32	4.50	-36.02
NS(=O)(=O)C1=COC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020188206	0	35	-1.0	-48.86	307.74	-2.42	-51.28
NS(=O)(=O)C1=COC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020188206	1	35	-1.0	-48.83	307.80	-2.41	-51.24
N#CC1=CC2=C(C(=O)N3CCC(C4=NN=N[N-]4)CC3)C=NN2C=C1	REAL300020188207	0	37	-1.0	-48.11	320.02	4.64	-43.47
N#CC1=CC2=C(C(=O)N3CCC(C4=N[N-]N=N4)CC3)C=NN2C=C1	REAL300020188207	1	37	-1.0	-48.12	319.96	4.62	-43.50
O=C(C1=CC(Cl)=NN1C1=NC=CC=C1Cl)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188208	0	39	-1.0	-46.71	348.49	6.68	-40.03
O=C(C1=CC(Cl)=NN1C1=NC=CC=C1Cl)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188208	1	39	-1.0	-46.68	348.43	6.66	-40.02
O=C(C1CCC2=NC(C(F)(F)F)=CN2C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188209	0	43	-1.0	-43.97	355.40	5.75	-38.22
O=C(C1CCC2=NC(C(F)(F)F)=CN2C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188209	1	43	-1.0	-43.93	355.46	5.77	-38.16
C[C@H](ONC(=O)OC(C)(C)C)C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188210	0	47	-1.0	-50.84	370.63	3.46	-47.38
C[C@H](ONC(=O)OC(C)(C)C)C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188210	1	47	-1.0	-50.87	370.68	3.47	-47.40
O=C(C(O)C1=CC=C(F)C(Cl)=C1F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188211	0	37	-1.0	-42.10	320.33	3.62	-38.48
O=C(C(O)C1=CC=C(F)C(Cl)=C1F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188211	1	37	-1.0	-42.11	320.38	3.64	-38.47
C[C@@H]1CC2=C(C(=O)N3CCC(C4=N[N-]N=N4)CC3)NN=C2[C@H](C)O1	REAL300020188212	0	44	-1.0	-42.32	346.11	2.79	-39.53
C[C@@H]1CC2=C(C(=O)N3CCC(C4=NN=N[N-]4)CC3)NN=C2[C@H](C)O1	REAL300020188212	1	44	-1.0	-42.29	346.17	2.80	-39.49
C[C@@H]1CC2=C(NN=C2C(=O)N2CCC(C3=N[N-]N=N3)CC2)[C@H](C)O1	REAL300020188212	1	44	-1.0	-45.19	344.77	2.97	-42.22
C[C@@H]1CC2=C(NN=C2C(=O)N2CCC(C3=NN=N[N-]3)CC2)[C@H](C)O1	REAL300020188212	1	44	-1.0	-45.19	344.83	2.99	-42.20
O=C(CCC1=C(Br)C=CS1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188213	0	36	-1.0	-42.28	325.73	5.88	-36.40
O=C(CCC1=C(Br)C=CS1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188213	1	36	-1.0	-42.29	325.79	5.90	-36.39
O=C(CCNC1=CN=CN=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188214	0	39	-1.0	-45.78	319.67	2.45	-43.33
O=C(CCNC1=CN=CN=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188214	1	39	-1.0	-45.75	319.61	2.44	-43.31
O=C(CC1=C(Br)C=C2N=CNC2=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188215	0	39	-1.0	-51.06	337.99	5.57	-45.49
O=C(CC1=C(Br)C=C2N=CNC2=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188215	1	39	-1.0	-51.04	338.05	5.59	-45.45
O=C(CC1=C(Br)C=C2NC=NC2=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188215	1	39	-1.0	-48.94	337.85	5.57	-43.37
O=C(CC1=C(Br)C=C2NC=NC2=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188215	1	39	-1.0	-48.95	337.91	5.59	-43.36
CC(C)(C)OC(=O)[C@@H]1CCC[C@H](C(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020188216	0	54	-1.0	-48.72	405.59	7.56	-41.16
CC(C)(C)OC(=O)[C@@H]1CCC[C@H](C(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020188216	1	54	-1.0	-48.76	405.64	7.58	-41.18
CC(C)OC1=CC=C(Cl)N=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188217	0	42	-1.0	-45.70	350.59	5.59	-40.11
CC(C)OC1=CC=C(Cl)N=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188217	1	42	-1.0	-45.68	350.53	5.57	-40.11
C=CCOC1=CC=C(Cl)N=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188218	0	40	-1.0	-45.83	346.12	5.51	-40.32
C=CCOC1=CC=C(Cl)N=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188218	1	40	-1.0	-45.84	346.06	5.49	-40.35
O=C(C1CCCC(F)(F)CC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188219	0	42	-1.0	-44.77	315.62	5.35	-39.42
O=C(C1CCCC(F)(F)CC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188219	1	42	-1.0	-44.75	315.68	5.36	-39.39
O=C(C[C@@H](O)C1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188220	0	40	-1.0	-45.19	322.98	3.96	-41.23
O=C(C[C@@H](O)C1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188220	1	40	-1.0	-45.20	323.04	3.98	-41.22
O=C(C1CC(C2=CC=CC=C2F)=NO1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188221	0	41	-1.0	-49.49	339.58	6.11	-43.38
O=C(C1CC(C2=CC=CC=C2F)=NO1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188221	1	41	-1.0	-49.49	339.64	6.13	-43.36
O=C(C1=CC=C(C2CC2(F)F)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188222	0	40	-1.0	-44.60	331.94	6.68	-37.92
O=C(C1=CC=C(C2CC2(F)F)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188222	1	40	-1.0	-44.61	331.99	6.69	-37.92
O=C(CCCCCC(=O)N1CCC(C2=N[N-]N=N2)CC1)NC1=CC=CC=C1	REAL300020188223	0	52	-1.0	-52.06	414.11	6.87	-45.19
O=C(CCCCCC(=O)N1CCC(C2=NN=N[N-]2)CC1)NC1=CC=CC=C1	REAL300020188223	1	52	-1.0	-52.05	414.17	6.89	-45.16
O=C(C1CCC2=CC=NN2C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188224	0	40	-1.0	-42.59	314.29	3.84	-38.75
O=C(C1CCC2=CC=NN2C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188224	1	40	-1.0	-42.59	314.35	3.86	-38.73
O=C(C1=C2C=NSC2=CC=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188225	0	35	-1.0	-46.88	301.27	4.51	-42.37
O=C(C1=C2C=NSC2=CC=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188225	1	35	-1.0	-46.89	301.21	4.49	-42.40
CS(=O)(=O)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C(Cl)=C1	REAL300020188226	0	39	-1.0	-51.00	346.02	2.45	-48.55
CS(=O)(=O)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C(Cl)=C1	REAL300020188226	1	39	-1.0	-51.03	346.08	2.47	-48.56
O=C(C1=CC=C(C(F)(F)F)C=C1C(F)(F)F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188227	0	39	-1.0	-45.57	342.63	6.37	-39.20
O=C(C1=CC=C(C(F)(F)F)C=C1C(F)(F)F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188227	1	39	-1.0	-45.56	342.68	6.39	-39.17
NC1=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C(F)C(Br)=C1F	REAL300020188228	0	35	-1.0	-39.08	314.43	3.20	-35.88
NC1=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C(F)C(Br)=C1F	REAL300020188228	1	35	-1.0	-39.09	314.48	3.21	-35.88
CC1(C(=O)N2CCC(C3=N[N-]N=N3)CC2)CC(C2CC2)=NO1	REAL300020188229	0	41	-1.0	-41.71	325.37	4.18	-37.53
CC1(C(=O)N2CCC(C3=NN=N[N-]3)CC2)CC(C2CC2)=NO1	REAL300020188229	1	41	-1.0	-41.71	325.43	4.20	-37.51
CC(C)(C)OC(=O)NCC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=NO1	REAL300020188230	0	49	-1.0	-43.55	394.06	2.91	-40.64
CC(C)(C)OC(=O)NCC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=NO1	REAL300020188230	1	49	-1.0	-43.50	394.12	2.93	-40.57
O=C(C1=NC(C2CC2)=NC=C1Cl)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188231	0	38	-1.0	-40.87	327.27	5.32	-35.55
O=C(C1=NC(C2CC2)=NC=C1Cl)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188231	1	38	-1.0	-40.84	327.33	5.34	-35.50
O=C(N1CCC(C2=N[N-]N=N2)CC1)C1(C2=CC=CC=C2)CC1(F)F	REAL300020188232	0	40	-1.0	-43.76	330.35	6.49	-37.27
O=C(N1CCC(C2=NN=N[N-]2)CC1)C1(C2=CC=CC=C2)CC1(F)F	REAL300020188232	1	40	-1.0	-43.77	330.41	6.50	-37.27
CN(C)C1=CC2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C2C=C1	REAL300020188233	0	47	-1.0	-45.36	369.07	7.08	-38.28
CN(C)C1=CC2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C2C=C1	REAL300020188233	1	47	-1.0	-45.35	369.13	7.09	-38.26
COC1(CC(=O)N2CCC(C3=N[N-]N=N3)CC2)CN(C(=O)OC(C)(C)C)C1	REAL300020188234	0	54	-1.0	-52.14	416.52	3.82	-48.32
COC1(CC(=O)N2CCC(C3=NN=N[N-]3)CC2)CN(C(=O)OC(C)(C)C)C1	REAL300020188234	1	54	-1.0	-52.15	416.58	3.84	-48.31
O=C(N1CCC(C2=N[N-]N=N2)CC1)C1(CC2=NNN=C2)CCCC1	REAL300020188235	0	45	-1.0	-45.44	335.73	3.03	-42.41
O=C(N1CCC(C2=NN=N[N-]2)CC1)C1(CC2=NNN=C2)CCCC1	REAL300020188235	1	45	-1.0	-45.49	335.80	3.04	-42.45
CC(C)(C)C1=NN(C(C)(C)C)C=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188236	0	54	-1.0	-44.71	408.45	6.59	-38.12
CC(C)(C)C1=NN(C(C)(C)C)C=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188236	1	54	-1.0	-44.69	408.39	6.57	-38.12
C#CC1=CC=C(C2CC2C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020188237	0	42	-1.0	-43.52	349.30	7.97	-35.55
C#CC1=CC=C(C2CC2C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020188237	1	42	-1.0	-43.47	349.36	7.98	-35.49
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C2=CC=CC=C2C=N1	REAL300020188238	0	41	-1.0	-45.20	334.38	5.53	-39.67
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C2=CC=CC=C2C=N1	REAL300020188238	1	41	-1.0	-45.21	334.44	5.54	-39.67
O=C(N1CCC(C2=N[N-]N=N2)CC1)C1(C2CCC2)CC1(F)F	REAL300020188239	0	40	-1.0	-40.32	308.36	5.30	-35.02
O=C(N1CCC(C2=NN=N[N-]2)CC1)C1(C2CCC2)CC1(F)F	REAL300020188239	1	40	-1.0	-40.32	308.42	5.32	-35.00
CN1N=CC2=C(C(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C(C3CC3)N=C21	REAL300020188240	0	45	-1.0	-45.39	364.72	5.59	-39.80
CN1N=CC2=C(C(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C(C3CC3)N=C21	REAL300020188240	1	45	-1.0	-45.43	364.77	5.60	-39.83
O=C(N1CCC(C2=N[N-]N=N2)CC1)C12CCC(C(F)(F)F)(CC1)C2	REAL300020188241	0	43	-1.0	-41.59	335.38	5.83	-35.76
O=C(N1CCC(C2=NN=N[N-]2)CC1)C12CCC(C(F)(F)F)(CC1)C2	REAL300020188241	1	43	-1.0	-41.56	335.44	5.84	-35.72
CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188242	0	53	-1.0	-53.42	401.95	4.01	-49.41
CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188242	1	53	-1.0	-53.45	402.01	4.02	-49.43
COC1=CC=C(C=CC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(OC)=C1OC	REAL300020188243	0	49	-1.0	-47.20	397.42	5.21	-41.99
COC1=CC=C(C=CC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(OC)=C1OC	REAL300020188243	1	49	-1.0	-47.20	397.47	5.23	-41.97
CC(C)(C)OC(=O)N1C=COCC1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188244	0	49	-1.0	-45.32	378.95	4.14	-41.18
CC(C)(C)OC(=O)N1C=COCC1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188244	1	49	-1.0	-45.28	379.00	4.16	-41.12
CC(C)(C)OC(=O)NCC1(C(=O)N2CCC(C3=N[N-]N=N3)CC2)CC(C)(C)C1	REAL300020188245	0	59	-1.0	-42.75	434.26	4.59	-38.16
CC(C)(C)OC(=O)NCC1(C(=O)N2CCC(C3=NN=N[N-]3)CC2)CC(C)(C)C1	REAL300020188245	1	59	-1.0	-42.70	434.32	4.60	-38.10
CC(C)(C)OC(=O)N1CCC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)(C2CC2)C1	REAL300020188246	0	57	-1.0	-48.45	417.58	6.55	-41.90
CC(C)(C)OC(=O)N1CCC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)(C2CC2)C1	REAL300020188246	1	57	-1.0	-48.47	417.63	6.56	-41.91
O=C(C1=C2C(=O)NCCN2N=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188247	0	38	-1.0	-56.28	310.27	0.61	-55.67
O=C(C1=C2C(=O)NCCN2N=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188247	1	38	-1.0	-56.26	310.21	0.59	-55.67
CC=CC1=CC=C(OCC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(OC)=C1	REAL300020188248	0	48	-1.0	-49.41	385.62	7.10	-42.31
CC=CC1=CC=C(OCC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(OC)=C1	REAL300020188248	1	48	-1.0	-49.41	385.68	7.12	-42.29
O=C(C1CC(=O)CC12CCC2)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188249	0	42	-1.0	-42.06	319.38	5.11	-36.95
O=C(C1CC(=O)CC12CCC2)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188249	1	42	-1.0	-42.09	319.44	5.12	-36.97
CC1=CNC2=NC=C(C(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C12	REAL300020188250	0	39	-1.0	-45.74	318.68	4.31	-41.43
CC1=CNC2=NC=C(C(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C12	REAL300020188250	1	39	-1.0	-45.73	318.74	4.33	-41.40
CC(C)(C)OC(=O)NC1CCOC(CC(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020188251	0	57	-1.0	-46.59	430.67	4.60	-41.99
CC(C)(C)OC(=O)NC1CCOC(CC(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020188251	1	57	-1.0	-46.58	430.73	4.62	-41.96
CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188252	0	57	-1.0	-43.43	412.46	5.92	-37.51
CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188252	1	57	-1.0	-43.40	412.52	5.93	-37.47
O=C(C1=CC2=C(CCOC2)N=C1Cl)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188253	0	40	-1.0	-47.06	334.43	3.15	-43.91
O=C(C1=CC2=C(CCOC2)N=C1Cl)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188253	1	40	-1.0	-47.07	334.49	3.16	-43.91
O=C(C1CCC(OC2=CC=CC=C2)CC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188254	0	50	-1.0	-42.75	383.21	7.35	-35.40
O=C(C1CCC(OC2=CC=CC=C2)CC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188254	1	50	-1.0	-42.80	383.27	7.36	-35.44
CC1=NN=C(CC2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C2)O1	REAL300020188255	0	44	-1.0	-48.47	365.38	1.83	-46.64
CC1=NN=C(CC2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C2)O1	REAL300020188255	1	44	-1.0	-48.48	365.44	1.84	-46.64
O=C(C1=CC2=C(Br)C=CC=C2C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188256	0	39	-1.0	-47.02	335.10	7.22	-39.80
O=C(C1=CC2=C(Br)C=CC=C2C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188256	1	39	-1.0	-47.02	335.15	7.23	-39.79
O=C(C1=CN2C(=NN=C2C2=CC=CC=C2)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188257	0	45	-1.0	-45.88	371.38	8.37	-37.51
O=C(C1=CN2C(=NN=C2C2=CC=CC=C2)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188257	1	45	-1.0	-45.85	371.44	8.38	-37.47
CC1=CC2=CC(C(=O)N3CCC(C4=NN=N[N-]4)CC3)=CN=C2C(F)=C1	REAL300020188258	0	41	-1.0	-47.74	339.40	5.60	-42.14
CC1=CC2=CC(C(=O)N3CCC(C4=N[N-]N=N4)CC3)=CN=C2C(F)=C1	REAL300020188258	1	41	-1.0	-47.71	339.34	5.58	-42.13
CN1C=C(C2=NC(C(=O)N3CCC(C4=NN=N[N-]4)CC3)=CO2)C=N1	REAL300020188259	0	39	-1.0	-47.04	331.02	1.87	-45.17
CN1C=C(C2=NC(C(=O)N3CCC(C4=N[N-]N=N4)CC3)=CO2)C=N1	REAL300020188259	1	39	-1.0	-47.05	330.96	1.86	-45.19
COC1=C2C=C(C(=O)N3CCC(C4=N[N-]N=N4)CC3)NC2=C(C)C=C1	REAL300020188260	0	44	-1.0	-45.99	351.50	4.85	-41.14
COC1=C2C=C(C(=O)N3CCC(C4=NN=N[N-]4)CC3)NC2=C(C)C=C1	REAL300020188260	1	44	-1.0	-45.98	351.55	4.87	-41.11
CCCCOC1=CC=C(CC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020188261	0	49	-1.0	-44.17	389.01	7.25	-36.92
CCCCOC1=CC=C(CC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1	REAL300020188261	1	49	-1.0	-44.17	389.07	7.27	-36.90
CC(C)(C)S(=O)(=O)CC1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020188262	0	50	-1.0	-52.73	404.90	3.62	-49.11
CC(C)(C)S(=O)(=O)CC1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020188262	1	50	-1.0	-52.73	404.96	3.63	-49.10
COC1=NC2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C2C=C1	REAL300020188263	0	42	-1.0	-46.18	343.31	3.31	-42.87
COC1=NC2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C2C=C1	REAL300020188263	1	42	-1.0	-46.18	343.25	3.30	-42.88
CC1=CN2C(C(=O)N3CCC(C4=NN=N[N-]4)CC3)=CN=C2S1	REAL300020188264	0	36	-1.0	-46.31	307.51	4.73	-41.58
CC1=CN2C(C(=O)N3CCC(C4=N[N-]N=N4)CC3)=CN=C2S1	REAL300020188264	1	36	-1.0	-46.30	307.45	4.72	-41.58
O=C(C1=NOC(COC2=CC=C(F)C=C2)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188265	0	43	-1.0	-43.74	363.86	5.80	-37.94
O=C(C1=NOC(COC2=CC=C(F)C=C2)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188265	1	43	-1.0	-43.69	363.91	5.81	-37.88
O=C(C1=CC(Cl)=C(Cl)S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188266	0	30	-1.0	-39.49	293.22	4.54	-34.95
O=C(C1=CC(Cl)=C(Cl)S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188266	1	30	-1.0	-39.51	293.27	4.56	-34.95
CC(C)(C)C1=CC=NC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020188267	0	44	-1.0	-43.86	341.26	5.89	-37.97
CC(C)(C)C1=CC=NC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020188267	1	44	-1.0	-43.89	341.21	5.87	-38.02
COC1CC2(C1)CCC(C(=O)N1CCC(C3=N[N-]N=N3)CC1)CC2	REAL300020188268	0	50	-1.0	-43.55	373.45	5.51	-38.04
COC1CC2(C1)CCC(C(=O)N1CCC(C3=NN=N[N-]3)CC1)CC2	REAL300020188268	1	50	-1.0	-43.59	373.51	5.53	-38.06
CCCC(CCC1=CC=CC=C1)C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188269	0	51	-1.0	-43.83	393.75	8.81	-35.02
CCCC(CCC1=CC=CC=C1)C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188269	1	51	-1.0	-43.85	393.81	8.83	-35.02
CCC(C)(C)C1CCC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1	REAL300020188270	0	54	-1.0	-40.73	377.54	7.28	-33.45
CCC(C)(C)C1CCC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020188270	1	54	-1.0	-40.77	377.60	7.30	-33.47
CC1=CC2=CC(C(=O)N3CCC(C4=NN=N[N-]4)CC3)=CN=C2C=C1	REAL300020188271	0	41	-1.0	-43.93	331.68	5.35	-38.58
CC1=CC2=CC(C(=O)N3CCC(C4=N[N-]N=N4)CC3)=CN=C2C=C1	REAL300020188271	1	41	-1.0	-43.91	331.63	5.33	-38.58
CN1C=C(C2=CC(C(=O)N3CCC(C4=N[N-]N=N4)CC3)=NO2)N=N1	REAL300020188272	0	38	-1.0	-47.82	324.48	2.61	-45.21
CN1C=C(C2=CC(C(=O)N3CCC(C4=NN=N[N-]4)CC3)=NO2)N=N1	REAL300020188272	1	38	-1.0	-47.80	324.54	2.63	-45.17
O=C(C1CCC2(CC(=O)C2)CC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188273	0	45	-1.0	-46.40	343.12	5.63	-40.77
O=C(C1CCC2(CC(=O)C2)CC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188273	1	45	-1.0	-46.36	343.18	5.64	-40.72
O=C(C1=CC=C2OCCC(=O)C2=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188274	0	40	-1.0	-44.66	326.51	4.20	-40.46
O=C(C1=CC=C2OCCC(=O)C2=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188274	1	40	-1.0	-44.71	326.57	4.21	-40.50
CCC(CCC1=CC=CC=C1)C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188275	0	48	-1.0	-43.79	372.26	8.03	-35.76
CCC(CCC1=CC=CC=C1)C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188275	1	48	-1.0	-43.78	372.32	8.05	-35.73
COC1(C(F)(F)C(=O)N2CCC(C3=N[N-]N=N3)CC2)CCCC1	REAL300020188276	0	43	-1.0	-40.09	327.37	4.95	-35.14
COC1(C(F)(F)C(=O)N2CCC(C3=NN=N[N-]3)CC2)CCCC1	REAL300020188276	1	43	-1.0	-40.06	327.43	4.97	-35.09
O=C(CCC1=CC=C2CCOCC2=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188277	0	47	-1.0	-43.47	369.81	6.36	-37.11
O=C(CCC1=CC=C2CCOCC2=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188277	1	47	-1.0	-43.47	369.87	6.37	-37.10
O=C(C1CC12CCC(F)(F)CC2)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188278	0	43	-1.0	-44.76	333.83	6.29	-38.47
O=C(C1CC12CCC(F)(F)CC2)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188278	1	43	-1.0	-44.77	333.89	6.31	-38.46
CC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)N=C1Br	REAL300020188279	0	35	-1.0	-42.53	304.58	4.56	-37.97
CC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)N=C1Br	REAL300020188279	1	35	-1.0	-42.52	304.52	4.54	-37.98
CN(C)C1=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1[N+](=O)[O-]	REAL300020188280	0	43	-1.0	-44.11	350.34	5.70	-38.41
CN(C)C1=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1[N+](=O)[O-]	REAL300020188280	1	43	-1.0	-44.10	350.40	5.72	-38.38
O=C(C1=CC(Cl)=NC2=NC=CC=C12)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188281	0	37	-1.0	-44.78	320.87	4.27	-40.51
O=C(C1=CC(Cl)=NC2=NC=CC=C12)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188281	1	37	-1.0	-44.78	320.81	4.26	-40.52
COC(=O)C1=CSC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020188282	0	36	-1.0	-47.71	315.36	4.02	-43.69
COC(=O)C1=CSC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020188282	1	36	-1.0	-47.74	315.42	4.04	-43.70
CC(C)(C)C1=CN=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020188283	0	44	-1.0	-41.79	341.79	4.87	-36.92
CC(C)(C)C1=CN=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020188283	1	44	-1.0	-41.76	341.73	4.86	-36.90
O=C(C1=CC=C(OC2=CC=C(F)C=C2)S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188284	0	41	-1.0	-41.78	356.17	6.49	-35.29
O=C(C1=CC=C(OC2=CC=C(F)C=C2)S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188284	1	41	-1.0	-41.77	356.22	6.51	-35.26
N#CC1=CC=C(C2=C(C(=O)N3CCC(C4=NN=N[N-]4)CC3)N=CO2)C=C1	REAL300020188285	0	40	-1.0	-48.52	350.73	3.32	-45.20
N#CC1=CC=C(C2=C(C(=O)N3CCC(C4=N[N-]N=N4)CC3)N=CO2)C=C1	REAL300020188285	1	40	-1.0	-48.53	350.67	3.31	-45.22
COC1CC(CC(=O)N2CCC(C3=N[N-]N=N3)CC2)C1(C)C	REAL300020188286	0	46	-1.0	-44.88	351.00	4.65	-40.23
COC1CC(CC(=O)N2CCC(C3=NN=N[N-]3)CC2)C1(C)C	REAL300020188286	1	46	-1.0	-44.90	351.06	4.67	-40.23
CC(C)(C)OC(=O)N1CCC(C2CC2)C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188287	0	57	-1.0	-52.11	424.96	6.66	-45.45
CC(C)(C)OC(=O)N1CCC(C2CC2)C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188287	1	57	-1.0	-52.14	425.02	6.67	-45.47
CC1(C(=O)N2CCC(C3=N[N-]N=N3)CC2)CC2=CC(Cl)=CC=C2C(=O)O1	REAL300020188288	0	43	-1.0	-40.57	355.07	6.53	-34.04
CC1(C(=O)N2CCC(C3=NN=N[N-]3)CC2)CC2=CC(Cl)=CC=C2C(=O)O1	REAL300020188288	1	43	-1.0	-40.59	355.12	6.55	-34.04
CSC(C)C(NC(=O)OC(C)(C)C)C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188289	0	53	-1.0	-39.68	406.24	4.07	-35.61
CSC(C)C(NC(=O)OC(C)(C)C)C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188289	1	53	-1.0	-39.67	406.30	4.08	-35.59
CC(C)(C)C1=CC=NC2=C(C(=O)N3CCC(C4=NN=N[N-]4)CC3)C=NN21	REAL300020188290	0	47	-1.0	-52.85	367.26	5.88	-46.97
CC(C)(C)C1=CC=NC2=C(C(=O)N3CCC(C4=N[N-]N=N4)CC3)C=NN21	REAL300020188290	1	47	-1.0	-52.88	367.20	5.87	-47.01
O=C(N1CCC(C2=N[N-]N=N2)CC1)C12CCCN1C(=O)CCCC2	REAL300020188291	0	47	-1.0	-48.87	339.28	4.33	-44.54
O=C(N1CCC(C2=NN=N[N-]2)CC1)C12CCCN1C(=O)CCCC2	REAL300020188291	1	47	-1.0	-48.89	339.33	4.35	-44.54
O=C(N1CCC(C2=N[N-]N=N2)CC1)C1(C2=CC=CC=C2)CC1C(F)(F)F	REAL300020188292	0	43	-1.0	-42.28	348.48	7.16	-35.12
O=C(N1CCC(C2=NN=N[N-]2)CC1)C1(C2=CC=CC=C2)CC1C(F)(F)F	REAL300020188292	1	43	-1.0	-42.31	348.54	7.17	-35.14
O=C(C1CCC2(CC2(F)F)C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188293	0	40	-1.0	-41.18	321.92	5.78	-35.40
O=C(C1CCC2(CC2(F)F)C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188293	1	40	-1.0	-41.20	321.98	5.79	-35.41
O=C(C1CCCC2C1C2(F)F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188294	0	40	-1.0	-46.89	311.89	5.53	-41.36
O=C(C1CCCC2C1C2(F)F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188294	1	40	-1.0	-46.89	311.95	5.54	-41.35
C[C@H]1C2=CC=CC=C2O[C@H]1CC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188295	0	44	-1.0	-47.64	345.33	6.05	-41.59
C[C@H]1C2=CC=CC=C2O[C@H]1CC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188295	1	44	-1.0	-47.71	345.39	6.06	-41.65
O=C(CCC1=CC=CC(Br)=C1F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188296	0	39	-1.0	-45.84	342.15	6.90	-38.94
O=C(CCC1=CC=CC(Br)=C1F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188296	1	39	-1.0	-45.84	342.20	6.92	-38.92
CC(C)(C)[C@@H]1CCCC[C@@H]1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188297	0	51	-1.0	-39.99	344.26	6.85	-33.14
CC(C)(C)[C@@H]1CCCC[C@@H]1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188297	1	51	-1.0	-39.98	344.31	6.87	-33.11
CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(C(=O)N3CCC(C4=N[N-]N=N4)CC3)C[C@@H]12	REAL300020188298	0	51	-1.0	-45.30	396.82	4.08	-41.22
CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(C(=O)N3CCC(C4=NN=N[N-]4)CC3)C[C@@H]12	REAL300020188298	1	51	-1.0	-45.27	396.87	4.10	-41.17
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C(C(F)F)=NN1C	REAL300020188299	0	39	-1.0	-49.87	327.70	3.62	-46.25
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C(C(F)F)=NN1C	REAL300020188299	1	39	-1.0	-49.87	327.75	3.63	-46.24
COC(=O)[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188300	0	44	-1.0	-50.31	343.89	3.45	-46.86
COC(=O)[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188300	1	44	-1.0	-50.32	343.92	3.46	-46.86
CCC1=CC=C(C(=O)C(=O)N2CCC(C3=N[N-]N=N3)CC2)S1	REAL300020188301	0	38	-1.0	-40.37	323.16	5.13	-35.24
CCC1=CC=C(C(=O)C(=O)N2CCC(C3=NN=N[N-]3)CC2)S1	REAL300020188301	1	38	-1.0	-40.30	323.22	5.15	-35.15
COC1=CC(Br)=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1F	REAL300020188302	0	37	-1.0	-42.75	326.01	4.44	-38.31
COC1=CC(Br)=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1F	REAL300020188302	1	37	-1.0	-42.77	326.06	4.46	-38.31
CN1C=C(NC(=O)OC(C)(C)C)C=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188303	0	51	-1.0	-44.61	394.14	4.04	-40.57
CN1C=C(NC(=O)OC(C)(C)C)C=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188303	1	51	-1.0	-44.57	394.20	4.05	-40.52
CC(C)(C)OC(=O)N1CC2(CCC2)C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188304	0	54	-1.0	-50.69	414.93	5.94	-44.75
CC(C)(C)OC(=O)N1CC2(CCC2)C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188304	1	54	-1.0	-50.74	414.99	5.95	-44.79
CC(C)(C)OC(=O)N1CCC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C12COC2	REAL300020188305	0	55	-1.0	-48.93	407.93	4.31	-44.62
CC(C)(C)OC(=O)N1CCC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C12COC2	REAL300020188305	1	55	-1.0	-48.95	407.99	4.32	-44.63
O=C(C1=CC(C2CCCC2)=NN1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188306	0	43	-1.0	-41.61	333.34	4.36	-37.25
O=C(C1=CC(C2CCCC2)=NN1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188306	1	43	-1.0	-41.66	333.40	4.38	-37.28
CC1(C)OC2=CC(C(=O)N3CCC(C4=N[N-]N=N4)CC3)=CC=C2NC1=O	REAL300020188307	0	45	-1.0	-46.34	360.88	3.00	-43.34
CC1(C)OC2=CC(C(=O)N3CCC(C4=NN=N[N-]4)CC3)=CC=C2NC1=O	REAL300020188307	1	45	-1.0	-46.36	360.94	3.01	-43.35
O=C(C1=CC=CC2=C1CCC(=O)N2)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188308	0	41	-1.0	-46.08	328.26	3.59	-42.49
O=C(C1=CC=CC2=C1CCC(=O)N2)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188308	1	41	-1.0	-46.09	328.32	3.60	-42.49
CN1N=CC2=NC(C(F)F)=C(C(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C21	REAL300020188309	0	41	-1.0	-41.19	344.18	3.34	-37.85
CN1N=CC2=NC(C(F)F)=C(C(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C21	REAL300020188309	1	41	-1.0	-41.22	344.24	3.36	-37.86
COC(=O)C1=CC=CC2=C(C(=O)N3CCC(C4=N[N-]N=N4)CC3)C=CC=C12	REAL300020188310	0	45	-1.0	-45.02	363.92	7.14	-37.88
COC(=O)C1=CC=CC2=C(C(=O)N3CCC(C4=NN=N[N-]4)CC3)C=CC=C12	REAL300020188310	1	45	-1.0	-45.04	363.97	7.16	-37.88
O=C(C1=CN=CC2=C1CCNC2=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188311	0	40	-1.0	-42.76	322.44	0.94	-41.82
O=C(C1=CN=CC2=C1CCNC2=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188311	1	40	-1.0	-42.78	322.50	0.95	-41.83
CC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=NC=C1C(F)F	REAL300020188312	0	38	-1.0	-44.40	314.39	4.94	-39.46
CC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=NC=C1C(F)F	REAL300020188312	1	38	-1.0	-44.34	314.45	4.96	-39.38
O=C(C1=CC2=C(CCCNC2=O)S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188313	0	41	-1.0	-50.89	336.88	2.68	-48.21
O=C(C1=CC2=C(CCCNC2=O)S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188313	1	41	-1.0	-50.92	336.94	2.69	-48.23
CN(C)C(=O)C1=CN=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020188314	0	42	-1.0	-49.62	335.71	2.30	-47.32
CN(C)C(=O)C1=CN=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020188314	1	42	-1.0	-49.60	335.65	2.29	-47.31
O=C(C1=NC2=C(Cl)N=CC=C2C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188315	0	37	-1.0	-46.33	322.34	4.39	-41.94
O=C(C1=NC2=C(Cl)N=CC=C2C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188315	1	37	-1.0	-46.28	322.29	4.37	-41.91
CCOCC(NC(=O)OC(C)(C)C)C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188316	0	53	-1.0	-44.05	412.15	2.32	-41.73
CCOCC(NC(=O)OC(C)(C)C)C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188316	1	53	-1.0	-44.04	412.21	2.34	-41.70
CC(C)(C)OC(=O)N1CCC(C)(CC(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020188317	0	56	-1.0	-43.98	418.99	6.05	-37.93
CC(C)(C)OC(=O)N1CCC(C)(CC(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020188317	1	56	-1.0	-43.99	419.05	6.06	-37.93
CC(C)(C)OC(=O)NC1CC(C)(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020188318	0	53	-1.0	-46.29	395.69	3.99	-42.30
CC(C)(C)OC(=O)NC1CC(C)(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020188318	1	53	-1.0	-46.25	395.75	4.00	-42.25
CC(C)(C)OC(=O)NC1CC2(C[C@@H]2C(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020188319	0	54	-1.0	-47.63	415.71	4.92	-42.71
CC(C)(C)OC(=O)NC1CC2(C[C@@H]2C(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020188319	1	54	-1.0	-47.66	415.77	4.93	-42.73
COC1=CC=CC=C1OC(C)C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188320	0	44	-1.0	-49.40	345.86	5.42	-43.98
COC1=CC=CC=C1OC(C)C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188320	1	44	-1.0	-49.43	345.91	5.44	-43.99
CC1=C(Cl)C=NN1CC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188321	0	36	-1.0	-45.29	312.16	3.77	-41.52
CC1=C(Cl)C=NN1CC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188321	1	36	-1.0	-45.27	312.22	3.78	-41.49
CC(C)(C)OC(=O)N1CCC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C12CCC2	REAL300020188322	0	57	-1.0	-46.59	409.94	5.55	-41.04
CC(C)(C)OC(=O)N1CCC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C12CCC2	REAL300020188322	1	57	-1.0	-46.58	409.99	5.57	-41.01
C[C@@H](ONC(=O)OC(C)(C)C)C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188323	0	47	-1.0	-50.74	369.65	3.41	-47.33
C[C@@H](ONC(=O)OC(C)(C)C)C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188323	1	47	-1.0	-50.76	369.71	3.42	-47.34
O=C(C1=C(F)C=C(Br)C=C1[N+](=O)[O-])N1CCC(C2=N[N-]N=N2)CC1	REAL300020188324	0	35	-1.0	-43.87	326.63	6.20	-37.67
O=C(C1=C(F)C=C(Br)C=C1[N+](=O)[O-])N1CCC(C2=NN=N[N-]2)CC1	REAL300020188324	1	35	-1.0	-43.88	326.68	6.21	-37.67
CC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1S(=O)(=O)N(C)C	REAL300020188325	0	47	-1.0	-52.40	373.05	2.90	-49.50
CC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1S(=O)(=O)N(C)C	REAL300020188325	1	47	-1.0	-52.35	373.11	2.92	-49.43
CCC1=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)N2C=C(C)SC2=N1	REAL300020188326	0	42	-1.0	-41.80	356.63	6.29	-35.51
CCC1=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)N2C=C(C)SC2=N1	REAL300020188326	1	42	-1.0	-41.81	356.69	6.31	-35.50
O=C(C1CCC(C2CCCO2)O1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188327	0	45	-1.0	-47.59	343.16	4.28	-43.31
O=C(C1CCC(C2CCCO2)O1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188327	1	45	-1.0	-47.63	343.23	4.30	-43.33
CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188328	0	54	-1.0	-53.45	402.49	6.64	-46.81
CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188328	1	54	-1.0	-53.45	402.55	6.65	-46.80
O=C(C1=CC=C(F)C(C(F)(F)F)=C1Cl)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188329	0	36	-1.0	-46.28	321.49	5.81	-40.47
O=C(C1=CC=C(F)C(C(F)(F)F)=C1Cl)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188329	1	36	-1.0	-46.24	321.55	5.82	-40.42
CC1=CC(F)=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1[N+](=O)[O-]	REAL300020188330	0	38	-1.0	-43.94	318.14	5.64	-38.30
CC1=CC(F)=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1[N+](=O)[O-]	REAL300020188330	1	38	-1.0	-43.89	318.20	5.65	-38.24
CN1N=NC2=C(C(=O)N3CCC(C4=NN=N[N-]4)CC3)C=CC=C21	REAL300020188331	0	38	-1.0	-59.12	314.39	3.05	-56.07
CN1N=NC2=C(C(=O)N3CCC(C4=N[N-]N=N4)CC3)C=CC=C21	REAL300020188331	1	38	-1.0	-59.08	314.34	3.03	-56.05
O=C(C1=CN=C2OCCCC2=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188332	0	40	-1.0	-46.56	319.18	1.98	-44.58
O=C(C1=CN=C2OCCCC2=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188332	1	40	-1.0	-46.55	319.13	1.97	-44.58
O=C(C1=CC(C2=CC=NC=C2)=NO1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188333	0	38	-1.0	-41.91	320.81	3.74	-38.17
O=C(C1=CC(C2=CC=NC=C2)=NO1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188333	1	38	-1.0	-41.92	320.87	3.76	-38.16
O=C(N1CCC(C2=N[N-]N=N2)CC1)C(F)(F)CCC1=CC=CC=C1	REAL300020188334	0	42	-1.0	-39.77	345.49	7.03	-32.74
O=C(N1CCC(C2=NN=N[N-]2)CC1)C(F)(F)CCC1=CC=CC=C1	REAL300020188334	1	42	-1.0	-39.79	345.55	7.04	-32.75
CC1=CC2=C(C=C(C(=O)N3CCC(C4=N[N-]N=N4)CC3)S2)S1	REAL300020188335	0	36	-1.0	-42.17	319.32	5.73	-36.44
CC1=CC2=C(C=C(C(=O)N3CCC(C4=NN=N[N-]4)CC3)S2)S1	REAL300020188335	1	36	-1.0	-42.23	319.38	5.74	-36.49
O=C(C1CC=CC2=CC=CC=C21)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188336	0	41	-1.0	-44.34	325.20	6.80	-37.54
O=C(C1CC=CC2=CC=CC=C21)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188336	1	41	-1.0	-44.33	325.26	6.81	-37.52
NS(=O)(=O)CC1=CC=CC=C1CC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188337	0	44	-1.0	-49.56	364.50	1.02	-48.54
NS(=O)(=O)CC1=CC=CC=C1CC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188337	1	44	-1.0	-49.57	364.56	1.04	-48.53
O=C(C1=CC2=CC=C(C(F)(F)F)C=C2S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188338	0	39	-1.0	-41.18	345.30	6.77	-34.41
O=C(C1=CC2=CC=C(C(F)(F)F)C=C2S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188338	1	39	-1.0	-41.19	345.36	6.79	-34.40
O=C(CC1(C2=CC=C(C(F)(F)F)C=C2)CC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188339	0	46	-1.0	-42.74	381.33	8.39	-34.35
O=C(CC1(C2=CC=C(C(F)(F)F)C=C2)CC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188339	1	46	-1.0	-42.73	381.39	8.41	-34.32
CON(CCC(=O)N1CCC(C2=N[N-]N=N2)CC1)C(=O)OC(C)(C)C	REAL300020188340	0	50	-1.0	-42.87	393.63	4.85	-38.02
CON(CCC(=O)N1CCC(C2=NN=N[N-]2)CC1)C(=O)OC(C)(C)C	REAL300020188340	1	50	-1.0	-42.88	393.69	4.86	-38.02
O=C(C1=CC2=NNN=C2C(Br)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188341	0	35	-1.0	-42.88	309.94	2.23	-40.65
O=C(C1=CC2=NNN=C2C(Br)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188341	1	35	-1.0	-42.91	309.99	2.25	-40.66
CC(C)(C)OC(=O)NC1=NOC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020188342	0	46	-1.0	-42.20	367.68	3.24	-38.96
CC(C)(C)OC(=O)NC1=NOC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020188342	1	46	-1.0	-42.17	367.74	3.26	-38.91
O=C(C1=CC=CC2=NC=CC=C12)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188343	0	38	-1.0	-45.93	309.96	4.82	-41.11
O=C(C1=CC=CC2=NC=CC=C12)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188343	1	38	-1.0	-45.94	309.90	4.80	-41.14
COC(=O)C1=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C(F)C=N1	REAL300020188344	0	38	-1.0	-43.42	327.46	3.38	-40.04
COC(=O)C1=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C(F)C=N1	REAL300020188344	1	38	-1.0	-43.38	327.40	3.36	-40.02
CC1=CC2=C(OCC2)C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020188345	0	41	-1.0	-48.89	328.35	4.99	-43.90
CC1=CC2=C(OCC2)C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020188345	1	41	-1.0	-48.93	328.41	5.01	-43.92
O=C(C1=C2SC=CC2=CN=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188346	0	35	-1.0	-45.49	302.80	4.00	-41.49
O=C(C1=C2SC=CC2=CN=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188346	1	35	-1.0	-45.46	302.74	3.98	-41.48
COC1CC2(C1)CC(C(=O)N1CCC(C3=N[N-]N=N3)CC1)C2	REAL300020188347	0	44	-1.0	-42.77	342.76	4.50	-38.27
COC1CC2(C1)CC(C(=O)N1CCC(C3=NN=N[N-]3)CC1)C2	REAL300020188347	1	44	-1.0	-42.81	342.82	4.52	-38.29
CC(C)OCC1=CC=CC=C1CC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188348	0	49	-1.0	-44.10	386.05	6.95	-37.15
CC(C)OCC1=CC=CC=C1CC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188348	1	49	-1.0	-44.08	386.11	6.96	-37.12
O=C([C@@H]1C[C@H]1C1=C(Cl)C=CC=C1Cl)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188349	0	40	-1.0	-43.54	350.53	7.56	-35.98
O=C([C@@H]1C[C@H]1C1=C(Cl)C=CC=C1Cl)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188349	1	40	-1.0	-43.54	350.59	7.57	-35.97
O=C(CC1CCCNC(=O)C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188350	0	43	-1.0	-54.09	327.00	2.32	-51.77
O=C(CC1CCCNC(=O)C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188350	1	43	-1.0	-54.08	327.06	2.34	-51.74
CC1(C(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1C(F)(F)F	REAL300020188351	0	36	-1.0	-41.71	296.83	4.39	-37.32
CC1(C(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1C(F)(F)F	REAL300020188351	1	36	-1.0	-41.68	296.88	4.41	-37.27
O=C(C1CCCCC12CCC2)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188352	0	46	-1.0	-40.74	327.39	6.36	-34.38
O=C(C1CCCCC12CCC2)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188352	1	46	-1.0	-40.76	327.44	6.37	-34.39
CC12CC(C(=O)N3CCC(C4=N[N-]N=N4)CC3)(CO1)CCC2	REAL300020188353	0	44	-1.0	-42.29	319.14	3.67	-38.62
CC12CC(C(=O)N3CCC(C4=NN=N[N-]4)CC3)(CO1)CCC2	REAL300020188353	1	44	-1.0	-42.32	319.19	3.68	-38.64
O=C([C@@H]1CCCC[C@H]1C1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188354	0	49	-1.0	-42.12	370.13	8.17	-33.95
O=C([C@@H]1CCCC[C@H]1C1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188354	1	49	-1.0	-42.12	370.19	8.18	-33.94
O=C(CN1C=C(I)C=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188355	0	33	-1.0	-48.79	303.17	3.94	-44.85
O=C(CN1C=C(I)C=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188355	1	33	-1.0	-48.82	303.12	3.93	-44.89
O=C(C1=CN=C2C=C(Br)C=CN12)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188356	0	36	-1.0	-43.57	314.48	5.31	-38.26
O=C(C1=CN=C2C=C(Br)C=CN12)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188356	1	36	-1.0	-43.55	314.42	5.29	-38.26
CN1C=NC2=C(C(=O)N3CCC(C4=NN=N[N-]4)CC3)C=CC=C21	REAL300020188357	0	39	-1.0	-55.79	320.73	5.85	-49.94
CN1C=NC2=C(C(=O)N3CCC(C4=N[N-]N=N4)CC3)C=CC=C21	REAL300020188357	1	39	-1.0	-55.80	320.68	5.84	-49.96
O=C(N1CCC(C2=N[N-]N=N2)CC1)C12CCCCC1C2(F)F	REAL300020188358	0	40	-1.0	-42.64	303.86	5.14	-37.50
O=C(N1CCC(C2=NN=N[N-]2)CC1)C12CCCCC1C2(F)F	REAL300020188358	1	40	-1.0	-42.68	303.92	5.16	-37.52
O=C(C1=C(Cl)C=NN1C1CCCC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188359	0	43	-1.0	-42.37	358.39	5.73	-36.64
O=C(C1=C(Cl)C=NN1C1CCCC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188359	1	43	-1.0	-42.36	358.33	5.71	-36.65
O=C(C1=CC(C2=CC=CC=N2)=NN1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188360	0	39	-1.0	-46.15	325.00	3.15	-43.00
O=C(C1=CC(C2=CC=CC=N2)=NN1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188360	1	39	-1.0	-46.13	325.05	3.16	-42.97
O=C(C1=CN(C2CCS(=O)(=O)C2)N=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188361	0	43	-1.0	-53.60	356.12	0.83	-52.77
O=C(C1=CN(C2CCS(=O)(=O)C2)N=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188361	1	43	-1.0	-53.63	356.07	0.81	-52.82
NC1=NC(Cl)=C(Cl)N=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188362	0	33	-1.0	-37.50	309.80	0.57	-36.93
NC1=NC(Cl)=C(Cl)N=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188362	1	33	-1.0	-37.49	309.74	0.55	-36.94
COC1=C(Cl)C=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C2=NC=CC=C21	REAL300020188363	0	42	-1.0	-48.31	361.32	5.11	-43.20
COC1=C(Cl)C=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C2=NC=CC=C21	REAL300020188363	1	42	-1.0	-48.33	361.26	5.09	-43.24
CN1N=CC(C(=O)OC(C)(C)C)=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188364	0	48	-1.0	-42.69	386.60	4.75	-37.94
CN1N=CC(C(=O)OC(C)(C)C)=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188364	1	48	-1.0	-42.67	386.55	4.74	-37.93
CC(C)(C)OC(=O)N1CCCC(C#N)(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020188365	0	54	-1.0	-53.17	408.66	5.22	-47.95
CC(C)(C)OC(=O)N1CCCC(C#N)(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020188365	1	54	-1.0	-53.21	408.71	5.23	-47.98
CC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C(Cl)N=C1C	REAL300020188529	0	38	-1.0	-47.00	318.91	4.22	-42.78
CC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C(Cl)N=C1C	REAL300020188529	1	38	-1.0	-47.05	318.97	4.24	-42.81
COC(=O)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1C(F)(F)F	REAL300020188530	0	42	-1.0	-47.67	355.38	5.89	-41.78
COC(=O)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1C(F)(F)F	REAL300020188530	1	42	-1.0	-47.62	355.44	5.90	-41.72
COC(=O)C1CCC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020188531	0	42	-1.0	-48.67	332.02	4.91	-43.76
COC(=O)C1CCC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020188531	1	42	-1.0	-48.70	332.08	4.93	-43.77
COC(=O)C1=NNC2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C21	REAL300020188532	0	42	-1.0	-46.20	351.71	3.77	-42.43
COC(=O)C1=NNC2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C21	REAL300020188532	1	42	-1.0	-46.20	351.77	3.79	-42.41
CC(C)(C)C1CCNC2=C(C(=O)N3CCC(C4=NN=N[N-]4)CC3)C=NN21	REAL300020188533	0	51	-1.0	-44.77	379.63	4.65	-40.12
CC(C)(C)C1CCNC2=C(C(=O)N3CCC(C4=N[N-]N=N4)CC3)C=NN21	REAL300020188533	1	51	-1.0	-44.76	379.58	4.63	-40.13
CNC1=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)SC2=NC=CN=C21	REAL300020188534	0	39	-1.0	-45.65	338.02	0.88	-44.77
CNC1=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)SC2=NC=CN=C21	REAL300020188534	1	39	-1.0	-45.69	337.96	0.86	-44.83
CC1=NN=C2SC(C(=O)N3CCC(C4=N[N-]N=N4)CC3)=C(N)C2=C1C	REAL300020188535	0	42	-1.0	-45.10	341.56	2.24	-42.86
CC1=NN=C2SC(C(=O)N3CCC(C4=NN=N[N-]4)CC3)=C(N)C2=C1C	REAL300020188535	1	42	-1.0	-45.12	341.61	2.26	-42.86
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C(C2=CC=C(C)C=C2)=NO1	REAL300020188536	0	45	-1.0	-41.05	371.88	7.11	-33.94
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C(C2=CC=C(C)C=C2)=NO1	REAL300020188536	1	45	-1.0	-41.09	371.83	7.09	-34.00
O=C(N1CCC(C2=NN=N[N-]2)CC1)C1(C2=NC=CC=C2F)CC1	REAL300020188537	0	39	-1.0	-43.77	322.79	5.03	-38.74
O=C(N1CCC(C2=N[N-]N=N2)CC1)C1(C2=NC=CC=C2F)CC1	REAL300020188537	1	39	-1.0	-43.78	322.73	5.02	-38.76
NC(=O)C1=CC=C(F)C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020188538	0	37	-1.0	-50.93	312.26	1.36	-49.57
NC(=O)C1=CC=C(F)C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020188538	1	37	-1.0	-50.92	312.32	1.38	-49.54
O=C(C(C1=CC=C(F)C=C1)C1CC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188539	0	43	-1.0	-41.11	345.25	7.35	-33.76
O=C(C(C1=CC=C(F)C=C1)C1CC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188539	1	43	-1.0	-41.16	345.30	7.36	-33.80
CC(C)(C)OC(=O)N1CC(N=[N+]=[N-])(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020188540	0	49	-1.0	-39.85	389.90	0.52	-39.33
CC(C)(C)OC(=O)N1CC(N=[N+]=[N-])(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020188540	1	49	-1.0	-39.85	389.97	0.54	-39.31
[N-]=[N+]=NC12CCC(C(=O)N3CCC(C4=N[N-]N=N4)CC3)(CC1)C2	REAL300020188541	0	42	-1.0	-42.24	324.36	1.59	-40.65
[N-]=[N+]=NC12CCC(C(=O)N3CCC(C4=NN=N[N-]4)CC3)(CC1)C2	REAL300020188541	1	42	-1.0	-42.25	324.42	1.61	-40.64
CC(C)(C)OC(=O)N1CCC(N=[N+]=[N-])(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020188542	0	52	-1.0	-42.62	402.59	1.37	-41.25
CC(C)(C)OC(=O)N1CCC(N=[N+]=[N-])(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020188542	1	52	-1.0	-42.61	402.64	1.38	-41.23
O=C(C1=NOC(C2=CC=C3OCOC3=C2)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188543	0	42	-1.0	-43.94	351.93	4.76	-39.18
O=C(C1=NOC(C2=CC=C3OCOC3=C2)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188543	1	42	-1.0	-43.90	351.87	4.74	-39.16
O=C(C1=CC(C2CCC2)=NO1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188544	0	39	-1.0	-40.43	313.27	4.49	-35.94
O=C(C1=CC(C2CCC2)=NO1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188544	1	39	-1.0	-40.44	313.33	4.51	-35.93
CC1=CC(C(F)(F)C(=O)N2CCC(C3=N[N-]N=N3)CC2)=CS1	REAL300020188545	0	36	-1.0	-40.19	314.71	5.19	-35.00
CC1=CC(C(F)(F)C(=O)N2CCC(C3=NN=N[N-]3)CC2)=CS1	REAL300020188545	1	36	-1.0	-40.14	314.77	5.20	-34.94
CC(C)(C)OC(=O)N1C[C@@H](N=[N+]=[N-])C[C@H]1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188546	0	52	-1.0	-52.44	412.15	1.62	-50.82
CC(C)(C)OC(=O)N1C[C@@H](N=[N+]=[N-])C[C@H]1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188546	1	52	-1.0	-52.45	412.21	1.63	-50.82
CC(C)(C)OC(=O)N1C[C@H](N=[N+]=[N-])C[C@H]1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188547	0	52	-1.0	-46.20	411.41	1.62	-44.58
CC(C)(C)OC(=O)N1C[C@H](N=[N+]=[N-])C[C@H]1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188547	1	52	-1.0	-46.17	411.47	1.63	-44.54
[N-]=[N+]=NCC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)O1	REAL300020188548	0	35	-1.0	-42.26	303.28	0.17	-42.09
[N-]=[N+]=NCC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)O1	REAL300020188548	1	35	-1.0	-42.31	303.34	0.19	-42.12
CC1=NN(CC(F)(F)F)C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020188549	0	39	-1.0	-43.01	327.60	4.05	-38.96
CC1=NN(CC(F)(F)F)C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020188549	1	39	-1.0	-43.05	327.66	4.07	-38.98
[N-]=[N+]=NCCCCCCC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188550	0	43	-1.0	-42.74	350.82	2.24	-40.50
[N-]=[N+]=NCCCCCCC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188550	1	43	-1.0	-42.72	350.88	2.26	-40.46
[N-]=[N+]=NCC1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020188551	0	38	-1.0	-44.00	321.37	1.69	-42.31
[N-]=[N+]=NCC1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020188551	1	38	-1.0	-44.03	321.43	1.71	-42.32
[N-]=[N+]=NCCCCCCCCCC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188552	0	52	-1.0	-43.39	415.32	4.58	-38.81
[N-]=[N+]=NCCCCCCCCCC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188552	1	52	-1.0	-43.41	415.37	4.60	-38.81
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C(Cl)N=C1Cl	REAL300020188553	0	35	-1.0	-39.57	314.45	4.12	-35.45
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C(Cl)N=C1Cl	REAL300020188553	1	35	-1.0	-39.57	314.39	4.10	-35.47
CC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C(N=[N+]=[N-])=C1	REAL300020188554	0	38	-1.0	-45.81	319.72	2.95	-42.86
CC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C(N=[N+]=[N-])=C1	REAL300020188554	1	38	-1.0	-45.84	319.77	2.96	-42.88
CC1=C(C)C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C(N2C=NN=N2)S1	REAL300020188555	0	41	-1.0	-49.79	353.56	5.27	-44.52
CC1=C(C)C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C(N2C=NN=N2)S1	REAL300020188555	1	41	-1.0	-49.80	353.50	5.25	-44.55
CC12CC3(C)CC(F)(C1)CC(C(=O)N1CCC(C4=N[N-]N=N4)CC1)(C2)C3	REAL300020188556	0	53	-1.0	-42.68	371.83	7.08	-35.60
CC12CC3(C)CC(F)(C1)CC(C(=O)N1CCC(C4=NN=N[N-]4)CC1)(C2)C3	REAL300020188556	1	53	-1.0	-42.73	371.89	7.10	-35.63
CN1C=C(C(F)(F)C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=N1	REAL300020188557	0	36	-1.0	-44.27	306.47	3.24	-41.03
CN1C=C(C(F)(F)C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=N1	REAL300020188557	1	36	-1.0	-44.31	306.41	3.22	-41.09
CC1(C(=O)N2CCC(C3=N[N-]N=N3)CC2)CCCCNC1=O	REAL300020188558	0	43	-1.0	-41.22	308.64	1.93	-39.29
CC1(C(=O)N2CCC(C3=NN=N[N-]3)CC2)CCCCNC1=O	REAL300020188558	1	43	-1.0	-41.19	308.69	1.94	-39.25
COC1=NC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C(C(F)(F)F)=N1	REAL300020188559	0	38	-1.0	-46.07	327.48	0.12	-45.95
COC1=NC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C(C(F)(F)F)=N1	REAL300020188559	1	38	-1.0	-46.07	327.42	0.10	-45.97
O=C(C1=C([N+](=O)[O-])C=NN1CC(F)F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188560	0	38	-1.0	-40.55	339.54	4.09	-36.46
O=C(C1=C([N+](=O)[O-])C=NN1CC(F)F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188560	1	38	-1.0	-40.54	339.49	4.08	-36.46
O=C(C1=CC=C(CN2CCOCC2)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188561	0	49	-1.0	-43.92	379.36	3.54	-40.38
O=C(C1=CC=C(CN2CCOCC2)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188561	1	49	-1.0	-43.93	379.42	3.55	-40.38
O=C(CC1CC[NH+](CC2=CC=CC=C2)CC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188562	0	55	0.0	-66.11	409.67	9.09	-57.02
O=C(CC1CC[NH+](CC2=CC=CC=C2)CC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188562	1	55	0.0	-66.06	409.73	9.11	-56.95
CC1CN(CC2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C2)CCO1	REAL300020188563	0	52	-1.0	-43.31	399.61	4.08	-39.23
CC1CN(CC2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C2)CCO1	REAL300020188563	1	52	-1.0	-43.35	399.67	4.10	-39.25
CC1C[N@H+](CC2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C2)CCO1	REAL300020188563	1	53	0.0	-74.03	401.27	6.52	-67.51
CC1C[N@@H+](CC2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C2)CCO1	REAL300020188563	1	53	0.0	-73.72	402.40	6.56	-67.16
CCNC(=O)N1CCC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1	REAL300020188564	0	48	-1.0	-50.01	363.73	3.32	-46.69
CCNC(=O)N1CCC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020188564	1	48	-1.0	-49.99	363.79	3.33	-46.66
COC1=CC([C@@H](C)CC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1C	REAL300020188565	0	49	-1.0	-42.41	379.10	6.75	-35.66
COC1=CC([C@@H](C)CC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1C	REAL300020188565	1	49	-1.0	-42.45	379.15	6.76	-35.69
C#CC1=CC=CC(OCC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020188566	0	39	-1.0	-48.39	330.87	6.57	-41.82
C#CC1=CC=CC(OCC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020188566	1	39	-1.0	-48.46	330.93	6.58	-41.88
O=C(C=CC1=CC=C2CCOCC2=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188567	0	45	-1.0	-44.03	357.24	6.02	-38.01
O=C(C=CC1=CC=C2CCOCC2=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188567	1	45	-1.0	-44.07	357.30	6.04	-38.03
O=C(C1CCCC2(CCC2)C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188568	0	46	-1.0	-40.81	339.53	6.53	-34.28
O=C(C1CCCC2(CCC2)C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188568	1	46	-1.0	-40.87	339.58	6.54	-34.33
CC(C)CN1N=CC=C1[C@@H]1C[C@H]1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188569	0	49	-1.0	-44.48	381.16	6.34	-38.14
CC(C)CN1N=CC=C1[C@@H]1C[C@H]1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188569	1	49	-1.0	-44.47	381.22	6.35	-38.12
CC(C)CN1C=C([C@@H]2C[C@H]2C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=N1	REAL300020188570	0	49	-1.0	-43.77	384.97	7.06	-36.71
CC(C)CN1C=C([C@@H]2C[C@H]2C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=N1	REAL300020188570	1	49	-1.0	-43.77	384.92	7.04	-36.73
O=C([C@@H]1C[C@H]1C1=CN(C2=CC=CC=C2)N=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188571	0	47	-1.0	-46.89	382.34	7.99	-38.90
O=C([C@@H]1C[C@H]1C1=CN(C2=CC=CC=C2)N=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188571	1	47	-1.0	-46.88	382.28	7.98	-38.90
CC(C)(C(=O)N1CCC(C2=N[N-]N=N2)CC1)N1C=CC(C2CC2)=N1	REAL300020188572	0	46	-1.0	-51.12	351.57	5.58	-45.54
CC(C)(C(=O)N1CCC(C2=NN=N[N-]2)CC1)N1C=CC(C2CC2)=N1	REAL300020188572	1	46	-1.0	-51.10	351.63	5.59	-45.51
O=C(C1CC2CCCCCCC21)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188573	0	49	-1.0	-41.53	342.98	6.93	-34.60
O=C(C1CC2CCCCCCC21)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188573	1	49	-1.0	-41.52	343.03	6.94	-34.58
CC(C)(C)OC(=O)N1CCC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C1(C)C	REAL300020188574	0	56	-1.0	-47.14	406.97	5.59	-41.55
CC(C)(C)OC(=O)N1CCC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C1(C)C	REAL300020188574	1	56	-1.0	-47.15	407.02	5.60	-41.55
O=C(C1=NN2CC3(CC3)CC2=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188575	0	41	-1.0	-45.39	328.28	4.97	-40.42
O=C(C1=NN2CC3(CC3)CC2=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188575	1	41	-1.0	-45.39	328.34	4.99	-40.40
COC12CCC(C(=O)N3CCC(C4=N[N-]N=N4)CC3)(CC1)C2	REAL300020188576	0	44	-1.0	-43.06	326.81	3.75	-39.31
COC12CCC(C(=O)N3CCC(C4=NN=N[N-]4)CC3)(CC1)C2	REAL300020188576	1	44	-1.0	-43.05	326.87	3.76	-39.29
CC(C)(C)OC(=O)N1CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)OCC1(C)C	REAL300020188577	0	57	-1.0	-43.36	420.20	5.36	-38.00
CC(C)(C)OC(=O)N1CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)OCC1(C)C	REAL300020188577	1	57	-1.0	-43.36	420.25	5.38	-37.98
CC(C)(C)OC(=O)C1CC12CCC(C(=O)N1CCC(C3=N[N-]N=N3)CC1)C2	REAL300020188578	0	55	-1.0	-43.17	417.28	8.29	-34.88
CC(C)(C)OC(=O)C1CC12CCC(C(=O)N1CCC(C3=NN=N[N-]3)CC1)C2	REAL300020188578	1	55	-1.0	-43.17	417.34	8.31	-34.86
O=C(CCC(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=C(Br)S1	REAL300020188579	0	38	-1.0	-41.76	348.82	5.92	-35.84
O=C(CCC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=C(Br)S1	REAL300020188579	1	38	-1.0	-41.78	348.88	5.93	-35.85
O=C(CC1=CC=C2OC=NC2=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188580	0	38	-1.0	-50.60	316.43	2.34	-48.26
O=C(CC1=CC=C2OC=NC2=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188580	1	38	-1.0	-50.60	316.49	2.36	-48.24
CC1=NC2=C(C#N)C=NN2C=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188581	0	39	-1.0	-45.11	336.93	4.47	-40.64
CC1=NC2=C(C#N)C=NN2C=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188581	1	39	-1.0	-45.18	336.99	4.49	-40.69
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)N2C=CC=CC2=N1	REAL300020188582	0	39	-1.0	-47.03	322.68	5.49	-41.54
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)N2C=CC=CC2=N1	REAL300020188582	1	39	-1.0	-47.02	322.74	5.50	-41.52
CC(C)CC1=NC=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020188583	0	43	-1.0	-41.31	342.37	5.23	-36.08
CC(C)CC1=NC=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020188583	1	43	-1.0	-41.30	342.43	5.24	-36.06
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O=C(N1CCC(C2=NN=N[N-]2)CC1)C12CC3CC(CC(C3)O1)C2	REAL300020188584	1	45	-1.0	-40.98	322.45	4.79	-36.19
O=C(N1CCC(C2=N[N-]N=N2)CC1)C1(C2=CC=CS2)CCOCC1	REAL300020188585	0	44	-1.0	-39.81	338.89	4.43	-35.38
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CC1=CC=C(C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C2CC2)C=C1	REAL300020188586	0	46	-1.0	-41.42	363.98	8.00	-33.42
CC1=CC=C(C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C2CC2)C=C1	REAL300020188586	1	46	-1.0	-41.38	364.04	8.02	-33.36
CN1C=C(Br)C(OCC(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020188587	0	37	-1.0	-48.96	331.12	2.46	-46.50
CN1C=C(Br)C(OCC(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020188587	1	37	-1.0	-48.96	331.06	2.45	-46.51
CC(C)(C)OC(=O)NCCC1(C(=O)N2CCC(C3=N[N-]N=N3)CC2)CCC1	REAL300020188588	0	56	-1.0	-50.62	419.82	4.24	-46.38
CC(C)(C)OC(=O)NCCC1(C(=O)N2CCC(C3=NN=N[N-]3)CC2)CCC1	REAL300020188588	1	56	-1.0	-50.63	419.87	4.25	-46.38
CC(C)(C)OC(=O)NCC1(C(=O)N2CCC(C3=N[N-]N=N3)CC2)CC=CC1	REAL300020188589	0	54	-1.0	-46.46	404.22	4.13	-42.33
CC(C)(C)OC(=O)NCC1(C(=O)N2CCC(C3=NN=N[N-]3)CC2)CC=CC1	REAL300020188589	1	54	-1.0	-46.51	404.28	4.16	-42.35
O=C(C1=NN2C=CC=NC2=C1Cl)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188590	0	35	-1.0	-50.31	307.74	4.32	-45.99
O=C(C1=NN2C=CC=NC2=C1Cl)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188590	1	35	-1.0	-50.30	307.68	4.30	-46.00
CCC1=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)N2C=CC=CC2=N1	REAL300020188591	0	42	-1.0	-43.41	344.09	6.24	-37.17
CCC1=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)N2C=CC=CC2=N1	REAL300020188591	1	42	-1.0	-43.40	344.15	6.25	-37.15
CC1=CC(F)=CC=C1C1(C(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1	REAL300020188592	0	43	-1.0	-44.08	338.50	6.77	-37.31
CC1=CC(F)=CC=C1C1(C(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020188592	1	43	-1.0	-44.01	338.55	6.78	-37.23
CC1=CC=C(F)C=C1C1(C(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1	REAL300020188593	0	43	-1.0	-42.18	340.05	6.89	-35.29
CC1=CC=C(F)C=C1C1(C(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020188593	1	43	-1.0	-42.18	340.11	6.90	-35.28
CC(C)(C)OC(=O)N1CC2CC(C1)C(C(=O)N1CCC(C3=N[N-]N=N3)CC1)C2	REAL300020188594	0	57	-1.0	-48.03	395.55	7.81	-40.22
CC(C)(C)OC(=O)N1CC2CC(C1)C(C(=O)N1CCC(C3=NN=N[N-]3)CC1)C2	REAL300020188594	1	57	-1.0	-48.07	395.61	7.83	-40.24
CC(C)(C)OC(=O)N1CCC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C12CC2	REAL300020188595	0	54	-1.0	-47.38	403.55	5.67	-41.71
CC(C)(C)OC(=O)N1CCC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C12CC2	REAL300020188595	1	54	-1.0	-47.40	403.61	5.69	-41.71
CC(C)(C)OC(=O)NC[C@@]1(F)C[C@H](C(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020188596	0	53	-1.0	-45.58	412.65	4.13	-41.45
CC(C)(C)OC(=O)NC[C@@]1(F)C[C@H](C(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020188596	1	53	-1.0	-45.53	412.71	4.15	-41.38
CC(C)(C)OC(=O)NC(CC1OCCO1)C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188597	0	55	-1.0	-42.90	408.09	2.33	-40.57
CC(C)(C)OC(=O)NC(CC1OCCO1)C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188597	1	55	-1.0	-42.95	408.15	2.34	-40.61
CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188598	0	59	-1.0	-42.83	434.05	6.31	-36.52
CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188598	1	59	-1.0	-42.85	434.10	6.32	-36.53
O=C(N1CCC(C2=N[N-]N=N2)CC1)C1(C2=CC=C([N+](=O)[O-])C=C2)CC1	REAL300020188599	0	42	-1.0	-47.79	347.35	6.99	-40.80
O=C(N1CCC(C2=NN=N[N-]2)CC1)C1(C2=CC=C([N+](=O)[O-])C=C2)CC1	REAL300020188599	1	42	-1.0	-47.76	347.40	7.01	-40.75
COC1=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C2=CC=CN=C2C=C1	REAL300020188600	0	42	-1.0	-46.38	343.74	4.24	-42.14
COC1=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C2=CC=CN=C2C=C1	REAL300020188600	1	42	-1.0	-46.36	343.68	4.23	-42.13
CC(C)C1=NN(C2=CC=C(F)C=C2)C=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188601	0	49	-1.0	-45.78	397.46	7.58	-38.20
CC(C)C1=NN(C2=CC=C(F)C=C2)C=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188601	1	49	-1.0	-45.77	397.51	7.60	-38.17
CC(C)(C)OC(=O)NC[C@@]1(F)C[C@@H](C(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020188602	0	53	-1.0	-44.36	413.78	4.18	-40.18
CC(C)(C)OC(=O)NC[C@@]1(F)C[C@@H](C(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020188602	1	53	-1.0	-44.37	413.84	4.20	-40.17
CC(C)(C)OC(=O)N[C@@H]1C[C@]2(C(=O)N3CCC(C4=N[N-]N=N4)CC3)C[C@H]12	REAL300020188603	0	51	-1.0	-44.11	396.56	4.09	-40.02
CC(C)(C)OC(=O)N[C@@H]1C[C@]2(C(=O)N3CCC(C4=NN=N[N-]4)CC3)C[C@H]12	REAL300020188603	1	51	-1.0	-44.15	396.62	4.10	-40.05
COC(=O)[C@@H]1C[C@@]1(C(=O)N1CCC(C2=N[N-]N=N2)CC1)C(C)C	REAL300020188604	0	45	-1.0	-45.64	345.46	5.53	-40.11
COC(=O)[C@@H]1C[C@@]1(C(=O)N1CCC(C2=NN=N[N-]2)CC1)C(C)C	REAL300020188604	1	45	-1.0	-45.70	345.52	5.54	-40.16
O=C(C1=C2C=CC=CN2C(Br)=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188605	0	36	-1.0	-47.74	317.02	6.41	-41.33
O=C(C1=C2C=CC=CN2C(Br)=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188605	1	36	-1.0	-47.78	316.97	6.40	-41.38
CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2CC[C@@]1(C(=O)N1CCC(C3=N[N-]N=N3)CC1)C2	REAL300020188606	0	57	-1.0	-50.67	412.16	5.26	-45.41
CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2CC[C@@]1(C(=O)N1CCC(C3=NN=N[N-]3)CC1)C2	REAL300020188606	1	57	-1.0	-50.70	412.22	5.27	-45.43
O=C(C1=NNC=C1C1CCC1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188607	0	40	-1.0	-45.78	314.18	4.12	-41.66
O=C(C1=NNC=C1C1CCC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188607	1	40	-1.0	-45.81	314.24	4.14	-41.67
CC1CC(C)(C(=O)N2CCC(C3=N[N-]N=N3)CC2)CC(C)O1	REAL300020188608	0	46	-1.0	-40.88	312.73	4.08	-36.80
CC1CC(C)(C(=O)N2CCC(C3=NN=N[N-]3)CC2)CC(C)O1	REAL300020188608	1	46	-1.0	-40.88	312.79	4.11	-36.77
O=C(N1CCC(C2=N[N-]N=N2)CC1)C1(C2=CC=C(Cl)C=C2)CC(F)(F)C1	REAL300020188609	0	43	-1.0	-43.76	357.89	7.22	-36.54
O=C(N1CCC(C2=NN=N[N-]2)CC1)C1(C2=CC=C(Cl)C=C2)CC(F)(F)C1	REAL300020188609	1	43	-1.0	-43.79	357.95	7.23	-36.56
COCCN1C=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C1=O	REAL300020188610	0	43	-1.0	-57.77	351.73	3.92	-53.85
COCCN1C=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C1=O	REAL300020188610	1	43	-1.0	-57.76	351.78	3.93	-53.83
O=C(C1=C2NC(=O)CCC2=CC=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188611	0	41	-1.0	-51.76	328.38	3.90	-47.86
O=C(C1=C2NC(=O)CCC2=CC=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188611	1	41	-1.0	-51.75	328.44	3.91	-47.84
O=C(C1=NN(CC(F)(F)F)C=C1Cl)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188612	0	36	-1.0	-48.65	327.29	4.72	-43.93
O=C(C1=NN(CC(F)(F)F)C=C1Cl)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188612	1	36	-1.0	-48.61	327.23	4.71	-43.90
CC1=CC=C(F)C=C1C(F)(F)C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188614	0	39	-1.0	-41.80	322.46	5.83	-35.97
CC1=CC=C(F)C=C1C(F)(F)C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188614	1	39	-1.0	-41.83	322.51	5.85	-35.98
O=C(C1=CC=CN(C2CCC2)C1=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188615	0	43	-1.0	-62.19	342.83	5.29	-56.90
O=C(C1=CC=CN(C2CCC2)C1=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188615	1	43	-1.0	-62.19	342.89	5.31	-56.88
O=C(C1=NN(CC(F)F)C=C1[N+](=O)[O-])N1CCC(C2=NN=N[N-]2)CC1	REAL300020188616	0	38	-1.0	-53.96	329.63	5.59	-48.37
O=C(C1=NN(CC(F)F)C=C1[N+](=O)[O-])N1CCC(C2=N[N-]N=N2)CC1	REAL300020188616	1	38	-1.0	-53.97	329.58	5.58	-48.39
O=C(N1CCC(C2=N[N-]N=N2)CC1)C(F)(F)C1=CC(F)=CC=C1F	REAL300020188617	0	36	-1.0	-41.17	312.58	5.47	-35.70
O=C(N1CCC(C2=NN=N[N-]2)CC1)C(F)(F)C1=CC(F)=CC=C1F	REAL300020188617	1	36	-1.0	-41.14	312.64	5.48	-35.66
O=C(N1CCC(C2=N[N-]N=N2)CC1)C(F)(F)C1=CC=CC(F)=C1F	REAL300020188618	0	36	-1.0	-46.30	309.59	5.24	-41.06
O=C(N1CCC(C2=NN=N[N-]2)CC1)C(F)(F)C1=CC=CC(F)=C1F	REAL300020188618	1	36	-1.0	-46.30	309.65	5.26	-41.04
CCC1=CC=CC=C1C(F)(F)C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188619	0	42	-1.0	-42.58	329.00	6.76	-35.82
CCC1=CC=CC=C1C(F)(F)C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188619	1	42	-1.0	-42.64	329.06	6.77	-35.87
O=C(CC(C1=CC=CC=C1)N1C=NN=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188620	0	44	-1.0	-51.29	354.25	5.86	-45.43
O=C(CC(C1=CC=CC=C1)N1C=NN=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188620	1	44	-1.0	-51.30	354.19	5.84	-45.46
CN1C2=C(CCCC1=O)OC=C2C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188621	0	44	-1.0	-50.24	346.87	4.18	-46.06
CN1C2=C(CCCC1=O)OC=C2C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188621	1	44	-1.0	-50.24	346.93	4.20	-46.04
CC(C1=CC=C(F)C=C1)N1CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1=O	REAL300020188622	0	50	-1.0	-45.49	392.86	7.06	-38.43
CC(C1=CC=C(F)C=C1)N1CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1=O	REAL300020188622	1	50	-1.0	-45.51	392.92	7.08	-38.43
O=C(C1=CC2=CC=C(Cl)N=C2S1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188623	0	35	-1.0	-43.07	318.26	4.34	-38.73
O=C(C1=CC2=CC=C(Cl)N=C2S1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188623	1	35	-1.0	-43.06	318.20	4.33	-38.73
O=C(CC1=C2NC=CC=C2N=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188624	0	39	-1.0	-59.97	321.07	3.64	-56.33
O=C(CC1=C2NC=CC=C2N=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188624	1	39	-1.0	-60.00	321.12	3.66	-56.34
COC1=C2NC=C(CC(=O)N3CCC(C4=N[N-]N=N4)CC3)C2=CC=C1	REAL300020188625	0	44	-1.0	-47.18	356.09	4.78	-42.40
COC1=C2NC=C(CC(=O)N3CCC(C4=NN=N[N-]4)CC3)C2=CC=C1	REAL300020188625	1	44	-1.0	-47.23	356.15	4.80	-42.43
O=C(C1=CC2=C(Cl)C=C(F)C=C2N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188626	0	37	-1.0	-41.96	323.74	5.47	-36.49
O=C(C1=CC2=C(Cl)C=C(F)C=C2N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188626	1	37	-1.0	-42.00	323.80	5.49	-36.51
COC(=O)C1=CC=C(CC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(C)=C1	REAL300020188627	0	45	-1.0	-46.17	366.19	6.58	-39.59
COC(=O)C1=CC=C(CC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(C)=C1	REAL300020188627	1	45	-1.0	-46.21	366.25	6.60	-39.61
O=C(C1=CC2=C(COCC2)N=C1Cl)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188628	0	40	-1.0	-46.68	334.16	3.14	-43.54
O=C(C1=CC2=C(COCC2)N=C1Cl)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188628	1	40	-1.0	-46.70	334.22	3.16	-43.54
CC1=C(Br)C(=O)C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=CN1C	REAL300020188629	0	39	-1.0	-53.38	335.30	4.82	-48.56
CC1=C(Br)C(=O)C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=CN1C	REAL300020188629	1	39	-1.0	-53.37	335.36	4.83	-48.54
O=C(C1CC2=CC(C(F)(F)F)=CC=C2C(=O)O1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188630	0	43	-1.0	-49.01	363.08	7.24	-41.77
O=C(C1CC2=CC(C(F)(F)F)=CC=C2C(=O)O1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188630	1	43	-1.0	-49.07	363.13	7.26	-41.81
CS(C)(=O)=NC1=CC=NC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020188631	0	42	-1.0	-59.34	345.25	1.84	-57.50
CS(C)(=O)=NC1=CC=NC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020188631	1	42	-1.0	-59.35	345.31	1.86	-57.49
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O=C(C1=CC2=C(Br)C=CC(F)=C2N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188632	1	37	-1.0	-42.03	328.24	5.55	-36.48
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)NC2=CC=C(C3=CC=CC=C3)C=C21	REAL300020188633	0	50	-1.0	-43.45	401.14	8.47	-34.98
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)NC2=CC=C(C3=CC=CC=C3)C=C21	REAL300020188633	1	50	-1.0	-43.44	401.20	8.49	-34.95
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)NC2=C1CCCC2	REAL300020188634	0	44	-1.0	-42.20	343.49	5.36	-36.84
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)NC2=C1CCCC2	REAL300020188634	1	44	-1.0	-42.22	343.54	5.37	-36.85
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O=C(C1=CC(CC2CCC2)=CN1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188635	1	44	-1.0	-44.33	345.62	6.31	-38.02
COC(=O)C1=CSC(CC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020188636	0	39	-1.0	-46.19	341.12	5.25	-40.94
COC(=O)C1=CSC(CC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020188636	1	39	-1.0	-46.19	341.18	5.26	-40.93
COC(=O)C1=CC=C(CC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1F	REAL300020188637	0	42	-1.0	-50.52	354.06	6.15	-44.37
COC(=O)C1=CC=C(CC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1F	REAL300020188637	1	42	-1.0	-50.47	354.12	6.16	-44.31
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C[C@H]1C(=O)N(CC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(=O)[C@H]1C	REAL300020188639	1	42	-1.0	-50.50	336.05	3.48	-47.02
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CC1=NOC2(CC(C(=O)N3CCC(C4=N[N-]N=N4)CC3)C2)C1	REAL300020188646	0	41	-1.0	-43.65	326.35	3.89	-39.76
CC1=NOC2(CC(C(=O)N3CCC(C4=NN=N[N-]4)CC3)C2)C1	REAL300020188646	1	41	-1.0	-43.65	326.41	3.91	-39.74
CC(C)CC1=CC=C2C(N)=C(C(=O)N3CCC(C4=N[N-]N=N4)CC3)SC2=N1	REAL300020188647	0	49	-1.0	-45.12	396.31	4.73	-40.39
CC(C)CC1=CC=C2C(N)=C(C(=O)N3CCC(C4=NN=N[N-]4)CC3)SC2=N1	REAL300020188647	1	49	-1.0	-45.14	396.37	4.74	-40.40
CCCC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=NN1C	REAL300020188648	0	42	-1.0	-45.35	335.40	4.82	-40.53
CCCC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=NN1C	REAL300020188648	1	42	-1.0	-45.38	335.45	4.83	-40.55
CCCC1=NN(C)C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020188649	0	42	-1.0	-42.20	331.77	4.30	-37.90
CCCC1=NN(C)C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020188649	1	42	-1.0	-42.23	331.82	4.32	-37.91
C[NH+](C)[C@H]1CC[C@@H](C(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1	REAL300020188650	0	48	0.0	-62.31	339.13	5.63	-56.68
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CC(C)CC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=NO1	REAL300020188654	0	41	-1.0	-41.73	328.99	5.23	-36.50
CC(C)CC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=NO1	REAL300020188654	1	41	-1.0	-41.71	329.04	5.25	-36.46
CC1=C(C2CC2)ON=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188655	0	39	-1.0	-42.28	318.08	5.40	-36.88
CC1=C(C2CC2)ON=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188655	1	39	-1.0	-42.27	318.13	5.41	-36.86
CC[C@@H]1C[C@H](C(=O)N2CCC(C3=N[N-]N=N3)CC2)N(C(=O)OC(C)(C)C)C1	REAL300020188656	0	56	-1.0	-47.02	422.44	6.25	-40.77
CC[C@@H]1C[C@H](C(=O)N2CCC(C3=NN=N[N-]3)CC2)N(C(=O)OC(C)(C)C)C1	REAL300020188656	1	56	-1.0	-47.05	422.50	6.27	-40.78
CC(C)(C)OC(=O)NC(C(=O)N1CCC(C2=N[N-]N=N2)CC1)C1CCCOC1	REAL300020188657	0	57	-1.0	-41.86	417.17	2.73	-39.13
CC(C)(C)OC(=O)NC(C(=O)N1CCC(C2=NN=N[N-]2)CC1)C1CCCOC1	REAL300020188657	1	57	-1.0	-41.90	417.23	2.75	-39.15
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CCC1=CC([N+](=O)[O-])=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188662	0	41	-1.0	-41.89	335.12	6.43	-35.46
CCC1=CC([N+](=O)[O-])=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188662	1	41	-1.0	-41.92	335.18	6.45	-35.47
CC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)=NN1CC(F)(F)F	REAL300020188663	0	39	-1.0	-45.84	331.74	4.53	-41.31
CC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)=NN1CC(F)(F)F	REAL300020188663	1	39	-1.0	-45.83	331.80	4.55	-41.28
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C[C@@H]1C[C@H]1C(=O)NC1=CC=C(F)C=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188668	1	47	-1.0	-41.84	383.47	5.98	-35.86
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CN1N=NC=C1C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1	REAL300020188672	0	42	-1.0	-48.15	338.30	4.15	-44.00
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CC(=O)NC(C(=O)N1CCC(C2=N[N-]N=N2)CC1)C1=CC=CC=C1	REAL300020188673	0	43	-1.0	-44.43	347.36	3.78	-40.65
CC(=O)NC(C(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC=CC=C1	REAL300020188673	1	43	-1.0	-44.43	347.42	3.79	-40.64
CCCC(C(=O)N1CCC(C2=N[N-]N=N2)CC1)N1SC2=CC=CC=C2C1=O	REAL300020188674	0	48	-1.0	-54.67	390.08	8.42	-46.25
CCCC(C(=O)N1CCC(C2=NN=N[N-]2)CC1)N1SC2=CC=CC=C2C1=O	REAL300020188674	1	48	-1.0	-54.74	390.14	8.43	-46.31
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CC(C)(C)C1=CC=CN=C1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188676	0	44	-1.0	-42.48	326.77	5.27	-37.21
CC(C)(C)C1=CC=CN=C1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188676	1	44	-1.0	-42.47	326.71	5.26	-37.21
CC(C)(C)OC(=O)N1CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020188677	0	51	-1.0	-46.57	386.50	5.26	-41.31
CC(C)(C)OC(=O)N1CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020188677	1	51	-1.0	-46.56	386.55	5.28	-41.28
CC1=C(F)C=CC=C1C1(C(=O)N2CCC(C3=N[N-]N=N3)CC2)CC1	REAL300020188678	0	43	-1.0	-44.44	338.83	6.86	-37.58
CC1=C(F)C=CC=C1C1(C(=O)N2CCC(C3=NN=N[N-]3)CC2)CC1	REAL300020188678	1	43	-1.0	-44.44	338.88	6.88	-37.56
O=C(N1CCC(C2=N[N-]N=N2)CC1)C1(C2=CC=CS2)CCCC1	REAL300020188679	0	43	-1.0	-40.26	334.37	6.31	-33.95
O=C(N1CCC(C2=NN=N[N-]2)CC1)C1(C2=CC=CS2)CCCC1	REAL300020188679	1	43	-1.0	-40.32	334.42	6.33	-33.99
O=C(C1=NOC(COC2=CC=C(F)C=C2F)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188680	0	43	-1.0	-45.87	370.08	5.87	-40.00
O=C(C1=NOC(COC2=CC=C(F)C=C2F)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188680	1	43	-1.0	-45.91	370.14	5.89	-40.02
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O=C(C(C1=CC=CS1)C1CCCCC1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188681	1	49	-1.0	-42.26	376.84	8.04	-34.22
C=C(C)[C@@H]1OCCC[C@H]1C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188682	0	44	-1.0	-41.09	339.72	4.39	-36.70
C=C(C)[C@@H]1OCCC[C@H]1C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188682	1	44	-1.0	-41.10	339.78	4.40	-36.70
NC1=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C=NN1C1=CC=C(F)C=C1	REAL300020188683	0	42	-1.0	-43.94	347.04	4.71	-39.23
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CS(C)(=O)=NC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)CC2)S1	REAL300020188735	1	40	-1.0	-60.04	343.57	1.88	-58.16
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O=C(CCC(=O)N1CCC(C2=NN=N[N-]2)CC1)C1=CC(Br)=CS1	REAL300020188736	1	38	-1.0	-42.73	348.72	5.82	-36.91
CC(C)C[N@@H+]1CCCC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020188737	0	51	0.0	-61.99	371.03	6.79	-55.20
CC(C)C[N@H+]1CCCC(C(=O)N2CCC(C3=N[N-]N=N3)CC2)C1	REAL300020188737	1	51	0.0	-61.55	371.32	6.80	-54.75
CC(C)C[N@@H+]1CCCC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020188737	1	51	0.0	-61.99	371.03	6.79	-55.20
CC(C)C[N@H+]1CCCC(C(=O)N2CCC(C3=NN=N[N-]3)CC2)C1	REAL300020188737	1	51	0.0	-61.55	371.32	6.80	-54.75
CCC(=CC1=CC=CC=C1)C(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020188738	0	43	-1.0	-44.03	326.82	6.61	-37.42
CCC(=CC1=CC=CC=C1)C(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020188738	1	43	-1.0	-44.05	326.88	6.63	-37.42
O=C(CCCC1=CSC2=CC=CC=C12)N1CCC(C2=N[N-]N=N2)C1	REAL300020192529	0	42	-1.0	-46.86	359.99	7.70	-39.16
O=C(CCCC1=CSC2=CC=CC=C12)N1CCC(C2=NN=N[N-]2)C1	REAL300020192529	1	42	-1.0	-46.93	360.07	7.71	-39.22
CN1N=C(C2=CC=C(Cl)C=C2)C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192530	0	40	-1.0	-41.48	346.62	5.55	-35.93
CN1N=C(C2=CC=C(Cl)C=C2)C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192530	1	40	-1.0	-41.52	346.55	5.54	-35.98
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(C2=CC=CC=N2)=NO1	REAL300020192531	0	38	-1.0	-47.42	333.60	4.15	-43.27
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(C2=CC=CC=N2)=NO1	REAL300020192531	1	38	-1.0	-47.46	333.67	4.15	-43.31
CC1=CC=C(OCCCC(=O)N2CCC(C3=N[N-]N=N3)C2)C(C)=C1	REAL300020192532	0	46	-1.0	-46.72	373.58	6.58	-40.14
CC1=CC=C(OCCCC(=O)N2CCC(C3=NN=N[N-]3)C2)C(C)=C1	REAL300020192532	1	46	-1.0	-46.74	373.65	6.59	-40.15
O=C(CCCC1=C(Cl)SC(Cl)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192533	0	36	-1.0	-44.20	345.97	6.45	-37.75
O=C(CCCC1=C(Cl)SC(Cl)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192533	1	36	-1.0	-44.21	346.04	6.46	-37.75
O=C(OCC1=CC=CC=C1)N1CCC[C@H]1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192534	0	48	-1.0	-53.12	395.33	6.29	-46.83
O=C(OCC1=CC=CC=C1)N1CCC[C@H]1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192534	1	48	-1.0	-53.16	395.41	6.30	-46.86
CC1=CC(I)=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1C	REAL300020192535	0	36	-1.0	-40.52	317.14	5.97	-34.55
CC1=CC(I)=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1C	REAL300020192535	1	36	-1.0	-40.54	317.21	5.99	-34.55
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CCC(C4=N[N-]N=N4)C3)=N2)C=C1	REAL300020192536	0	46	-2.0	-106.14	381.44	5.36	-100.78
CC(C)C1=CC=C(N2C=C([O-])C(C(=O)N3CCC(C4=NN=N[N-]4)C3)=N2)C=C1	REAL300020192536	1	46	-2.0	-106.12	381.51	5.37	-100.75
O=C(C1=CC=CC(OC(F)(F)F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192537	0	34	-1.0	-40.66	296.02	3.36	-37.30
O=C(C1=CC=CC(OC(F)(F)F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192537	1	34	-1.0	-40.68	296.10	3.38	-37.30
COC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1I	REAL300020192538	0	34	-1.0	-41.88	306.12	4.01	-37.87
COC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1I	REAL300020192538	1	34	-1.0	-41.88	306.19	4.02	-37.86
CC1=CC=C(I)C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192539	0	33	-1.0	-40.78	300.03	5.41	-35.37
CC1=CC=C(I)C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192539	1	33	-1.0	-40.77	300.10	5.42	-35.35
O=C(CCSC1=CC=CC=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192540	0	36	-1.0	-46.87	319.07	4.46	-42.41
O=C(CCSC1=CC=CC=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192540	1	36	-1.0	-46.85	319.00	4.46	-42.39
CC(NS(=O)(=O)C1=CN(C)N=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192541	0	41	-1.0	-48.10	357.10	-1.39	-49.49
CC(NS(=O)(=O)C1=CN(C)N=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192541	1	41	-1.0	-48.06	357.03	-1.40	-49.46
COC(=O)NC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC(C(F)(F)F)=C1	REAL300020192542	0	41	-1.0	-47.63	356.00	2.79	-44.84
COC(=O)NC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC(C(F)(F)F)=C1	REAL300020192542	1	41	-1.0	-47.61	356.08	2.81	-44.80
O=C(C1=CC=C(Br)C(Cl)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192543	0	30	-1.0	-42.04	286.13	4.63	-37.41
O=C(C1=CC=C(Br)C(Cl)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192543	1	30	-1.0	-42.08	286.21	4.63	-37.45
O=C(C1=CC=NC=C1Br)N1CCC(C2=NN=N[N-]2)C1	REAL300020192544	0	29	-1.0	-41.74	267.57	2.55	-39.19
O=C(C1=CC=NC=C1Br)N1CCC(C2=N[N-]N=N2)C1	REAL300020192544	1	29	-1.0	-41.75	267.50	2.55	-39.20
COC1=C(S(N)(=O)=O)SC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020192545	0	36	-1.0	-47.42	327.85	-2.46	-49.88
COC1=C(S(N)(=O)=O)SC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020192545	1	36	-1.0	-47.45	327.92	-2.45	-49.90
CSC1=NC(=O)NC(C)=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192546	0	36	-1.0	-45.59	319.62	0.65	-44.94
CSC1=NC(=O)NC(C)=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192546	1	36	-1.0	-45.62	319.70	0.66	-44.96
C[NH+](C)CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)SC=C1	REAL300020192547	0	39	0.0	-51.46	316.05	4.73	-46.73
C[NH+](C)CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)SC=C1	REAL300020192547	1	39	0.0	-51.45	316.11	4.74	-46.71
CN(C)CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)SC=C1	REAL300020192547	1	38	-1.0	-42.62	315.44	2.29	-40.33
CN(C)CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)SC=C1	REAL300020192547	1	38	-1.0	-42.66	315.51	2.31	-40.35
COC1=CC=C2OCC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=CC2=C1	REAL300020192548	0	40	-1.0	-42.51	335.57	3.69	-38.82
COC1=CC=C2OCC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=CC2=C1	REAL300020192548	1	40	-1.0	-42.53	335.64	3.70	-38.83
O=C(C1=CC(C2=CC=CC=C2F)=NN1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192549	0	37	-1.0	-43.75	316.66	4.24	-39.51
O=C(C1=CC(C2=CC=CC=C2F)=NN1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192549	1	37	-1.0	-43.75	316.73	4.24	-39.51
O=C(N1CCC(C2=N[N-]N=N2)C1)C12CC3CC(CC(F)(C3)C1)C2	REAL300020192550	0	44	-1.0	-45.11	316.32	5.44	-39.67
O=C(N1CCC(C2=NN=N[N-]2)C1)C12CC3CC(CC(F)(C3)C1)C2	REAL300020192550	1	44	-1.0	-45.14	316.39	5.45	-39.69
CC1=CC=CC(C)=C1NC(=O)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192551	0	40	-1.0	-38.89	326.88	3.89	-35.00
CC1=CC=CC(C)=C1NC(=O)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192551	1	40	-1.0	-38.91	326.95	3.89	-35.02
O=C(C1=NN(C2CCCC2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192552	0	40	-1.0	-44.09	321.50	4.65	-39.44
O=C(C1=NN(C2CCCC2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192552	1	40	-1.0	-44.10	321.43	4.63	-39.47
CC1=NC(CC(C)C)=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020192553	0	41	-1.0	-40.85	328.87	4.11	-36.74
CC1=NC(CC(C)C)=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020192553	1	41	-1.0	-40.84	328.95	4.11	-36.73
CC(C)CC(C(=O)N1CCC(C2=N[N-]N=N2)C1)N1CCCCC1=O	REAL300020192554	0	49	-1.0	-44.10	368.06	6.77	-37.33
CC(C)CC(C(=O)N1CCC(C2=NN=N[N-]2)C1)N1CCCCC1=O	REAL300020192554	1	49	-1.0	-44.10	368.13	6.78	-37.32
CC(CS(=O)(=O)C1=CC=C(F)C=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192555	0	42	-1.0	-45.78	361.37	3.21	-42.57
CC(CS(=O)(=O)C1=CC=C(F)C=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192555	1	42	-1.0	-45.76	361.44	3.21	-42.55
CC(CSC1=CC=C(F)C=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192556	0	40	-1.0	-42.09	343.59	6.47	-35.62
CC(CSC1=CC=C(F)C=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192556	1	40	-1.0	-42.07	343.66	6.49	-35.58
CCC1=NOC(CC)=C1CC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192557	0	41	-1.0	-46.93	339.71	5.04	-41.89
CCC1=NOC(CC)=C1CC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192557	1	41	-1.0	-46.92	339.78	5.05	-41.87
CC1=NN(C2=CC=CC=C2C)C2=C1C=C(C(=O)N1CCC(C3=N[N-]N=N3)C1)S2	REAL300020192558	0	46	-1.0	-44.20	390.95	7.80	-36.40
CC1=NN(C2=CC=CC=C2C)C2=C1C=C(C(=O)N1CCC(C3=NN=N[N-]3)C1)S2	REAL300020192558	1	46	-1.0	-44.19	391.02	7.81	-36.38
CC(C)(OC1=CC=C(C#N)C=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192559	0	41	-1.0	-43.68	331.71	4.78	-38.90
CC(C)(OC1=CC=C(C#N)C=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192559	1	41	-1.0	-43.67	331.78	4.78	-38.89
O=C(CNC(=O)C1=CC=CC=C1C(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020192560	0	40	-1.0	-45.58	345.24	3.58	-42.00
O=C(CNC(=O)C1=CC=CC=C1C(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020192560	1	40	-1.0	-45.61	345.32	3.59	-42.02
CN1C=C(CCC(=O)N2CCC(C3=N[N-]N=N3)C2)C2=CC=CC=C21	REAL300020192561	0	43	-1.0	-45.47	356.49	7.35	-38.12
CN1C=C(CCC(=O)N2CCC(C3=NN=N[N-]3)C2)C2=CC=CC=C21	REAL300020192561	1	43	-1.0	-45.50	356.56	7.36	-38.14
O=C(CCC1=CC=C2OCCC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192562	0	41	-1.0	-44.31	338.02	5.41	-38.90
O=C(CCC1=CC=C2OCCC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192562	1	41	-1.0	-44.31	338.10	5.43	-38.88
O=C(CCC(=O)N1CCN(C2=CC=CC=N2)CC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192563	0	51	-1.0	-46.04	405.66	4.47	-41.57
O=C(CCC(=O)N1CCN(C2=CC=CC=N2)CC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192563	1	51	-1.0	-46.09	405.74	4.48	-41.61
O=C(CCC(=O)N1CCN(C2=CC=CC=C2)CC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192564	0	52	-1.0	-43.72	407.97	5.03	-38.69
O=C(CCC(=O)N1CCN(C2=CC=CC=C2)CC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192564	1	52	-1.0	-43.70	408.04	5.03	-38.67
COC1=C(F)C=CC(F)=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192565	0	34	-1.0	-44.66	304.96	3.49	-41.17
COC1=C(F)C=CC(F)=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192565	1	34	-1.0	-44.69	305.03	3.50	-41.19
CC(NS(=O)(=O)C1=CC=C(C(N)=O)C=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192566	0	45	-1.0	-53.39	386.02	-2.35	-55.74
CC(NS(=O)(=O)C1=CC=C(C(N)=O)C=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192566	1	45	-1.0	-53.41	386.09	-2.35	-55.76
O=C(C1=CC=NN1C1CCCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192567	0	40	-1.0	-41.89	314.99	4.37	-37.52
O=C(C1=CC=NN1C1CCCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192567	1	40	-1.0	-41.88	314.92	4.35	-37.53
COC1=CC=C(C(C)(C)C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020192568	0	43	-1.0	-42.93	330.90	4.86	-38.07
COC1=CC=C(C(C)(C)C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020192568	1	43	-1.0	-42.88	330.97	4.87	-38.01
O=C(CCC(=O)N1CCN(C2=NC=CC=N2)CC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192569	0	50	-1.0	-47.29	402.10	4.70	-42.59
O=C(CCC(=O)N1CCN(C2=NC=CC=N2)CC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192569	1	50	-1.0	-47.24	402.03	4.69	-42.55
CCOCCC1(C(=O)N2CCC(C3=N[N-]N=N3)C2)CCCC1	REAL300020192570	0	46	-1.0	-43.74	344.92	4.25	-39.49
CCOCCC1(C(=O)N2CCC(C3=NN=N[N-]3)C2)CCCC1	REAL300020192570	1	46	-1.0	-43.73	344.99	4.27	-39.46
O=C(C1=CN=CC(OCC(F)F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192571	0	36	-1.0	-46.74	309.49	2.33	-44.41
O=C(C1=CN=CC(OCC(F)F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192571	1	36	-1.0	-46.76	309.42	2.31	-44.45
CC(C)(CC1=CC=CC(Cl)=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192572	0	42	-1.0	-41.74	336.82	6.27	-35.47
CC(C)(CC1=CC=CC(Cl)=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192572	1	42	-1.0	-41.73	336.89	6.28	-35.45
CC1=C(S(=O)(=O)N(C)C)C=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)O1	REAL300020192573	0	41	-1.0	-47.70	351.27	0.70	-47.00
CC1=C(S(=O)(=O)N(C)C)C=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)O1	REAL300020192573	1	41	-1.0	-47.70	351.34	0.70	-47.00
CCC1=NC(C2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2)=NN1	REAL300020192574	0	42	-1.0	-47.19	348.37	4.91	-42.28
CCC1=NC(C2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2)=NN1	REAL300020192574	1	42	-1.0	-47.19	348.45	4.93	-42.26
O=C(C1=CC(Br)=CC([N+](=O)[O-])=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192575	0	32	-1.0	-39.03	299.39	4.85	-34.18
O=C(C1=CC(Br)=CC([N+](=O)[O-])=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192575	1	32	-1.0	-39.03	299.47	4.86	-34.17
COC(=O)C1=C(C)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C(C)N1	REAL300020192576	0	40	-1.0	-46.26	340.69	3.49	-42.77
COC(=O)C1=C(C)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C(C)N1	REAL300020192576	1	40	-1.0	-46.28	340.76	3.50	-42.78
O=C(C#CC1=CC=C2OCOC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192577	0	35	-1.0	-44.27	313.96	4.09	-40.18
O=C(C#CC1=CC=C2OCOC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192577	1	35	-1.0	-44.26	314.04	4.11	-40.15
CC(C)NC(=O)N1CCC[C@H]1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192578	0	45	-1.0	-56.84	354.11	3.91	-52.93
CC(C)NC(=O)N1CCC[C@H]1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192578	1	45	-1.0	-56.82	354.18	3.92	-52.90
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)S(=O)(=O)CCO1	REAL300020192579	0	35	-1.0	-59.15	302.65	-0.71	-59.86
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)S(=O)(=O)CCO1	REAL300020192579	1	35	-1.0	-59.14	302.73	-0.70	-59.84
CC1=CC=C(C2=CN=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C2)C=C1	REAL300020192580	0	42	-1.0	-42.91	340.86	5.90	-37.01
CC1=CC=C(C2=CN=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C2)C=C1	REAL300020192580	1	42	-1.0	-42.87	340.79	5.88	-36.99
COC1=CC=C(C2=CN=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C2)C=C1	REAL300020192581	0	43	-1.0	-44.04	348.91	4.52	-39.52
COC1=CC=C(C2=CN=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C2)C=C1	REAL300020192581	1	43	-1.0	-44.04	348.84	4.50	-39.54
O=C(CC1=CC=CC(OCC(F)(F)F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192582	0	40	-1.0	-47.49	351.66	5.45	-42.04
O=C(CC1=CC=CC(OCC(F)(F)F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192582	1	40	-1.0	-47.52	351.74	5.47	-42.05
O=C(C1=CC=C(Br)C(C(F)(F)F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192583	0	33	-1.0	-39.36	305.46	5.06	-34.30
O=C(C1=CC=C(Br)C(C(F)(F)F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192583	1	33	-1.0	-39.36	305.54	5.08	-34.28
CC1=CC=CC(I)=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192584	0	33	-1.0	-43.56	305.51	5.43	-38.13
CC1=CC=CC(I)=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192584	1	33	-1.0	-43.57	305.59	5.43	-38.14
O=C(C1=CN=CC(C2=CC=CC=C2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192585	0	39	-1.0	-42.97	319.45	5.22	-37.75
O=C(C1=CN=CC(C2=CC=CC=C2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192585	1	39	-1.0	-42.93	319.38	5.22	-37.71
O=C(C1=CN=CC(C2=CC=C(Cl)C=C2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192586	0	39	-1.0	-43.17	336.17	5.74	-37.43
O=C(C1=CN=CC(C2=CC=C(Cl)C=C2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192586	1	39	-1.0	-43.16	336.10	5.74	-37.42
O=C(C1=CC=C(F)C=C1[N+](=O)[O-])N1CCC(C2=N[N-]N=N2)C1	REAL300020192587	0	32	-1.0	-48.63	285.60	5.34	-43.29
O=C(C1=CC=C(F)C=C1[N+](=O)[O-])N1CCC(C2=NN=N[N-]2)C1	REAL300020192587	1	32	-1.0	-48.63	285.67	5.35	-43.28
CCC(CC1=CC=CC=C1Br)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192588	0	42	-1.0	-42.33	346.43	6.77	-35.56
CCC(CC1=CC=CC=C1Br)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192588	1	42	-1.0	-42.32	346.50	6.78	-35.54
O=C(C1=CN=CC(C2=CC=C3OCCC3=C2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192589	0	44	-1.0	-45.08	355.39	5.08	-40.00
O=C(C1=CN=CC(C2=CC=C3OCCC3=C2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192589	1	44	-1.0	-45.09	355.31	5.06	-40.03
COC1=CC=C(F)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1F	REAL300020192590	0	34	-1.0	-48.63	301.65	3.32	-45.31
COC1=CC=C(F)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1F	REAL300020192590	1	34	-1.0	-48.61	301.72	3.33	-45.28
CCC(CC)N1N=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192591	0	42	-1.0	-41.61	330.30	4.52	-37.09
CCC(CC)N1N=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192591	1	42	-1.0	-41.58	330.23	4.50	-37.08
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(CC2=CC=CC=C2)CCC1	REAL300020192592	0	43	-1.0	-46.50	334.99	6.65	-39.85
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(CC2=CC=CC=C2)CCC1	REAL300020192592	1	43	-1.0	-46.46	335.06	6.66	-39.80
COC1=CC=C(Br)C(CC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020192593	0	37	-1.0	-45.16	327.92	4.53	-40.63
COC1=CC=C(Br)C(CC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020192593	1	37	-1.0	-45.14	327.99	4.54	-40.60
CC1=CC2=C(N3CCCC3C(=O)N3CCC(C4=NN=N[N-]4)C3)N=CN=C2S1	REAL300020192594	0	46	-1.0	-50.13	378.21	5.26	-44.87
CC1=CC2=C(N3CCCC3C(=O)N3CCC(C4=N[N-]N=N4)C3)N=CN=C2S1	REAL300020192594	1	46	-1.0	-50.13	378.13	5.24	-44.89
COC1=CC=C(C(=O)NC2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)S2)C=C1	REAL300020192595	0	45	-1.0	-48.35	383.62	4.20	-44.15
COC1=CC=C(C(=O)NC2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)S2)C=C1	REAL300020192595	1	45	-1.0	-48.39	383.69	4.20	-44.19
CCCOC1=CC=CC(CC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020192596	0	43	-1.0	-46.20	353.59	5.79	-40.41
CCCOC1=CC=CC(CC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020192596	1	43	-1.0	-46.21	353.67	5.80	-40.41
O=C(C1=CC=CC(OC2=CC=C(Cl)C=C2)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192597	0	40	-1.0	-43.22	347.32	5.81	-37.41
O=C(C1=CC=CC(OC2=CC=C(Cl)C=C2)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192597	1	40	-1.0	-43.19	347.24	5.79	-37.40
O=C(C1=CC=C(N2CCCC3=CC=CC=C32)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192598	0	49	-1.0	-43.52	386.32	8.62	-34.90
O=C(C1=CC=C(N2CCCC3=CC=CC=C32)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192598	1	49	-1.0	-43.51	386.40	8.64	-34.87
O=C(C1=CC=CC(OCC(F)(F)F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192599	0	37	-1.0	-45.48	320.95	4.25	-41.23
O=C(C1=CC=CC(OCC(F)(F)F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192599	1	37	-1.0	-45.50	321.03	4.26	-41.24
COCCCS(=O)(=O)NCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192600	0	41	-1.0	-53.83	353.84	-2.01	-55.84
COCCCS(=O)(=O)NCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192600	1	41	-1.0	-53.79	353.92	-1.99	-55.78
O=C(C1=CC(C(F)(F)F)=CC=C1Br)N1CCC(C2=N[N-]N=N2)C1	REAL300020192601	0	33	-1.0	-41.24	311.30	5.33	-35.91
O=C(C1=CC(C(F)(F)F)=CC=C1Br)N1CCC(C2=NN=N[N-]2)C1	REAL300020192601	1	33	-1.0	-41.27	311.37	5.33	-35.94
CCC(CC)N1C=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020192602	0	42	-1.0	-44.74	335.86	4.71	-40.03
CCC(CC)N1C=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020192602	1	42	-1.0	-44.71	335.79	4.70	-40.01
N#CC1=CC=CC=C1NC(=O)CCCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192603	0	44	-1.0	-53.61	376.47	5.08	-48.53
N#CC1=CC=CC=C1NC(=O)CCCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192603	1	44	-1.0	-53.63	376.55	5.09	-48.54
CC(C)(C)C(NS(C)(=O)=O)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192604	0	43	-1.0	-45.62	341.92	-0.27	-45.89
CC(C)(C)C(NS(C)(=O)=O)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192604	1	43	-1.0	-45.67	342.00	-0.25	-45.92
O=C(C1=CC=C(SC2CCOC2=O)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192605	0	41	-1.0	-48.95	342.51	5.71	-43.24
O=C(C1=CC=C(SC2CCOC2=O)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192605	1	41	-1.0	-48.94	342.59	5.73	-43.21
COC1=CC=C(C(C)(C)C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1OC	REAL300020192606	0	47	-1.0	-44.91	359.88	4.96	-39.95
COC1=CC=C(C(C)(C)C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1OC	REAL300020192606	1	47	-1.0	-44.92	359.96	4.96	-39.96
CC1=CC=CC(C2=CN=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C2)=C1	REAL300020192607	0	42	-1.0	-42.85	340.86	5.89	-36.96
CC1=CC=CC(C2=CN=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C2)=C1	REAL300020192607	1	42	-1.0	-42.83	340.79	5.87	-36.96
COC(=O)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1F	REAL300020192608	0	36	-1.0	-46.95	309.33	4.25	-42.70
COC(=O)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1F	REAL300020192608	1	36	-1.0	-46.97	309.40	4.25	-42.72
CC1(C2=CC=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C2)NC(=O)NC1=O	REAL300020192609	0	42	-1.0	-50.78	345.90	0.58	-50.20
CC1(C2=CC=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C2)NC(=O)NC1=O	REAL300020192609	1	42	-1.0	-50.77	345.97	0.60	-50.17
CC1(C)C(=O)NC2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=C21	REAL300020192610	0	41	-1.0	-44.65	333.29	3.06	-41.59
CC1(C)C(=O)NC2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=C21	REAL300020192610	1	41	-1.0	-44.63	333.37	3.07	-41.56
CC1(C)CCCC2(C1)NC(=O)N(CC(=O)N1CCC(C3=N[N-]N=N3)C1)C2=O	REAL300020192611	0	51	-1.0	-49.81	390.62	4.25	-45.56
CC1(C)CCCC2(C1)NC(=O)N(CC(=O)N1CCC(C3=NN=N[N-]3)C1)C2=O	REAL300020192611	1	51	-1.0	-49.83	390.69	4.26	-45.57
O=C(C1=C(F)C=CC(OC(F)F)=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020192612	0	34	-1.0	-46.69	311.40	3.60	-43.09
O=C(C1=C(F)C=CC(OC(F)F)=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020192612	1	34	-1.0	-46.69	311.47	3.61	-43.08
CC(C)OC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=N1	REAL300020192613	0	39	-1.0	-44.85	319.47	2.19	-42.66
CC(C)OC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=N1	REAL300020192613	1	39	-1.0	-44.84	319.40	2.18	-42.66
O=C(CSC1=NC2=CC=CC=C2N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192614	0	37	-1.0	-44.48	328.70	4.19	-40.29
O=C(CSC1=NC2=CC=CC=C2N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192614	1	37	-1.0	-44.49	328.77	4.20	-40.29
O=C(C1=CC([O-])=CC([N+](=O)[O-])=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192615	0	32	-2.0	-81.55	285.55	2.13	-79.42
O=C(C1=CC([O-])=CC([N+](=O)[O-])=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192615	1	32	-2.0	-81.53	285.62	2.14	-79.39
O=C(C1=CC(O)=CC([N+](=O)[O-])=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192615	1	33	-1.0	-41.92	289.11	1.37	-40.55
O=C(C1=CC(O)=CC([N+](=O)[O-])=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192615	1	33	-1.0	-41.97	289.18	1.39	-40.58
N#CC1=CN=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(Cl)=C1	REAL300020192616	0	30	-1.0	-42.33	283.07	3.66	-38.67
N#CC1=CN=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(Cl)=C1	REAL300020192616	1	30	-1.0	-42.31	282.99	3.66	-38.65
O=C(C1=C(C(F)F)N(CCO)N=C1C(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020192617	0	40	-1.0	-47.38	365.79	0.78	-46.60
O=C(C1=C(C(F)F)N(CCO)N=C1C(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020192617	1	40	-1.0	-47.39	365.87	0.78	-46.61
O=C(COC1=CC=C([N+](=O)[O-])C2=CC=CN=C12)N1CCC(C2=NN=N[N-]2)C1	REAL300020192618	0	41	-1.0	-54.03	355.71	5.70	-48.33
O=C(COC1=CC=C([N+](=O)[O-])C2=CC=CN=C12)N1CCC(C2=N[N-]N=N2)C1	REAL300020192618	1	41	-1.0	-53.99	355.64	5.69	-48.30
CC(C)CC1=NN=C([N-]C(=O)CCC(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020192619	0	46	-2.0	-89.01	397.04	2.95	-86.06
CC(C)CC1=NN=C([N-]C(=O)CCC(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020192619	1	46	-2.0	-89.05	397.12	2.96	-86.09
CC(C)CC1=NN=C(NC(=O)CCC(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020192619	1	47	-1.0	-49.93	399.03	3.94	-45.99
CNC(=O)C1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020192620	0	36	-1.0	-42.90	306.71	1.05	-41.85
CNC(=O)C1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020192620	1	36	-1.0	-42.88	306.63	1.04	-41.84
CC1=CC=C(CC(=O)N2CCC(C3=N[N-]N=N3)C2)C(Cl)=C1	REAL300020192621	0	36	-1.0	-44.68	316.37	5.86	-38.82
CC1=CC=C(CC(=O)N2CCC(C3=NN=N[N-]3)C2)C(Cl)=C1	REAL300020192621	1	36	-1.0	-44.67	316.45	5.87	-38.80
O=C(C1=CC(I)=CC=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020192622	0	30	-1.0	-42.83	287.59	4.87	-37.96
O=C(C1=CC(I)=CC=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020192622	1	30	-1.0	-42.83	287.67	4.88	-37.95
CCCN1N=C(C)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1C	REAL300020192623	0	42	-1.0	-43.36	347.67	4.45	-38.91
CCCN1N=C(C)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1C	REAL300020192623	1	42	-1.0	-43.30	347.74	4.46	-38.84
O=C(C1=CC=NC(Br)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192624	0	29	-1.0	-43.10	266.75	2.34	-40.76
O=C(C1=CC=NC(Br)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192624	1	29	-1.0	-43.09	266.68	2.33	-40.76
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(C2=C(Cl)C=CC=C2Cl)CC1	REAL300020192625	0	37	-1.0	-42.50	324.43	6.13	-36.37
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(C2=C(Cl)C=CC=C2Cl)CC1	REAL300020192625	1	37	-1.0	-42.50	324.51	6.13	-36.37
O=C(C1=CN(CC2=CC=CC(F)=C2)N=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192626	0	39	-1.0	-45.34	341.92	4.44	-40.90
O=C(C1=CN(CC2=CC=CC(F)=C2)N=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192626	1	39	-1.0	-45.27	341.85	4.44	-40.83
O=C(C1=CC=C(SC2=CC=C([N+](=O)[O-])C=C2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192627	0	43	-1.0	-46.34	378.71	8.31	-38.03
O=C(C1=CC=C(SC2=CC=C([N+](=O)[O-])C=C2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192627	1	43	-1.0	-46.38	378.78	8.32	-38.06
O=C(C1=CC=C(F)C=C1C(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020192628	0	33	-1.0	-43.19	294.53	4.75	-38.44
O=C(C1=CC=C(F)C=C1C(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020192628	1	33	-1.0	-43.17	294.60	4.75	-38.42
CC(=O)NC1=CC=C(Cl)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020192629	0	37	-1.0	-45.76	324.79	3.12	-42.64
CC(=O)NC1=CC=C(Cl)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020192629	1	37	-1.0	-45.77	324.86	3.13	-42.64
CC(=O)NC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(Cl)=C1	REAL300020192630	0	37	-1.0	-51.58	324.17	3.11	-48.47
CC(=O)NC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(Cl)=C1	REAL300020192630	1	37	-1.0	-51.60	324.24	3.11	-48.49
O=C(C1=C(F)C=C2NC(=O)CCC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192631	0	38	-1.0	-47.88	319.55	2.97	-44.91
O=C(C1=C(F)C=C2NC(=O)CCC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192631	1	38	-1.0	-47.86	319.63	2.98	-44.88
CC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(SC2=CC=CC=C2)=N1	REAL300020192632	0	43	-1.0	-46.91	370.71	6.85	-40.06
CC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(SC2=CC=CC=C2)=N1	REAL300020192632	1	43	-1.0	-46.95	370.79	6.86	-40.09
O=C(CCC1=NC(C2CCCC2)=NO1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192633	0	44	-1.0	-43.09	359.26	3.55	-39.54
O=C(CCC1=NC(C2CCCC2)=NO1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192633	1	44	-1.0	-43.07	359.34	3.55	-39.52
NC(=O)C[C@H](NC(=O)OCC1=CC=CC=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192634	0	48	-1.0	-50.09	399.51	1.99	-48.10
NC(=O)C[C@H](NC(=O)OCC1=CC=CC=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192634	1	48	-1.0	-50.06	399.58	2.00	-48.06
O=C(CSC1=CC=C(O)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192635	0	35	-1.0	-45.68	310.25	2.39	-43.29
O=C(CSC1=CC=C(O)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192635	1	35	-1.0	-45.71	310.33	2.40	-43.31
CC(C)C(=O)NC1=CC2=CC=CC=C2C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192636	0	49	-1.0	-44.11	392.85	6.60	-37.51
CC(C)C(=O)NC1=CC2=CC=CC=C2C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192636	1	49	-1.0	-44.11	392.93	6.61	-37.50
O=C(CC1=CC=C(F)C=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020192637	0	33	-1.0	-44.56	301.08	5.25	-39.31
O=C(CC1=CC=C(F)C=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020192637	1	33	-1.0	-44.59	301.15	5.27	-39.32
CCOCCS(=O)(=O)NCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192638	0	41	-1.0	-50.86	354.20	-1.83	-52.69
CCOCCS(=O)(=O)NCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192638	1	41	-1.0	-50.85	354.28	-1.82	-52.67
CC(C)(C)OC(=O)NC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)N=NS1	REAL300020192639	0	42	-1.0	-38.17	353.97	1.23	-36.94
CC(C)(C)OC(=O)NC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)N=NS1	REAL300020192639	1	42	-1.0	-38.25	354.04	1.25	-37.00
CCC1=NNC(=O)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1CC	REAL300020192640	0	41	-1.0	-51.90	336.38	2.29	-49.61
CCC1=NNC(=O)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1CC	REAL300020192640	1	41	-1.0	-51.96	336.45	2.30	-49.66
O=C(CC1=CC(F)=C(F)C=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020192641	0	33	-1.0	-44.32	298.87	4.92	-39.40
O=C(CC1=CC(F)=C(F)C=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020192641	1	33	-1.0	-44.36	298.94	4.92	-39.44
COC1=CC=CC(OC)=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192642	0	38	-1.0	-50.34	318.22	2.61	-47.73
COC1=CC=CC(OC)=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192642	1	38	-1.0	-50.40	318.30	2.62	-47.78
O=C(C1=NOC(C2=CC=C(F)C=C2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192643	0	36	-1.0	-40.45	318.24	5.29	-35.16
O=C(C1=NOC(C2=CC=C(F)C=C2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192643	1	36	-1.0	-40.39	318.17	5.29	-35.10
O=C(C1=CC=CC=C1COC1CCOCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192644	0	48	-1.0	-42.70	378.93	4.87	-37.83
O=C(C1=CC=CC=C1COC1CCOCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192644	1	48	-1.0	-42.67	379.01	4.88	-37.79
COC1=CC=C(OCC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1C	REAL300020192645	0	41	-1.0	-47.66	339.21	4.73	-42.93
COC1=CC=C(OCC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1C	REAL300020192645	1	41	-1.0	-47.66	339.28	4.73	-42.93
CCN1N=C(C(F)(F)F)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1C(F)F	REAL300020192646	0	39	-1.0	-48.21	354.38	4.13	-44.08
CCN1N=C(C(F)(F)F)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1C(F)F	REAL300020192646	1	39	-1.0	-48.20	354.46	4.14	-44.06
O=C(C1=CNN=C1C1=C(F)C=CC=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020192647	0	37	-1.0	-51.47	320.04	3.71	-47.76
O=C(C1=CNN=C1C1=C(F)C=CC=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020192647	1	37	-1.0	-51.54	320.12	3.72	-47.82
O=C(N1CCC(C2=N[N-]N=N2)C1)C(O)(C1=CC=CC=C1)C1=CC=CC=C1	REAL300020192648	0	44	-1.0	-43.20	354.45	5.31	-37.89
O=C(N1CCC(C2=NN=N[N-]2)C1)C(O)(C1=CC=CC=C1)C1=CC=CC=C1	REAL300020192648	1	44	-1.0	-43.18	354.53	5.31	-37.87
CC(O)(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=CC(C(F)(F)F)=C1	REAL300020192649	0	40	-1.0	-43.33	336.71	3.33	-40.00
CC(O)(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=CC(C(F)(F)F)=C1	REAL300020192649	1	40	-1.0	-43.33	336.78	3.35	-39.98
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(O)CCC[N@H+](CC2=CC=CC=C2)C1	REAL300020192650	0	50	0.0	-59.26	375.07	4.49	-54.77
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(O)CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300020192650	1	50	0.0	-62.59	380.57	4.75	-57.84
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(O)CCC[N@H+](CC2=CC=CC=C2)C1	REAL300020192650	1	50	0.0	-59.31	375.14	4.51	-54.80
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(O)CCC[N@@H+](CC2=CC=CC=C2)C1	REAL300020192650	1	50	0.0	-62.64	380.64	4.74	-57.90
CCC(OC1CCCCC1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192651	0	46	-1.0	-45.50	347.05	5.82	-39.68
CCC(OC1CCCCC1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192651	1	46	-1.0	-45.53	347.12	5.83	-39.70
O=C(C1=CC=CC(N2C=CC(C(F)(F)F)=N2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192652	0	40	-1.0	-48.38	349.88	5.76	-42.62
O=C(C1=CC=CC(N2C=CC(C(F)(F)F)=N2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192652	1	40	-1.0	-48.37	349.80	5.75	-42.62
O=C(CCCC1=CC=CC(Br)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192653	0	39	-1.0	-45.29	344.92	6.97	-38.32
O=C(CCCC1=CC=CC(Br)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192653	1	39	-1.0	-45.33	345.00	6.98	-38.35
NS(=O)(=O)C1=CC=C(NC(=O)C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020192654	0	39	-1.0	-44.80	344.72	-2.76	-47.56
NS(=O)(=O)C1=CC=C(NC(=O)C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020192654	1	39	-1.0	-44.74	344.79	-2.75	-47.49
CC(C)(C)OC(=O)N[C@H](C(=O)N1CCC(C2=N[N-]N=N2)C1)C(C)(C)C	REAL300020192655	0	52	-1.0	-40.21	386.48	3.51	-36.70
CC(C)(C)OC(=O)N[C@H](C(=O)N1CCC(C2=NN=N[N-]2)C1)C(C)(C)C	REAL300020192655	1	52	-1.0	-40.21	386.55	3.52	-36.69
CC(C)(C)OC(=O)N(CC(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020192656	0	50	-1.0	-50.34	405.97	7.16	-43.18
CC(C)(C)OC(=O)N(CC(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020192656	1	50	-1.0	-50.32	406.04	7.17	-43.15
CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192657	0	52	-1.0	-40.57	391.80	4.08	-36.49
CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192657	1	52	-1.0	-40.58	391.87	4.08	-36.50
CC(C)(C)OC(=O)N1CCC2=CC=CC=C2C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192658	0	54	-1.0	-44.86	415.18	7.03	-37.83
CC(C)(C)OC(=O)N1CCC2=CC=CC=C2C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192658	1	54	-1.0	-44.86	415.26	7.06	-37.80
CC(C)(C)OC(=O)N1CCCC(OCC(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020192659	0	54	-1.0	-48.24	420.26	5.47	-42.77
CC(C)(C)OC(=O)N1CCCC(OCC(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020192659	1	54	-1.0	-48.21	420.34	5.49	-42.72
O=C(CSC1=NC=CC2=CC=CC=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020192660	0	39	-1.0	-45.30	340.71	5.89	-39.41
O=C(CSC1=NC=CC2=CC=CC=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020192660	1	39	-1.0	-45.31	340.64	5.88	-39.43
CC1=CC=C(C2=NC(SCC(=O)N3CCC(C4=N[N-]N=N4)C3)=NN2)C=C1	REAL300020192661	0	43	-1.0	-47.13	378.71	5.96	-41.17
CC1=CC=C(C2=NC(SCC(=O)N3CCC(C4=NN=N[N-]4)C3)=NN2)C=C1	REAL300020192661	1	43	-1.0	-47.11	378.78	5.97	-41.14
CC(C)C1=NN=C([N-]C(=O)CCC(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020192662	0	43	-2.0	-89.09	378.12	2.18	-86.91
CC(C)C1=NN=C([N-]C(=O)CCC(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020192662	1	43	-2.0	-89.06	378.20	2.19	-86.87
CC(C)C1=NN=C(NC(=O)CCC(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020192662	1	44	-1.0	-49.92	381.42	3.30	-46.62
CC(C)C1=NN=C(C=CC(=O)N2CCC(C3=N[N-]N=N3)C2)O1	REAL300020192663	0	38	-1.0	-43.17	327.32	-0.29	-43.46
CC(C)C1=NN=C(C=CC(=O)N2CCC(C3=NN=N[N-]3)C2)O1	REAL300020192663	1	38	-1.0	-43.17	327.40	-0.27	-43.44
CC(C)(C)OC1=CC=CC(CCC(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020192664	0	48	-1.0	-42.83	380.20	5.76	-37.07
CC(C)(C)OC1=CC=CC(CCC(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020192664	1	48	-1.0	-42.80	380.27	5.76	-37.04
CC1=CC=C(N2C=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C(C(C)(C)C)=N2)C=C1	REAL300020192665	0	52	-1.0	-43.59	401.47	7.87	-35.72
CC1=CC=C(N2C=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C(C(C)(C)C)=N2)C=C1	REAL300020192665	1	52	-1.0	-43.59	401.40	7.85	-35.74
CC(C)(C)C1=NN(C2=CC=CC=C2)C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192666	0	49	-1.0	-43.96	380.01	7.19	-36.77
CC(C)(C)C1=NN(C2=CC=CC=C2)C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192666	1	49	-1.0	-43.91	379.93	7.17	-36.74
CC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C(Br)S1	REAL300020192667	0	30	-1.0	-43.43	280.67	4.08	-39.35
CC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C(Br)S1	REAL300020192667	1	30	-1.0	-43.42	280.74	4.08	-39.34
CSC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C(Cl)C=C1Cl	REAL300020192668	0	34	-1.0	-40.42	323.88	5.67	-34.75
CSC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C(Cl)C=C1Cl	REAL300020192668	1	34	-1.0	-40.42	323.95	5.67	-34.75
CC(OC1CCCCCC1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192669	0	46	-1.0	-45.58	344.02	5.70	-39.88
CC(OC1CCCCCC1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192669	1	46	-1.0	-45.53	344.09	5.71	-39.82
CC(=O)NC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC(C(F)(F)F)=C1	REAL300020192670	0	40	-1.0	-44.95	345.14	3.48	-41.47
CC(=O)NC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC(C(F)(F)F)=C1	REAL300020192670	1	40	-1.0	-44.92	345.22	3.49	-41.43
CC1=C(I)C=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192671	0	33	-1.0	-41.38	296.11	5.30	-36.08
CC1=C(I)C=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192671	1	33	-1.0	-41.39	296.18	5.31	-36.08
O=C(CCC1=NN=C(C2CCCC2)O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192672	0	44	-1.0	-44.61	359.61	1.14	-43.47
O=C(CCC1=NN=C(C2CCCC2)O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192672	1	44	-1.0	-44.61	359.69	1.15	-43.46
CC1=CC=C(OCCCC(=O)N2CCC(C3=N[N-]N=N3)C2)C(Cl)=C1	REAL300020192673	0	43	-1.0	-48.67	369.53	6.40	-42.27
CC1=CC=C(OCCCC(=O)N2CCC(C3=NN=N[N-]3)C2)C(Cl)=C1	REAL300020192673	1	43	-1.0	-48.66	369.60	6.40	-42.26
O=C(CCCC1=CC=CC=C1Br)N1CCC(C2=N[N-]N=N2)C1	REAL300020192674	0	39	-1.0	-45.35	339.82	6.78	-38.57
O=C(CCCC1=CC=CC=C1Br)N1CCC(C2=NN=N[N-]2)C1	REAL300020192674	1	39	-1.0	-45.34	339.90	6.80	-38.54
CC(CNC(=O)OC(C)(C)C)CC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192675	0	49	-1.0	-45.29	383.50	3.05	-42.24
CC(CNC(=O)OC(C)(C)C)CC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192675	1	49	-1.0	-45.29	383.57	3.07	-42.22
CC(CC(=O)N1CCC(C2=N[N-]N=N2)C1)C1CCN(C(=O)OC(C)(C)C)CC1	REAL300020192676	0	59	-1.0	-48.38	438.05	6.82	-41.56
CC(CC(=O)N1CCC(C2=NN=N[N-]2)C1)C1CCN(C(=O)OC(C)(C)C)CC1	REAL300020192676	1	59	-1.0	-48.42	438.13	6.82	-41.60
CC(NS(=O)(=O)C1=CC=CC(C#N)=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192677	0	42	-1.0	-51.72	370.97	1.24	-50.48
CC(NS(=O)(=O)C1=CC=CC(C#N)=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192677	1	42	-1.0	-51.73	371.04	1.24	-50.49
CC1=CC(C#N)=CC=C1OC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020192678	0	45	-1.0	-45.73	378.41	7.43	-38.30
CC1=CC(C#N)=CC=C1OC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020192678	1	45	-1.0	-45.78	378.48	7.44	-38.34
COC1=CC=CC(OC)=C1CC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192679	0	41	-1.0	-47.30	337.05	3.49	-43.81
COC1=CC=CC(OC)=C1CC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192679	1	41	-1.0	-47.30	337.12	3.50	-43.80
O=C(CC1=NN(C2=CC=CC=C2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192680	0	40	-1.0	-54.37	338.79	5.93	-48.44
O=C(CC1=NN(C2=CC=CC=C2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192680	1	40	-1.0	-54.35	338.87	5.94	-48.41
CC(C)(C)OC(=O)NC1(C(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020192681	0	44	-1.0	-44.69	348.14	3.12	-41.57
CC(C)(C)OC(=O)NC1(C(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020192681	1	44	-1.0	-44.69	348.21	3.13	-41.56
COC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(I)=C1	REAL300020192682	0	34	-1.0	-43.11	308.04	4.04	-39.07
COC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(I)=C1	REAL300020192682	1	34	-1.0	-43.07	308.11	4.04	-39.03
O=C(C1=CC=C(Cl)C=C1Br)N1CCC(C2=N[N-]N=N2)C1	REAL300020192683	0	30	-1.0	-41.04	289.32	4.83	-36.21
O=C(C1=CC=C(Cl)C=C1Br)N1CCC(C2=NN=N[N-]2)C1	REAL300020192683	1	30	-1.0	-41.04	289.39	4.84	-36.20
CC(C)(C)C1=CC=C(CC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020192684	0	45	-1.0	-44.21	356.94	7.09	-37.12
CC(C)(C)C1=CC=C(CC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020192684	1	45	-1.0	-44.23	357.01	7.10	-37.13
CC(C)OC1=CN=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020192685	0	39	-1.0	-41.15	315.34	2.70	-38.45
CC(C)OC1=CN=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020192685	1	39	-1.0	-41.12	315.27	2.69	-38.43
CC(C)(C)OC(=O)NCC(C)(C)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192686	0	49	-1.0	-47.65	369.86	2.61	-45.04
CC(C)(C)OC(=O)NCC(C)(C)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192686	1	49	-1.0	-47.64	369.94	2.62	-45.02
CC(C)(C)OC(=O)NCC1(C(=O)N2CCC(C3=N[N-]N=N3)C2)CCCC1	REAL300020192687	0	53	-1.0	-44.37	396.78	3.73	-40.64
CC(C)(C)OC(=O)NCC1(C(=O)N2CCC(C3=NN=N[N-]3)C2)CCCC1	REAL300020192687	1	53	-1.0	-44.36	396.86	3.73	-40.63
CC1=NN(C)C(C)=C1OCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192688	0	40	-1.0	-48.47	338.47	3.67	-44.80
CC1=NN(C)C(C)=C1OCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192688	1	40	-1.0	-48.49	338.54	3.68	-44.81
O=C(C1=CN2C(=NN=C2C(F)F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192689	0	35	-1.0	-43.33	316.22	5.19	-38.14
O=C(C1=CN2C(=NN=C2C(F)F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192689	1	35	-1.0	-43.35	316.29	5.19	-38.16
CS(=O)(=O)N1CCN(CC(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020192690	0	43	-1.0	-52.22	351.25	-1.35	-53.57
CS(=O)(=O)N1CCN(CC(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020192690	1	43	-1.0	-52.18	351.32	-1.35	-53.53
O=C(C1=CN(C2=CC=CN=C2)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192691	0	36	-1.0	-45.46	305.93	3.02	-42.44
O=C(C1=CN(C2=CC=CN=C2)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192691	1	36	-1.0	-45.43	305.86	3.01	-42.42
O=C(CC1=CC2=C(C=CC3=C2C=CC=C3)O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192692	0	42	-1.0	-51.08	355.23	7.59	-43.49
O=C(CC1=CC2=C(C=CC3=C2C=CC=C3)O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192692	1	42	-1.0	-51.15	355.31	7.60	-43.55
CC(C)(C)OC(=O)C1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020192693	0	45	-1.0	-43.67	359.71	6.27	-37.40
CC(C)(C)OC(=O)C1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020192693	1	45	-1.0	-43.72	359.79	6.28	-37.44
CC1CCCC(OCCCCCC(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020192694	0	55	-1.0	-44.84	421.41	7.57	-37.27
CC1CCCC(OCCCCCC(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020192694	1	55	-1.0	-44.85	421.48	7.58	-37.27
CC(C)(C)OC(=O)NCC(=O)NCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192695	0	47	-1.0	-44.04	384.08	-0.64	-44.68
CC(C)(C)OC(=O)NCC(=O)NCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192695	1	47	-1.0	-44.04	384.15	-0.63	-44.67
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=NN1C1CCOCC1	REAL300020192696	0	44	-1.0	-44.80	345.45	2.91	-41.89
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=NN1C1CCOCC1	REAL300020192696	1	44	-1.0	-44.84	345.52	2.92	-41.92
CN(C)CCS(=O)(=O)C1=CC=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192697	0	47	-1.0	-49.87	383.87	2.18	-47.69
CN(C)CCS(=O)(=O)C1=CC=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192697	1	47	-1.0	-49.84	383.95	2.20	-47.64
CC1=CN(C2=CC=CC=C2Cl)N=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192698	0	40	-1.0	-47.65	338.72	6.45	-41.20
CC1=CN(C2=CC=CC=C2Cl)N=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192698	1	40	-1.0	-47.63	338.65	6.45	-41.18
CCCN1N=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1C1CC1	REAL300020192699	0	43	-1.0	-43.47	342.06	4.96	-38.51
CCCN1N=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1C1CC1	REAL300020192699	1	43	-1.0	-43.49	342.13	4.96	-38.53
O=C(C(O)CCC1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192700	0	40	-1.0	-43.72	328.73	4.05	-39.67
O=C(C(O)CCC1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192700	1	40	-1.0	-43.76	328.80	4.06	-39.70
O=C([C@H](O)C1=CC=CC=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020192701	0	34	-1.0	-42.56	295.30	2.47	-40.09
O=C([C@H](O)C1=CC=CC=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020192701	1	34	-1.0	-42.52	295.36	2.49	-40.03
COC1=CC=CC(C(O)C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020192702	0	38	-1.0	-42.79	309.36	1.69	-41.10
COC1=CC=CC(C(O)C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020192702	1	38	-1.0	-42.79	309.43	1.70	-41.09
O=C(C1=CC=C([N+](=O)[O-])C(Cl)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192703	0	32	-1.0	-40.36	290.65	4.60	-35.76
O=C(C1=CC=C([N+](=O)[O-])C(Cl)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192703	1	32	-1.0	-40.37	290.72	4.62	-35.75
COC(=O)C1=CC=CC(CC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020192704	0	39	-1.0	-48.47	335.55	5.42	-43.05
COC(=O)C1=CC=CC(CC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020192704	1	39	-1.0	-48.43	335.63	5.43	-43.00
O=C(C1=C(Cl)C=CC=C1[N+](=O)[O-])N1CCC(C2=N[N-]N=N2)C1	REAL300020192705	0	32	-1.0	-53.94	300.41	5.26	-48.68
O=C(C1=C(Cl)C=CC=C1[N+](=O)[O-])N1CCC(C2=NN=N[N-]2)C1	REAL300020192705	1	32	-1.0	-53.94	300.48	5.26	-48.68
O=C(C1=CC=NC(OC2CCC2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192706	0	40	-1.0	-44.81	325.59	2.84	-41.97
O=C(C1=CC=NC(OC2CCC2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192706	1	40	-1.0	-44.80	325.51	2.83	-41.97
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=NN1CC(C)C	REAL300020192707	0	42	-1.0	-43.85	325.20	3.78	-40.07
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=NN1CC(C)C	REAL300020192707	1	42	-1.0	-43.87	325.27	3.79	-40.08
CC1=CC(C)=C([N+](=O)[O-])C(C)=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192708	0	41	-1.0	-44.17	347.33	6.54	-37.63
CC1=CC(C)=C([N+](=O)[O-])C(C)=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192708	1	41	-1.0	-44.19	347.40	6.55	-37.64
CC(C)(C)OC(=O)N1CCC(CCC(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020192709	0	56	-1.0	-48.64	425.61	6.42	-42.22
CC(C)(C)OC(=O)N1CCC(CCC(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020192709	1	56	-1.0	-48.64	425.68	6.43	-42.21
O=C(CN1C2=CC=CC=C2N=C1C1CCCCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192710	0	52	-1.0	-50.43	411.47	8.51	-41.92
O=C(CN1C2=CC=CC=C2N=C1C1CCCCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192710	1	52	-1.0	-50.43	411.55	8.53	-41.90
CSC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1F	REAL300020192711	0	34	-1.0	-41.22	294.98	4.58	-36.64
CSC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1F	REAL300020192711	1	34	-1.0	-41.21	295.05	4.60	-36.61
O=C(C1=CC([N+](=O)[O-])=CC=C1SCCO)N1CCC(C2=N[N-]N=N2)C1	REAL300020192712	0	40	-1.0	-44.50	352.73	2.88	-41.62
O=C(C1=CC([N+](=O)[O-])=CC=C1SCCO)N1CCC(C2=NN=N[N-]2)C1	REAL300020192712	1	40	-1.0	-44.44	352.80	2.88	-41.56
O=C(C(O)C1=CC(Cl)=CC(Cl)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192713	0	34	-1.0	-42.13	315.31	3.45	-38.68
O=C(C(O)C1=CC(Cl)=CC(Cl)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192713	1	34	-1.0	-42.16	315.38	3.46	-38.70
O=C(C1=CC=CC(Br)=C1[O-])N1CCC(C2=N[N-]N=N2)C1	REAL300020192714	0	30	-2.0	-95.91	281.02	3.31	-92.60
O=C(C1=CC=CC(Br)=C1[O-])N1CCC(C2=NN=N[N-]2)C1	REAL300020192714	1	30	-2.0	-95.94	281.09	3.32	-92.62
O=C(C1=CC(OCC2=CC=CC=C2)=CC=C1O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192715	0	45	-1.0	-47.12	375.42	5.01	-42.11
O=C(C1=CC(OCC2=CC=CC=C2)=CC=C1O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192715	1	45	-1.0	-47.07	375.50	5.01	-42.06
O=C(C1=CC(OC2=CC=CC=C2)=CC=C1O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192716	0	42	-1.0	-45.38	353.58	4.50	-40.88
O=C(C1=CC(OC2=CC=CC=C2)=CC=C1O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192716	1	42	-1.0	-45.40	353.65	4.51	-40.89
CC(C)(C)NC(=O)NC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(O)=C1	REAL300020192717	0	49	-1.0	-50.53	390.32	1.36	-49.17
CC(C)(C)NC(=O)NC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(O)=C1	REAL300020192717	1	49	-1.0	-50.53	390.39	1.37	-49.16
CC(C)(C)OC(=O)NC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(O)=C1	REAL300020192718	0	48	-1.0	-47.54	385.86	2.04	-45.50
CC(C)(C)OC(=O)NC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(O)=C1	REAL300020192718	1	48	-1.0	-47.53	385.94	2.05	-45.48
CC(C)(C)OC(=O)NC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C([O-])=C1	REAL300020192718	1	47	-2.0	-110.36	382.30	2.96	-107.40
O=C(C1=CC=C2N=S=NC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192719	0	31	-1.0	-41.92	278.40	2.04	-39.88
O=C(C1=CC=C2N=S=NC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192719	1	31	-1.0	-41.93	278.48	2.05	-39.88
NS(=O)(=O)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(F)=C1	REAL300020192720	0	35	-1.0	-49.60	313.97	-1.27	-50.87
NS(=O)(=O)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(F)=C1	REAL300020192720	1	35	-1.0	-49.63	314.04	-1.26	-50.89
O=C(C1=CN=C(C2=CC=CN=C2)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192721	0	35	-1.0	-43.07	312.16	2.89	-40.18
O=C(C1=CN=C(C2=CC=CN=C2)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192721	1	35	-1.0	-43.02	312.08	2.88	-40.14
O=C(COC1=CC=CC=C1Br)N1CCC(C2=N[N-]N=N2)C1	REAL300020192722	0	34	-1.0	-48.95	310.07	5.34	-43.61
O=C(COC1=CC=CC=C1Br)N1CCC(C2=NN=N[N-]2)C1	REAL300020192722	1	34	-1.0	-49.00	310.14	5.34	-43.66
CC1=CC=C(C(C)C(O)C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020192723	0	43	-1.0	-42.78	340.53	4.46	-38.32
CC1=CC=C(C(C)C(O)C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020192723	1	43	-1.0	-42.82	340.61	4.46	-38.36
O=C(C1=CC=CC(Br)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192724	0	29	-1.0	-42.03	271.19	3.25	-38.78
O=C(C1=CC=CC(Br)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192724	1	29	-1.0	-42.02	271.12	3.23	-38.79
O=C(C1=CC=CN=C1C(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020192725	0	32	-1.0	-47.58	283.20	2.99	-44.59
O=C(C1=CC=CN=C1C(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020192725	1	32	-1.0	-47.53	283.13	2.98	-44.55
O=C(C1=CC=CC([N+](=O)[O-])=C1[O-])N1CCC(C2=N[N-]N=N2)C1	REAL300020192726	0	32	-2.0	-101.29	286.59	4.16	-97.13
O=C(C1=CC=CC([N+](=O)[O-])=C1[O-])N1CCC(C2=NN=N[N-]2)C1	REAL300020192726	1	32	-2.0	-101.31	286.67	4.17	-97.14
O=C(C1=CC(C2=CC=CC=N2)=CC=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020192727	0	39	-1.0	-47.33	340.47	6.09	-41.24
O=C(C1=CC(C2=CC=CC=N2)=CC=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020192727	1	39	-1.0	-47.36	340.40	6.08	-41.28
CCOC1=CC(C=CC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1O	REAL300020192728	0	42	-1.0	-45.96	351.93	3.33	-42.63
CCOC1=CC(C=CC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1O	REAL300020192728	1	42	-1.0	-46.00	352.01	3.33	-42.67
CC(C)CN1N=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1C1CC1	REAL300020192729	0	46	-1.0	-43.53	360.41	5.72	-37.81
CC(C)CN1N=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1C1CC1	REAL300020192729	1	46	-1.0	-43.51	360.48	5.74	-37.77
O=C(C1=CSC(C2=NC=CC=C2F)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192730	0	35	-1.0	-46.34	319.13	3.36	-42.98
O=C(C1=CSC(C2=NC=CC=C2F)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192730	1	35	-1.0	-46.32	319.21	3.38	-42.94
CC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C(C)C=C1Br	REAL300020192731	0	36	-1.0	-40.72	311.79	5.52	-35.20
CC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C(C)C=C1Br	REAL300020192731	1	36	-1.0	-40.79	311.86	5.52	-35.27
COC1=CC(C=CC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1F	REAL300020192732	0	38	-1.0	-45.52	325.58	4.63	-40.89
COC1=CC(C=CC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1F	REAL300020192732	1	38	-1.0	-45.53	325.65	4.63	-40.90
O=C(C1=NN(C2=CC=CC=C2[N+](=O)[O-])C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192733	0	39	-1.0	-53.73	343.01	6.42	-47.31
O=C(C1=NN(C2=CC=CC=C2[N+](=O)[O-])C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192733	1	39	-1.0	-53.70	342.93	6.42	-47.28
CC(C)(C)OC(=O)N1CCC2(CC2C(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020192734	0	54	-1.0	-45.32	416.45	6.26	-39.06
CC(C)(C)OC(=O)N1CCC2(CC2C(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020192734	1	54	-1.0	-45.29	416.52	6.26	-39.03
O=C(CC(O)C1=CC=CC(F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192735	0	37	-1.0	-47.25	315.24	3.38	-43.87
O=C(CC(O)C1=CC=CC(F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192735	1	37	-1.0	-47.23	315.31	3.39	-43.84
COC(=O)C1=CN=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=N1	REAL300020192736	0	34	-1.0	-40.04	300.37	1.49	-38.55
COC(=O)C1=CN=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=N1	REAL300020192736	1	34	-1.0	-40.06	300.29	1.48	-38.58
O=C(C1=CC=CN2C(=O)NN=C12)N1CCC(C2=N[N-]N=N2)C1	REAL300020192737	0	33	-1.0	-49.25	292.45	2.31	-46.94
O=C(C1=CC=CN2C(=O)NN=C12)N1CCC(C2=NN=N[N-]2)C1	REAL300020192737	1	33	-1.0	-49.28	292.53	2.32	-46.96
CS(=O)(=O)C1=CC=C(OCC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020192738	0	40	-1.0	-54.40	350.33	2.20	-52.20
CS(=O)(=O)C1=CC=C(OCC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020192738	1	40	-1.0	-54.45	350.40	2.21	-52.24
O=C(C1=CN=C2SCC(=O)NC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192739	0	35	-1.0	-44.12	305.02	0.67	-43.45
O=C(C1=CN=C2SCC(=O)NC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192739	1	35	-1.0	-44.11	304.94	0.66	-43.45
CCCCCCCCCCC(C)(C)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192740	0	59	-1.0	-42.68	434.47	9.14	-33.54
CCCCCCCCCCC(C)(C)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192740	1	59	-1.0	-42.68	434.55	9.15	-33.53
CC(C)(C)OC(=O)NC1=CC=CC=C1CC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192741	0	50	-1.0	-46.16	398.71	5.18	-40.98
CC(C)(C)OC(=O)NC1=CC=CC=C1CC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192741	1	50	-1.0	-46.15	398.79	5.19	-40.96
O=C(C1=NC=CN2C(Br)=CN=C12)N1CCC(C2=NN=N[N-]2)C1	REAL300020192742	0	32	-1.0	-48.49	298.09	3.94	-44.55
O=C(C1=NC=CN2C(Br)=CN=C12)N1CCC(C2=N[N-]N=N2)C1	REAL300020192742	1	32	-1.0	-48.46	298.02	3.93	-44.53
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)SC(C(C)(C)C2=CC=CC=C2)=N1	REAL300020192743	0	48	-1.0	-42.90	387.84	7.06	-35.84
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)SC(C(C)(C)C2=CC=CC=C2)=N1	REAL300020192743	1	48	-1.0	-42.89	387.92	7.06	-35.83
CC(C)C(OC1=CC=CC(Cl)=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192744	0	43	-1.0	-37.46	351.58	6.64	-30.82
CC(C)C(OC1=CC=CC(Cl)=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192744	1	43	-1.0	-37.50	351.65	6.64	-30.86
CN1C=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(C2=CC=CS2)=N1	REAL300020192745	0	37	-1.0	-48.37	320.16	4.15	-44.22
CN1C=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(C2=CC=CS2)=N1	REAL300020192745	1	37	-1.0	-48.38	320.09	4.14	-44.24
O=C(C1=CC2=CC=C(C(F)(F)F)C=C2N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192746	0	37	-1.0	-40.87	323.28	5.09	-35.78
O=C(C1=CC2=CC=C(C(F)(F)F)C=C2N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192746	1	37	-1.0	-40.85	323.35	5.10	-35.75
CC(CC1=CC=C(Br)C=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192747	0	39	-1.0	-35.92	338.57	6.51	-29.41
CC(CC1=CC=C(Br)C=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192747	1	39	-1.0	-35.93	338.64	6.53	-29.40
O=C(C1=CC=CC=C1CCC(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020192748	0	39	-1.0	-44.88	331.31	6.16	-38.72
O=C(C1=CC=CC=C1CCC(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020192748	1	39	-1.0	-44.88	331.38	6.18	-38.70
CCC1=CC=C(S(C)(=O)=O)C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192749	0	42	-1.0	-51.45	352.50	2.53	-48.92
CCC1=CC=C(S(C)(=O)=O)C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192749	1	42	-1.0	-51.45	352.57	2.55	-48.90
CC1=CC(S(C)(=O)=O)=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1C	REAL300020192750	0	42	-1.0	-51.04	350.74	2.43	-48.61
CC1=CC(S(C)(=O)=O)=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1C	REAL300020192750	1	42	-1.0	-51.05	350.81	2.45	-48.60
CC1=C2OC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=CC2=CC(Br)=C1	REAL300020192751	0	36	-1.0	-39.41	326.98	5.75	-33.66
CC1=C2OC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=CC2=CC(Br)=C1	REAL300020192751	1	36	-1.0	-39.39	327.05	5.76	-33.63
CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192752	0	56	-1.0	-42.86	440.12	1.99	-40.87
CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192752	1	56	-1.0	-42.90	440.20	2.01	-40.89
COCCOC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=NC2=CC=CC=C21	REAL300020192753	0	46	-1.0	-44.53	380.29	4.48	-40.05
COCCOC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=NC2=CC=CC=C21	REAL300020192753	1	46	-1.0	-44.56	380.22	4.47	-40.09
O=C(CCN1C=CC2=CC(Cl)=CC=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020192754	0	40	-1.0	-42.12	351.74	7.28	-34.84
O=C(CCN1C=CC2=CC(Cl)=CC=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020192754	1	40	-1.0	-42.12	351.82	7.29	-34.83
CC(=CC1=CC=CC(Cl)=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192755	0	37	-1.0	-43.90	313.57	5.90	-38.00
CC(=CC1=CC=CC(Cl)=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192755	1	37	-1.0	-43.85	313.64	5.91	-37.94
O=C(C1=C(C(F)F)N=C(C2=CC=CC=C2)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192756	0	39	-1.0	-45.89	345.22	5.52	-40.37
O=C(C1=C(C(F)F)N=C(C2=CC=CC=C2)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192756	1	39	-1.0	-45.94	345.15	5.50	-40.44
O=C(C1=CC2=CC(F)=CC=C2OC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192757	0	36	-1.0	-41.14	312.46	4.46	-36.68
O=C(C1=CC2=CC(F)=CC=C2OC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192757	1	36	-1.0	-41.16	312.53	4.48	-36.68
O=C(C1COC2=CC=C(F)C=C2C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192758	0	38	-1.0	-41.20	317.56	4.52	-36.68
O=C(C1COC2=CC=C(F)C=C2C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192758	1	38	-1.0	-41.20	317.64	4.53	-36.67
CCC(=O)C1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1F	REAL300020192759	0	38	-1.0	-44.52	317.62	4.92	-39.60
CCC(=O)C1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1F	REAL300020192759	1	38	-1.0	-44.47	317.70	4.92	-39.55
CCC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=NC2=C1C(=O)N(C)C(=O)N2C	REAL300020192760	0	47	-1.0	-43.08	374.81	4.73	-38.35
CCC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=NC2=C1C(=O)N(C)C(=O)N2C	REAL300020192760	1	47	-1.0	-43.15	374.88	4.74	-38.41
CCC(C)(C)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020192761	0	45	-1.0	-43.09	340.25	6.36	-36.73
CCC(C)(C)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020192761	1	45	-1.0	-43.12	340.33	6.37	-36.75
O=C(C1=CC=C(Cl)C(Br)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192762	0	30	-1.0	-39.56	286.13	4.64	-34.92
O=C(C1=CC=C(Cl)C(Br)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192762	1	30	-1.0	-39.62	286.20	4.64	-34.98
O=C(C1=C2N=CC(Br)=CN2N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192763	0	32	-1.0	-49.30	295.61	3.17	-46.13
O=C(C1=C2N=CC(Br)=CN2N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192763	1	32	-1.0	-49.30	295.53	3.16	-46.14
O=C(C1=CSC(C2CCCO2)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192764	0	37	-1.0	-43.07	318.66	2.43	-40.64
O=C(C1=CSC(C2CCCO2)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192764	1	37	-1.0	-43.07	318.73	2.44	-40.63
CS(=O)(=O)C1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CS1	REAL300020192765	0	33	-1.0	-48.61	303.90	0.13	-48.48
CS(=O)(=O)C1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CS1	REAL300020192765	1	33	-1.0	-48.61	303.97	0.15	-48.46
CC1=C(Br)C=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1[N+](=O)[O-]	REAL300020192766	0	35	-1.0	-39.61	315.93	5.42	-34.19
CC1=C(Br)C=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1[N+](=O)[O-]	REAL300020192766	1	35	-1.0	-39.64	316.00	5.42	-34.22
O=C(CCCCC1=CC=C(Cl)C(Cl)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192767	0	42	-1.0	-44.18	377.04	8.10	-36.08
O=C(CCCCC1=CC=C(Cl)C(Cl)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192767	1	42	-1.0	-44.22	377.12	8.12	-36.10
O=C(C1=NC2=CC=CC=C2S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192768	0	32	-1.0	-46.07	284.87	3.18	-42.89
O=C(C1=NC2=CC=CC=C2S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192768	1	32	-1.0	-46.08	284.80	3.18	-42.90
CCOC1=CC=CC=C1C(F)(F)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192769	0	40	-1.0	-42.36	336.10	5.00	-37.36
CCOC1=CC=CC=C1C(F)(F)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192769	1	40	-1.0	-42.38	336.17	5.00	-37.38
CC(=O)C1=C(C)NC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1C(C)C	REAL300020192770	0	45	-1.0	-46.54	353.80	4.81	-41.73
CC(=O)C1=C(C)NC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1C(C)C	REAL300020192770	1	45	-1.0	-46.57	353.88	4.83	-41.74
CC1=CN(CC2=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=NO2)N=C1	REAL300020192771	0	39	-1.0	-46.86	338.04	3.98	-42.88
CC1=CN(CC2=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=NO2)N=C1	REAL300020192771	1	39	-1.0	-46.92	338.11	3.98	-42.94
CNS(=O)(=O)C1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CO1	REAL300020192772	0	35	-1.0	-49.67	312.49	-2.06	-51.73
CNS(=O)(=O)C1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CO1	REAL300020192772	1	35	-1.0	-49.66	312.56	-2.06	-51.72
O=C(C1=CC=C(CC2=NN=CN2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192773	0	39	-1.0	-54.99	326.84	5.42	-49.57
O=C(C1=CC=C(CC2=NN=CN2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192773	1	39	-1.0	-54.99	326.91	5.43	-49.56
O=C(C1CC(=O)N(C2=CC=C(Cl)C(F)=C2)C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192774	0	41	-1.0	-44.28	353.97	5.42	-38.86
O=C(C1CC(=O)N(C2=CC=C(Cl)C(F)=C2)C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192774	1	41	-1.0	-44.25	354.04	5.42	-38.83
O=C(C1=NN(CCO)C(=O)CC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192775	0	38	-1.0	-41.56	317.38	-1.05	-42.61
O=C(C1=NN(CCO)C(=O)CC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192775	1	38	-1.0	-41.60	317.46	-1.05	-42.65
COC(=O)C1CCC(C(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020192776	0	42	-1.0	-41.16	325.32	4.51	-36.65
COC(=O)C1CCC(C(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020192776	1	42	-1.0	-41.17	325.39	4.52	-36.65
COC(=O)C1=CN=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020192777	0	35	-1.0	-41.93	300.01	2.47	-39.46
COC(=O)C1=CN=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020192777	1	35	-1.0	-41.87	299.94	2.46	-39.41
CN(C)S(=O)(=O)CCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192778	0	37	-1.0	-46.84	318.64	-0.13	-46.97
CN(C)S(=O)(=O)CCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192778	1	37	-1.0	-46.82	318.72	-0.12	-46.94
O=C(CCC(=O)N1CCC(O)CC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192779	0	44	-1.0	-45.06	350.59	0.76	-44.30
O=C(CCC(=O)N1CCC(O)CC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192779	1	44	-1.0	-45.03	350.66	0.76	-44.27
O=C(CCC(=O)N1CCC(C2=N[N-]N=N2)C1)NC1=CC=C2NC(=O)NC2=N1	REAL300020192780	0	43	-1.0	-53.62	367.66	1.32	-52.30
O=C(CCC(=O)N1CCC(C2=NN=N[N-]2)C1)NC1=CC=C2NC(=O)NC2=N1	REAL300020192780	1	43	-1.0	-53.63	367.73	1.34	-52.29
O=C(C1=CC=C(N2C=NC3=CC=CC=C32)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192781	0	42	-1.0	-49.86	346.70	7.52	-42.34
O=C(C1=CC=C(N2C=NC3=CC=CC=C32)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192781	1	42	-1.0	-49.83	346.63	7.51	-42.32
NS(=O)(=O)C1=CC=CC2=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)N=CC=C12	REAL300020192782	0	40	-1.0	-46.26	340.17	-0.02	-46.28
NS(=O)(=O)C1=CC=CC2=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)N=CC=C12	REAL300020192782	1	40	-1.0	-46.29	340.09	-0.03	-46.32
O=C(C1=CC(I)=CC=C1O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192783	0	31	-1.0	-43.52	292.12	2.74	-40.78
O=C(C1=CC(I)=CC=C1O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192783	1	31	-1.0	-43.50	292.19	2.75	-40.75
O=C(C1=CC(I)=CC=C1[O-])N1CCC(C2=N[N-]N=N2)C1	REAL300020192783	1	30	-2.0	-94.22	288.37	3.74	-90.48
O=C(C1=CC(I)=CC=C1[O-])N1CCC(C2=NN=N[N-]2)C1	REAL300020192783	1	30	-2.0	-94.19	288.45	3.75	-90.44
O=C(C1=CC([N+](=O)[O-])=CC=C1[O-])N1CCC(C2=N[N-]N=N2)C1	REAL300020192784	0	32	-2.0	-86.27	288.76	3.32	-82.95
O=C(C1=CC([N+](=O)[O-])=CC=C1[O-])N1CCC(C2=NN=N[N-]2)C1	REAL300020192784	1	32	-2.0	-86.26	288.84	3.33	-82.93
O=C(C1=CC=C(Br)C=C1O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192785	0	31	-1.0	-41.61	285.43	2.39	-39.22
O=C(C1=CC=C(Br)C=C1O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192785	1	31	-1.0	-41.58	285.51	2.40	-39.18
O=C(C1=CC=C(Br)C=C1[O-])N1CCC(C2=N[N-]N=N2)C1	REAL300020192785	1	30	-2.0	-95.51	281.87	3.31	-92.20
O=C(C1=CC=C(Br)C=C1[O-])N1CCC(C2=NN=N[N-]2)C1	REAL300020192785	1	30	-2.0	-95.47	281.94	3.31	-92.16
O=C(C1=CC2=C(C=C1O)OCO2)N1CCC(C2=N[N-]N=N2)C1	REAL300020192786	0	34	-1.0	-42.67	290.22	0.40	-42.27
O=C(C1=CC2=C(C=C1O)OCO2)N1CCC(C2=NN=N[N-]2)C1	REAL300020192786	1	34	-1.0	-42.67	290.29	0.41	-42.26
O=C(C1=C([O-])C2=CC=CC=C2C(Cl)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192787	0	36	-2.0	-97.71	320.17	5.30	-92.41
O=C(C1=C([O-])C2=CC=CC=C2C(Cl)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192787	1	36	-2.0	-97.78	320.24	5.30	-92.48
O=C(C1=C(O)C2=CC=CC=C2C(Cl)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192787	1	37	-1.0	-42.74	323.71	4.40	-38.34
O=C(C1=C(O)C2=CC=CC=C2C(Cl)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192787	1	37	-1.0	-42.70	323.79	4.41	-38.29
CC(C)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(O)=C1	REAL300020192788	0	40	-1.0	-43.26	324.27	3.68	-39.58
CC(C)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(O)=C1	REAL300020192788	1	40	-1.0	-43.26	324.34	3.69	-39.57
CC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(Br)=N1	REAL300020192789	0	32	-1.0	-45.06	289.28	3.04	-42.02
CC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(Br)=N1	REAL300020192789	1	32	-1.0	-45.06	289.35	3.04	-42.02
CCCCS(=O)(=O)NCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192790	0	40	-1.0	-51.78	341.67	-0.30	-52.08
CCCCS(=O)(=O)NCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192790	1	40	-1.0	-51.78	341.75	-0.28	-52.06
O=C(C1=CC=C(N2C=CN=N2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192791	0	36	-1.0	-50.38	303.50	3.41	-46.97
O=C(C1=CC=C(N2C=CN=N2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192791	1	36	-1.0	-50.35	303.43	3.39	-46.96
COC(=O)C1=CC=CC=C1CCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192792	0	42	-1.0	-48.22	348.63	5.97	-42.25
COC(=O)C1=CC=CC=C1CCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192792	1	42	-1.0	-48.26	348.71	5.99	-42.27
CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192793	0	52	-1.0	-41.00	389.46	4.05	-36.95
CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192793	1	52	-1.0	-41.05	389.54	4.06	-36.99
CC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(Br)=C1	REAL300020192794	0	33	-1.0	-43.44	294.00	4.99	-38.45
CC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(Br)=C1	REAL300020192794	1	33	-1.0	-43.45	294.07	5.00	-38.45
CC1=C(C(=O)NC2=CC=C(O)C(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C2)C=NO1	REAL300020192795	0	44	-1.0	-47.02	372.96	2.01	-45.01
CC1=C(C(=O)NC2=CC=C(O)C(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C2)C=NO1	REAL300020192795	1	44	-1.0	-47.02	373.03	2.01	-45.01
CC(C)C1=CC=C(O)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020192796	0	40	-1.0	-43.31	324.31	3.65	-39.66
CC(C)C1=CC=C(O)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020192796	1	40	-1.0	-43.33	324.39	3.66	-39.67
O=C(C1=CC(CCC2=CC=CC=C2)=CC=C1O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192797	0	47	-1.0	-45.02	388.46	6.98	-38.04
O=C(C1=CC(CCC2=CC=CC=C2)=CC=C1O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192797	1	47	-1.0	-45.01	388.53	6.98	-38.03
O=C(C1=CC(CC2=CC=CC=C2)=CC=C1O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192798	0	44	-1.0	-45.07	367.12	6.08	-38.99
O=C(C1=CC(CC2=CC=CC=C2)=CC=C1O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192798	1	44	-1.0	-45.04	367.20	6.08	-38.96
O=C(C(C1=CC=CC=C1)N1CCC(O)CC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192799	0	49	-1.0	-46.13	381.48	2.33	-43.80
O=C(C(C1=CC=CC=C1)[NH+]1CCC(O)CC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192799	1	50	0.0	-59.14	381.47	4.25	-54.89
O=C(C(C1=CC=CC=C1)N1CCC(O)CC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192799	1	49	-1.0	-46.16	381.56	2.34	-43.82
COC1=CC(C)=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1O	REAL300020192800	0	38	-1.0	-45.66	314.81	2.29	-43.37
COC1=CC(C)=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1O	REAL300020192800	1	38	-1.0	-45.64	314.89	2.30	-43.34
CN1C=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(C(C)(C)C)=N1	REAL300020192801	0	42	-1.0	-44.84	324.15	3.79	-41.05
CN1C=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(C(C)(C)C)=N1	REAL300020192801	1	42	-1.0	-44.81	324.08	3.78	-41.03
O=C(C1=NN(C2=CC=C(Cl)C=C2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192802	0	37	-1.0	-44.51	331.27	5.89	-38.62
O=C(C1=NN(C2=CC=C(Cl)C=C2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192802	1	37	-1.0	-44.52	331.20	5.88	-38.64
O=C(C1=CC([N+](=O)[O-])=CC=C1NCC1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192803	0	47	-1.0	-44.68	395.31	7.25	-37.43
O=C(C1=CC([N+](=O)[O-])=CC=C1NCC1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192803	1	47	-1.0	-44.71	395.38	7.25	-37.46
O=C(C1=CC=CC=C1NCC1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192804	0	45	-1.0	-43.51	367.15	6.58	-36.93
O=C(C1=CC=CC=C1NCC1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192804	1	45	-1.0	-43.54	367.22	6.58	-36.96
O=C(C1=CC=CC(C2OCCO2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192805	0	39	-1.0	-45.15	321.28	3.35	-41.80
O=C(C1=CC=CC(C2OCCO2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192805	1	39	-1.0	-45.17	321.35	3.36	-41.81
CCOC(=O)C1=C2N=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)N2N=C1	REAL300020192806	0	41	-1.0	-49.95	360.88	4.38	-45.57
CCOC(=O)C1=C2N=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)N2N=C1	REAL300020192806	1	41	-1.0	-49.95	360.80	4.38	-45.57
NC(=O)C1=C2N=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)N2N=C1	REAL300020192807	0	36	-1.0	-52.86	319.40	-0.49	-53.35
NC(=O)C1=C2N=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)N2N=C1	REAL300020192807	1	36	-1.0	-52.84	319.33	-0.49	-53.33
NS(=O)(=O)C1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CO1	REAL300020192808	0	32	-1.0	-50.59	290.12	-3.29	-53.88
NS(=O)(=O)C1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CO1	REAL300020192808	1	32	-1.0	-50.57	290.19	-3.28	-53.85
O=C(C1=NN(C2=CC=CC=C2)C=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192809	0	36	-1.0	-49.23	309.48	6.11	-43.12
O=C(C1=NN(C2=CC=CC=C2)C=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192809	1	36	-1.0	-49.24	309.40	6.09	-43.15
CC(C)CN1N=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1C(F)F	REAL300020192810	0	42	-1.0	-41.01	341.61	4.43	-36.58
CC(C)CN1N=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1C(F)F	REAL300020192810	1	42	-1.0	-41.01	341.68	4.44	-36.57
O=C(CN(CC1=CC=CC=C1)C1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192811	0	48	-1.0	-45.46	388.27	8.71	-36.75
O=C(CN(CC1=CC=CC=C1)C1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192811	1	48	-1.0	-45.48	388.35	8.72	-36.76
COC(=O)C1=CC=CC=C1CC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192812	0	39	-1.0	-47.49	328.08	5.16	-42.33
COC(=O)C1=CC=CC=C1CC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192812	1	39	-1.0	-47.50	328.15	5.16	-42.34
CC(OC1=CC=CC(CO)=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192813	0	41	-1.0	-49.21	336.21	2.43	-46.78
CC(OC1=CC=CC(CO)=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192813	1	41	-1.0	-49.24	336.28	2.43	-46.81
NS(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020192814	0	35	-1.0	-49.06	330.11	-0.76	-49.82
NS(=O)(=O)C1=CC(Cl)=C(F)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020192814	1	35	-1.0	-49.05	330.19	-0.75	-49.80
CC1=CC=C(CC2=NC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=CS2)C=C1	REAL300020192815	0	42	-1.0	-44.00	364.68	6.60	-37.40
CC1=CC=C(CC2=NC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=CS2)C=C1	REAL300020192815	1	42	-1.0	-44.00	364.76	6.61	-37.39
CC1=CC=CC=C1C(F)(F)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192816	0	36	-1.0	-39.96	301.44	5.05	-34.91
CC1=CC=CC=C1C(F)(F)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192816	1	36	-1.0	-40.05	301.52	5.06	-34.99
CC(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=C(Br)C=C1	REAL300020192817	0	36	-1.0	-43.28	318.14	5.78	-37.50
CC(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=C(Br)C=C1	REAL300020192817	1	36	-1.0	-43.30	318.21	5.78	-37.52
CC(C)C1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=NN1C1=CC=CC=C1	REAL300020192818	0	46	-1.0	-44.87	370.57	6.88	-37.99
CC(C)C1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=NN1C1=CC=CC=C1	REAL300020192818	1	46	-1.0	-44.86	370.64	6.88	-37.98
CSCC1=NOC(CCC(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020192819	0	38	-1.0	-44.42	338.42	2.22	-42.20
CSCC1=NOC(CCC(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020192819	1	38	-1.0	-44.43	338.50	2.23	-42.20
O=C(C1=CC2=CC=C(Br)C=C2C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192820	0	36	-1.0	-43.32	317.42	6.39	-36.93
O=C(C1=CC2=CC=C(Br)C=C2C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192820	1	36	-1.0	-43.29	317.50	6.40	-36.89
O=C(CN1C=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=N1)NC1CCCC1	REAL300020192821	0	47	-1.0	-52.90	379.44	3.01	-49.89
O=C(CN1C=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=N1)NC1CCCC1	REAL300020192821	1	47	-1.0	-52.85	379.37	2.99	-49.86
O=C(C1=CC(C2=CC=C3OCCC3=C2)=NO1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192822	0	41	-1.0	-40.94	347.88	4.79	-36.15
O=C(C1=CC(C2=CC=C3OCCC3=C2)=NO1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192822	1	41	-1.0	-40.92	347.81	4.78	-36.14
CCCCC(NC(=O)OC(C)(C)C)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192823	0	52	-1.0	-36.75	400.92	3.64	-33.11
CCCCC(NC(=O)OC(C)(C)C)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192823	1	52	-1.0	-36.78	400.99	3.65	-33.13
CNC(=O)COC1=CC=CC(CC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020192824	0	44	-1.0	-56.09	370.75	3.61	-52.48
CNC(=O)COC1=CC=CC(CC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020192824	1	44	-1.0	-56.12	370.83	3.63	-52.49
CS(=O)(=O)C1=CC=C(F)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020192825	0	36	-1.0	-50.56	320.47	1.32	-49.24
CS(=O)(=O)C1=CC=C(F)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020192825	1	36	-1.0	-50.54	320.54	1.33	-49.21
CC1(CCCC(=O)N2CCC(C3=N[N-]N=N3)C2)NC(=O)NC1=O	REAL300020192826	0	41	-1.0	-51.14	336.29	-0.87	-52.01
CC1(CCCC(=O)N2CCC(C3=NN=N[N-]3)C2)NC(=O)NC1=O	REAL300020192826	1	41	-1.0	-51.12	336.37	-0.85	-51.97
CC(C)OC1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020192827	0	39	-1.0	-41.62	318.68	3.23	-38.39
CC(C)OC1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020192827	1	39	-1.0	-41.58	318.60	3.21	-38.37
COC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1C1=CC=CC=N1	REAL300020192828	0	43	-1.0	-47.54	348.59	5.22	-42.32
COC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1C1=CC=CC=N1	REAL300020192828	1	43	-1.0	-47.51	348.52	5.22	-42.29
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=CC=C1C1=CC=CC=N1	REAL300020192829	0	42	-1.0	-49.48	338.18	6.74	-42.74
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=CC=C1C1=CC=CC=N1	REAL300020192829	1	42	-1.0	-49.50	338.25	6.75	-42.75
COC1=CC=C2NC(C)=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C2=C1	REAL300020192830	0	41	-1.0	-49.37	342.82	3.85	-45.52
COC1=CC=C2NC(C)=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C2=C1	REAL300020192830	1	41	-1.0	-49.35	342.89	3.86	-45.49
CC1=NN(C)C(=O)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1C	REAL300020192831	0	38	-1.0	-50.18	316.06	2.28	-47.90
CC1=NN(C)C(=O)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1C	REAL300020192831	1	38	-1.0	-50.17	316.14	2.30	-47.87
O=C(C1=CC2=CC=CC=C2C(Cl)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192832	0	35	-1.0	-43.20	310.44	5.37	-37.83
O=C(C1=CC2=CC=CC=C2C(Cl)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192832	1	35	-1.0	-43.18	310.37	5.37	-37.81
CCCOC1=CC=C(CC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1OCCC	REAL300020192833	0	53	-1.0	-47.49	426.19	7.40	-40.09
CCCOC1=CC=C(CC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1OCCC	REAL300020192833	1	53	-1.0	-47.43	426.26	7.42	-40.01
CC(C)(C)OC(=O)N1CCSCC1CC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192834	0	51	-1.0	-45.61	396.18	5.79	-39.82
CC(C)(C)OC(=O)N1CCSCC1CC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192834	1	51	-1.0	-45.62	396.26	5.79	-39.83
CC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1NC(=O)OC(C)(C)C	REAL300020192835	0	50	-1.0	-44.97	389.31	4.70	-40.27
CC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1NC(=O)OC(C)(C)C	REAL300020192835	1	50	-1.0	-44.98	389.38	4.70	-40.28
CC(C)(C)OC(=O)NC(C)(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1CC1	REAL300020192836	0	50	-1.0	-48.38	374.97	4.22	-44.16
CC(C)(C)OC(=O)NC(C)(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1CC1	REAL300020192836	1	50	-1.0	-48.38	375.04	4.22	-44.16
O=C(CC1=CC(Br)=CC=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020192837	0	33	-1.0	-44.59	307.44	5.43	-39.16
O=C(CC1=CC(Br)=CC=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020192837	1	33	-1.0	-44.61	307.51	5.43	-39.18
O=C(CC1=CC(Cl)=CC=C1Br)N1CCC(C2=N[N-]N=N2)C1	REAL300020192838	0	33	-1.0	-43.09	315.17	5.77	-37.32
O=C(CC1=CC(Cl)=CC=C1Br)N1CCC(C2=NN=N[N-]2)C1	REAL300020192838	1	33	-1.0	-43.12	315.24	5.77	-37.35
O=C(CC1=CC=CC=C1I)N1CCC(C2=N[N-]N=N2)C1	REAL300020192839	0	33	-1.0	-42.99	304.57	5.70	-37.29
O=C(CC1=CC=CC=C1I)N1CCC(C2=NN=N[N-]2)C1	REAL300020192839	1	33	-1.0	-43.00	304.64	5.70	-37.30
O=C(CC1=CC(F)=CC=C1Br)N1CCC(C2=N[N-]N=N2)C1	REAL300020192840	0	33	-1.0	-43.40	304.84	5.32	-38.08
O=C(CC1=CC(F)=CC=C1Br)N1CCC(C2=NN=N[N-]2)C1	REAL300020192840	1	33	-1.0	-43.41	304.91	5.33	-38.08
CC(C)C1=NNC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1[N+](=O)[O-]	REAL300020192841	0	38	-1.0	-44.65	326.49	3.26	-41.39
CC(C)C1=NNC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1[N+](=O)[O-]	REAL300020192841	1	38	-1.0	-44.66	326.56	3.27	-41.39
CC(C)C1=C([N+](=O)[O-])C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=NN1	REAL300020192841	1	38	-1.0	-48.90	329.71	3.38	-45.52
CC(C)C1=C([N+](=O)[O-])C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=NN1	REAL300020192841	1	38	-1.0	-48.92	329.78	3.38	-45.54
COC1=CC=CC=C1C1(C)NC(=O)N(CC(=O)N2CCC(C3=N[N-]N=N3)C2)C1=O	REAL300020192842	0	49	-1.0	-51.48	401.10	4.66	-46.82
COC1=CC=CC=C1C1(C)NC(=O)N(CC(=O)N2CCC(C3=NN=N[N-]3)C2)C1=O	REAL300020192842	1	49	-1.0	-51.45	401.17	4.66	-46.79
O=C(CSC1=CC=CC(Br)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192843	0	34	-1.0	-44.95	320.55	5.87	-39.08
O=C(CSC1=CC=CC(Br)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192843	1	34	-1.0	-44.96	320.62	5.88	-39.08
CC(C)(C)OC(=O)NC(CC(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020192844	0	53	-1.0	-49.27	425.34	6.16	-43.11
CC(C)(C)OC(=O)NC(CC(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020192844	1	53	-1.0	-49.26	425.41	6.18	-43.08
CCC1(C(=O)N2CCC(C3=N[N-]N=N3)C2)CCN(C(=O)OC(C)(C)C)C1	REAL300020192845	0	53	-1.0	-49.91	395.56	4.61	-45.30
CCC1(C(=O)N2CCC(C3=NN=N[N-]3)C2)CCN(C(=O)OC(C)(C)C)C1	REAL300020192845	1	53	-1.0	-49.91	395.64	4.63	-45.28
O=C(C1CCCC2=C1C=CS2)N1CCC(C2=N[N-]N=N2)C1	REAL300020192846	0	37	-1.0	-44.04	309.44	5.32	-38.72
O=C(C1CCCC2=C1C=CS2)N1CCC(C2=NN=N[N-]2)C1	REAL300020192846	1	37	-1.0	-44.09	309.52	5.34	-38.75
CCC(C)(CNC(=O)OC(C)(C)C)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192847	0	52	-1.0	-48.35	385.85	3.01	-45.34
CCC(C)(CNC(=O)OC(C)(C)C)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192847	1	52	-1.0	-48.33	385.92	3.03	-45.30
CN(C)C(=O)NC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(Cl)=C1	REAL300020192848	0	42	-1.0	-52.06	355.94	3.96	-48.10
CN(C)C(=O)NC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(Cl)=C1	REAL300020192848	1	42	-1.0	-52.08	356.01	3.96	-48.12
COCCOC1=CC=CC(CC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020192849	0	44	-1.0	-49.37	365.72	4.26	-45.11
COCCOC1=CC=CC(CC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020192849	1	44	-1.0	-49.34	365.79	4.27	-45.07
CN(C)C1=CC=C(N=NC2=CC=CC=C2C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020192850	0	50	-1.0	-52.63	408.38	6.61	-46.02
CN(C)C1=CC=C(N=NC2=CC=CC=C2C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020192850	1	50	-1.0	-52.63	408.46	6.61	-46.02
CC(C)(C)OC(=O)NC(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020192851	0	50	-1.0	-42.41	400.80	4.67	-37.74
CC(C)(C)OC(=O)NC(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020192851	1	50	-1.0	-42.36	400.87	4.68	-37.68
CC1=CC=C(C(O)(CC(=O)N2CCC(C3=N[N-]N=N3)C2)C(F)(F)F)O1	REAL300020192852	0	40	-1.0	-41.59	345.95	3.27	-38.32
CC1=CC=C(C(O)(CC(=O)N2CCC(C3=NN=N[N-]3)C2)C(F)(F)F)O1	REAL300020192852	1	40	-1.0	-41.58	346.03	3.27	-38.31
CCCCN1N=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1C	REAL300020192853	0	42	-1.0	-43.71	336.14	4.31	-39.40
CCCCN1N=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1C	REAL300020192853	1	42	-1.0	-43.73	336.21	4.33	-39.40
O=C(C1=CC=C(Cl)C(C(F)(F)F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192854	0	33	-1.0	-39.56	301.86	4.98	-34.58
O=C(C1=CC=C(Cl)C(C(F)(F)F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192854	1	33	-1.0	-39.57	301.94	5.00	-34.57
CC(C)(C)C1=CC=C(C(C)(C)C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020192855	0	51	-1.0	-43.59	377.38	8.08	-35.51
CC(C)(C)C1=CC=C(C(C)(C)C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020192855	1	51	-1.0	-43.62	377.45	8.09	-35.53
CC1=C(CC(=O)N2CCC(C3=N[N-]N=N3)C2)C=CC=C1[N+](=O)[O-]	REAL300020192856	0	38	-1.0	-48.43	322.91	5.89	-42.54
CC1=C(CC(=O)N2CCC(C3=NN=N[N-]3)C2)C=CC=C1[N+](=O)[O-]	REAL300020192856	1	38	-1.0	-48.42	322.98	5.89	-42.53
CC1=NC2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2C=C1	REAL300020192857	0	38	-1.0	-46.33	312.77	4.51	-41.82
CC1=NC2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2C=C1	REAL300020192857	1	38	-1.0	-46.39	312.84	4.53	-41.86
CC(C)COC1=CC=CC(OCC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020192858	0	47	-1.0	-49.24	382.59	6.40	-42.84
CC(C)COC1=CC=CC(OCC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020192858	1	47	-1.0	-49.29	382.66	6.41	-42.88
O=C(CCCNC(=O)C1=CC=CN=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192859	0	42	-1.0	-48.26	353.76	2.26	-46.00
O=C(CCCNC(=O)C1=CC=CN=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192859	1	42	-1.0	-48.32	353.69	2.26	-46.06
O=C(C1=CC([N+](=O)[O-])=CC(C(F)(F)F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192860	0	35	-1.0	-41.12	317.28	5.23	-35.89
O=C(C1=CC([N+](=O)[O-])=CC(C(F)(F)F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192860	1	35	-1.0	-41.16	317.35	5.24	-35.92
O=C(C1=CC(Cl)=CC(Br)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192861	0	30	-1.0	-39.88	288.07	4.68	-35.20
O=C(C1=CC(Cl)=CC(Br)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192861	1	30	-1.0	-39.88	288.15	4.70	-35.18
O=C(C1=CC2=C(C3=CC=C(F)C=C3)ON=C2C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192862	0	42	-1.0	-42.41	363.95	7.22	-35.19
O=C(C1=CC2=C(C3=CC=C(F)C=C3)ON=C2C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192862	1	42	-1.0	-42.44	363.88	7.21	-35.23
CC1=C(CCCC(=O)N2CCC(C3=N[N-]N=N3)C2)SC=C1	REAL300020192863	0	39	-1.0	-44.99	332.41	6.00	-38.99
CC1=C(CCCC(=O)N2CCC(C3=NN=N[N-]3)C2)SC=C1	REAL300020192863	1	39	-1.0	-45.02	332.48	6.02	-39.00
CC(C)(C)OC(=O)NC1=CC=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192864	0	47	-1.0	-44.74	372.25	4.27	-40.47
CC(C)(C)OC(=O)NC1=CC=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192864	1	47	-1.0	-44.77	372.33	4.28	-40.49
CC(C)(C)OC(=O)N1CCCC1(C)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192865	0	50	-1.0	-48.40	372.68	5.20	-43.20
CC(C)(C)OC(=O)N1CCCC1(C)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192865	1	50	-1.0	-48.43	372.75	5.20	-43.23
O=C(C1CCC[N@@H+]1C1CCCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192866	0	46	0.0	-60.83	331.60	6.10	-54.73
O=C(C1CCC[N@H+]1C1CCCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192866	1	46	0.0	-59.30	340.96	5.82	-53.48
C=CC(=O)N1CCC(C(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020192867	0	41	-1.0	-49.10	328.28	3.49	-45.61
C=CC(=O)N1CCC(C(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020192867	1	41	-1.0	-49.07	328.36	3.50	-45.57
CC1(C)CCC2=C(C=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C(=O)N2)C1	REAL300020192868	0	46	-1.0	-54.92	362.94	4.14	-50.78
CC1(C)CCC2=C(C=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C(=O)N2)C1	REAL300020192868	1	46	-1.0	-54.93	363.02	4.15	-50.78
O=C(CC1=CC=CC(OC(F)(F)F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192869	0	37	-1.0	-44.94	326.73	4.56	-40.38
O=C(CC1=CC=CC(OC(F)(F)F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192869	1	37	-1.0	-44.97	326.81	4.57	-40.40
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(OCC2=CC=CC=C2)CCOCC1	REAL300020192870	0	48	-1.0	-41.80	368.77	4.68	-37.12
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(OCC2=CC=CC=C2)CCOCC1	REAL300020192870	1	48	-1.0	-41.81	368.84	4.69	-37.12
CC(C)C(C(=O)N1CCC(C2=N[N-]N=N2)C1)N1CCCS1(=O)=O	REAL300020192871	0	44	-1.0	-48.12	348.95	1.34	-46.78
CC(C)C(C(=O)N1CCC(C2=NN=N[N-]2)C1)N1CCCS1(=O)=O	REAL300020192871	1	44	-1.0	-48.15	349.02	1.35	-46.80
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=NC2=C1C(=O)N(C)C(=O)N2C	REAL300020192872	0	44	-1.0	-43.45	354.78	3.97	-39.48
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=NC2=C1C(=O)N(C)C(=O)N2C	REAL300020192872	1	44	-1.0	-43.44	354.85	3.97	-39.47
CC(CSCC1=CC=CC=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192873	0	43	-1.0	-41.86	364.60	7.35	-34.51
CC(CSCC1=CC=CC=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192873	1	43	-1.0	-41.89	364.67	7.36	-34.53
O=C(CN1C=CC(=O)C([N+](=O)[O-])=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192874	0	35	-1.0	-65.95	312.91	5.26	-60.69
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CC1=CC=CC=C1SC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020192875	0	44	-1.0	-43.03	367.45	8.13	-34.90
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CC(C)(C)C1CCC(CC(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020192919	0	51	-1.0	-42.72	369.34	7.03	-35.69
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CC1=CC=C(F)C(OCC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020192920	0	37	-1.0	-50.75	317.27	5.41	-45.34
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NC(=O)C1=CN=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(Cl)=C1	REAL300020192926	1	33	-1.0	-46.66	296.84	0.03	-46.63
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)NC2=CC=C(C)C=C21	REAL300020192927	0	40	-1.0	-42.22	323.32	5.46	-36.76
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)NC2=CC=C(C)C=C21	REAL300020192927	1	40	-1.0	-42.26	323.40	5.47	-36.79
COC1=CC=C(C2=NNC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C2)C=C1	REAL300020192928	0	41	-1.0	-42.42	341.59	3.39	-39.03
COC1=CC=C(C2=NNC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C2)C=C1	REAL300020192928	1	41	-1.0	-42.44	341.66	3.39	-39.05
O=C(CC1=CNC2=CC(Br)=CC=C12)N1CCC(C2=N[N-]N=N2)C1	REAL300020192929	0	37	-1.0	-46.84	333.90	5.44	-41.40
O=C(CC1=CNC2=CC(Br)=CC=C12)N1CCC(C2=NN=N[N-]2)C1	REAL300020192929	1	37	-1.0	-46.86	333.97	5.44	-41.42
O=C(C1=NOC(CN2C=C(Br)C=N2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192930	0	36	-1.0	-46.62	337.85	3.91	-42.71
O=C(C1=NOC(CN2C=C(Br)C=N2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192930	1	36	-1.0	-46.64	337.93	3.92	-42.72
O=C(CC1=CSC2=CC=C(Cl)C=C12)N1CCC(C2=N[N-]N=N2)C1	REAL300020192931	0	36	-1.0	-45.08	333.86	6.65	-38.43
O=C(CC1=CSC2=CC=C(Cl)C=C12)N1CCC(C2=NN=N[N-]2)C1	REAL300020192931	1	36	-1.0	-45.07	333.93	6.65	-38.42
CC(C)(C)OC(=O)N1CCC(C)(C(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020192932	0	53	-1.0	-46.08	386.44	4.79	-41.29
CC(C)(C)OC(=O)N1CCC(C)(C(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020192932	1	53	-1.0	-46.05	386.52	4.79	-41.26
CC(C)(C)OC(=O)N1CCCC(C)(C(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020192933	0	53	-1.0	-53.22	388.15	5.28	-47.94
CC(C)(C)OC(=O)N1CCCC(C)(C(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020192933	1	53	-1.0	-53.21	388.23	5.30	-47.91
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(SC2=CC=CC=C2)CC1	REAL300020192934	0	38	-1.0	-43.01	325.25	6.32	-36.69
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(SC2=CC=CC=C2)CC1	REAL300020192934	1	38	-1.0	-43.02	325.32	6.35	-36.67
CC1=NN(C2=CN=CC3=NN=NN32)C(C)=C1CC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192935	0	46	-1.0	-52.67	393.79	4.05	-48.62
CC1=NN(C2=CN=CC3=NN=NN32)C(C)=C1CC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192935	1	46	-1.0	-52.66	393.71	4.05	-48.61
CC(C(=O)N1CCC(C2=N[N-]N=N2)C1)S(=O)(=O)C1CCOCC1	REAL300020192936	0	43	-1.0	-60.10	346.96	0.25	-59.85
CC(C(=O)N1CCC(C2=NN=N[N-]2)C1)S(=O)(=O)C1CCOCC1	REAL300020192936	1	43	-1.0	-60.08	347.03	0.27	-59.81
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=NN1CCC(C)C	REAL300020192937	0	45	-1.0	-43.52	353.70	4.81	-38.71
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=NN1CCC(C)C	REAL300020192937	1	45	-1.0	-43.53	353.78	4.83	-38.70
O=C(C1=CC(F)=C(F)C=C1Br)N1CCC(C2=N[N-]N=N2)C1	REAL300020192938	0	30	-1.0	-38.94	285.31	4.45	-34.49
O=C(C1=CC(F)=C(F)C=C1Br)N1CCC(C2=NN=N[N-]2)C1	REAL300020192938	1	30	-1.0	-38.98	285.38	4.45	-34.53
O=C(CCC1=CC=C(F)C=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020192939	0	36	-1.0	-43.07	314.01	5.67	-37.40
O=C(CCC1=CC=C(F)C=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020192939	1	36	-1.0	-43.10	314.08	5.69	-37.41
CC1=CC=C(C(C)C)C(OCCC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020192940	0	49	-1.0	-43.30	390.61	7.10	-36.20
CC1=CC=C(C(C)C)C(OCCC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020192940	1	49	-1.0	-43.29	390.68	7.10	-36.19
CC(C)C1=CC=CC=C1OCCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192941	0	46	-1.0	-43.11	369.20	6.43	-36.68
CC(C)C1=CC=CC=C1OCCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192941	1	46	-1.0	-43.11	369.27	6.43	-36.68
CN1N=C2CCCCC2=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192942	0	40	-1.0	-41.12	324.66	4.09	-37.03
CN1N=C2CCCCC2=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192942	1	40	-1.0	-41.11	324.73	4.10	-37.01
O=C(C1=CSC(C2=CC=NC=C2)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192943	0	35	-1.0	-43.61	315.24	3.47	-40.14
O=C(C1=CSC(C2=CC=NC=C2)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192943	1	35	-1.0	-43.64	315.31	3.48	-40.16
CCC(CC)(CNC(=O)OC(C)(C)C)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192944	0	55	-1.0	-48.65	401.89	3.47	-45.18
CCC(CC)(CNC(=O)OC(C)(C)C)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192944	1	55	-1.0	-48.58	401.96	3.48	-45.10
CN(C)C(=O)NC1=CC=C(Cl)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020192945	0	42	-1.0	-45.45	357.93	4.00	-41.45
CN(C)C(=O)NC1=CC=C(Cl)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020192945	1	42	-1.0	-45.48	358.00	4.00	-41.48
CC(C)(C)OC(=O)NC1=CN=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=N1	REAL300020192946	0	45	-1.0	-47.45	367.67	2.59	-44.86
CC(C)(C)OC(=O)NC1=CN=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=N1	REAL300020192946	1	45	-1.0	-47.40	367.75	2.59	-44.81
CC(C)(C)OC(=O)N1CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020192947	0	44	-1.0	-54.05	354.43	3.41	-50.64
CC(C)(C)OC(=O)N1CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020192947	1	44	-1.0	-54.04	354.50	3.42	-50.62
O=C(C1=CC=CC=C1N1C=CN=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192948	0	36	-1.0	-58.18	304.47	3.78	-54.40
O=C(C1=CC=CC=C1N1C=CN=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192948	1	36	-1.0	-58.19	304.39	3.76	-54.43
COC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1OC1CCCC1	REAL300020192949	0	48	-1.0	-45.72	374.69	5.70	-40.02
COC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1OC1CCCC1	REAL300020192949	1	48	-1.0	-45.77	374.76	5.71	-40.06
O=C(CC1=NC(C2=CC=C(F)C=C2)=CS1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192950	0	39	-1.0	-47.13	350.31	5.58	-41.55
O=C(CC1=NC(C2=CC=C(F)C=C2)=CS1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192950	1	39	-1.0	-47.11	350.23	5.56	-41.55
COC1=CC2=NNN=C2C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192951	0	36	-1.0	-44.80	302.41	1.14	-43.66
COC1=CC2=NNN=C2C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192951	1	36	-1.0	-44.80	302.48	1.15	-43.65
O=C(CSC1=CC=C(Cl)C=C1[N+](=O)[O-])N1CCC(C2=N[N-]N=N2)C1	REAL300020192952	0	36	-1.0	-51.09	339.58	6.28	-44.81
O=C(CSC1=CC=C(Cl)C=C1[N+](=O)[O-])N1CCC(C2=NN=N[N-]2)C1	REAL300020192952	1	36	-1.0	-51.14	339.65	6.30	-44.84
O=C(CC1=CC=C2CC(=O)NC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192953	0	38	-1.0	-47.93	322.70	3.21	-44.72
O=C(CC1=CC=C2CC(=O)NC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192953	1	38	-1.0	-47.91	322.77	3.23	-44.68
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)SC(NC(=O)OC(C)(C)C)=N1	REAL300020192954	0	46	-1.0	-45.57	378.52	3.28	-42.29
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)SC(NC(=O)OC(C)(C)C)=N1	REAL300020192954	1	46	-1.0	-45.59	378.59	3.29	-42.30
CC1=NOC(C2=CC=CC=C2)=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192955	0	39	-1.0	-41.64	332.95	5.64	-36.00
CC1=NOC(C2=CC=CC=C2)=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192955	1	39	-1.0	-41.63	332.88	5.64	-35.99
O=C(C(C1=C(F)C=CC=C1Cl)N1CCCCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192956	0	48	-1.0	-44.15	379.01	6.36	-37.79
O=C(C(C1=C(F)C=CC=C1Cl)N1CCCCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192956	1	48	-1.0	-44.16	379.09	6.36	-37.80
O=C(C1CCN2C(=CN=C2C2=CC=CC=C2)C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192957	0	47	-1.0	-46.46	375.21	7.31	-39.15
O=C(C1CCN2C(=CN=C2C2=CC=CC=C2)C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192957	1	47	-1.0	-46.49	375.28	7.33	-39.16
CCCC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=NN1C1=CC=CC=C1	REAL300020192958	0	46	-1.0	-44.82	369.21	6.69	-38.13
CCCC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=NN1C1=CC=CC=C1	REAL300020192958	1	46	-1.0	-44.83	369.28	6.70	-38.13
O=C(C1=CN=C(OCC2CC2)C(Cl)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192959	0	40	-1.0	-39.88	346.60	3.38	-36.50
O=C(C1=CN=C(OCC2CC2)C(Cl)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192959	1	40	-1.0	-39.90	346.53	3.37	-36.53
O=C(C1=CSC(CC2=CC=CC(F)=C2)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192960	0	39	-1.0	-46.72	349.69	5.98	-40.74
O=C(C1=CSC(CC2=CC=CC(F)=C2)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192960	1	39	-1.0	-46.74	349.76	6.00	-40.74
CC1=CC=C(C(F)(F)C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020192961	0	36	-1.0	-39.66	308.31	5.35	-34.31
CC1=CC=C(C(F)(F)C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020192961	1	36	-1.0	-39.69	308.38	5.36	-34.33
CC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=NN1C1=CC=CC(C#N)=C1	REAL300020192962	0	41	-1.0	-49.95	355.56	6.19	-43.76
CC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=NN1C1=CC=CC(C#N)=C1	REAL300020192962	1	41	-1.0	-49.96	355.63	6.20	-43.76
CC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(Cl)=C1C	REAL300020192963	0	36	-1.0	-44.29	304.79	5.36	-38.93
CC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(Cl)=C1C	REAL300020192963	1	36	-1.0	-44.31	304.86	5.36	-38.95
O=C(C1=CC2=NSN=C2C([N+](=O)[O-])=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192964	0	33	-1.0	-44.74	305.62	2.80	-41.94
O=C(C1=CC2=NSN=C2C([N+](=O)[O-])=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192964	1	33	-1.0	-44.80	305.55	2.79	-42.01
CC1=CC(F)=CC=C1N1C=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020192965	0	40	-1.0	-43.61	341.90	6.38	-37.23
CC1=CC(F)=CC=C1N1C=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020192965	1	40	-1.0	-43.64	341.83	6.36	-37.28
CCCSC1=CC=C([N+](=O)[O-])C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192966	0	42	-1.0	-44.64	362.80	7.00	-37.64
CCCSC1=CC=C([N+](=O)[O-])C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192966	1	42	-1.0	-44.61	362.88	7.01	-37.60
O=C(C1=CC=C(Br)C=C1OC(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020192967	0	34	-1.0	-43.63	313.67	4.73	-38.90
O=C(C1=CC=C(Br)C=C1OC(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020192967	1	34	-1.0	-43.63	313.74	4.73	-38.90
O=C(C1=CNN=C1C1=CC=C2OCOC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192968	0	40	-1.0	-48.08	331.93	2.34	-45.74
O=C(C1=CNN=C1C1=CC=C2OCOC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192968	1	40	-1.0	-48.11	332.00	2.34	-45.77
CCC1=NC2=CC=CC=C2N1CC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192969	0	42	-1.0	-50.91	347.06	6.12	-44.79
CCC1=NC2=CC=CC=C2N1CC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192969	1	42	-1.0	-50.96	347.14	6.14	-44.82
O=C(CC(=O)N1CCC(C2=N[N-]N=N2)C1)NCC(F)(F)F	REAL300020192970	0	33	-1.0	-52.38	297.62	2.13	-50.25
O=C(CC(=O)N1CCC(C2=NN=N[N-]2)C1)NCC(F)(F)F	REAL300020192970	1	33	-1.0	-52.38	297.69	2.15	-50.23
O=C(C1=CC=C(C2=CC=CS2)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192971	0	34	-1.0	-41.87	313.49	5.63	-36.24
O=C(C1=CC=C(C2=CC=CS2)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192971	1	34	-1.0	-41.91	313.56	5.63	-36.28
O=C(C1=CC=C(SC2CC2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192972	0	38	-1.0	-43.19	321.18	6.19	-37.00
O=C(C1=CC=C(SC2CC2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192972	1	38	-1.0	-43.26	321.26	6.20	-37.06
O=C(CCC1=CC(F)=CC=C1Br)N1CCC(C2=N[N-]N=N2)C1	REAL300020192973	0	36	-1.0	-42.43	325.75	6.11	-36.32
O=C(CCC1=CC(F)=CC=C1Br)N1CCC(C2=NN=N[N-]2)C1	REAL300020192973	1	36	-1.0	-42.43	325.82	6.13	-36.30
O=C(C1=CC2=NNN=C2C=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020192974	0	32	-1.0	-43.90	280.01	1.03	-42.87
O=C(C1=CC2=NNN=C2C=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020192974	1	32	-1.0	-43.93	280.09	1.03	-42.90
CC1(C(=O)N2CCC(C3=N[N-]N=N3)C2)CC[NH+](CC2=CC=CC=C2)CC1	REAL300020192975	0	52	0.0	-60.14	379.46	7.53	-52.61
CC1(C(=O)N2CCC(C3=NN=N[N-]3)C2)CC[NH+](CC2=CC=CC=C2)CC1	REAL300020192975	1	52	0.0	-60.16	379.54	7.54	-52.62
CCCC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=NN1C1CCCC1	REAL300020192976	0	49	-1.0	-43.96	378.90	6.28	-37.68
CCCC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=NN1C1CCCC1	REAL300020192976	1	49	-1.0	-43.99	378.98	6.29	-37.70
CC(C)COC1=NC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020192977	0	42	-1.0	-39.78	356.52	3.28	-36.50
CC(C)COC1=NC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1Cl	REAL300020192977	1	42	-1.0	-39.78	356.45	3.28	-36.50
O=C(C1=NC=CN=C1SC1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192978	0	39	-1.0	-46.33	342.90	5.21	-41.12
O=C(C1=NC=CN=C1SC1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192978	1	39	-1.0	-46.32	342.82	5.20	-41.12
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)N=C(C2=CC=CC(C(F)(F)F)=C2)O1	REAL300020192979	0	42	-1.0	-41.23	369.85	4.93	-36.30
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)N=C(C2=CC=CC(C(F)(F)F)=C2)O1	REAL300020192979	1	42	-1.0	-41.26	369.78	4.93	-36.33
O=C(C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192980	0	37	-2.0	-75.20	340.13	0.95	-74.25
O=C(C1=CC=CC([N-]S(=O)(=O)C(F)(F)F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192980	1	37	-2.0	-75.19	340.20	0.96	-74.23
CC1=CC(N2CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)CC2=O)=CC=C1F	REAL300020192981	0	44	-1.0	-45.24	358.73	5.56	-39.68
CC1=CC(N2CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)CC2=O)=CC=C1F	REAL300020192981	1	44	-1.0	-45.24	358.81	5.58	-39.66
CCC(CC)N1N=C(C)C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192982	0	45	-1.0	-41.67	352.85	5.09	-36.58
CCC(CC)N1N=C(C)C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192982	1	45	-1.0	-41.67	352.92	5.09	-36.58
CC1=CC(Br)=CC(Cl)=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192983	0	33	-1.0	-41.32	316.38	5.48	-35.84
CC1=CC(Br)=CC(Cl)=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192983	1	33	-1.0	-41.29	316.45	5.50	-35.79
CC(CCCC1=CC=CC=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192984	0	45	-1.0	-43.34	361.66	7.49	-35.85
CC(CCCC1=CC=CC=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192984	1	45	-1.0	-43.32	361.73	7.50	-35.82
O=C(C1=CC(OC(F)F)=CC(OC(F)F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192985	0	38	-1.0	-46.28	328.50	2.71	-43.57
O=C(C1=CC(OC(F)F)=CC(OC(F)F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192985	1	38	-1.0	-46.37	328.57	2.73	-43.64
O=C(C1CCC2=C(Cl)C=CC=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020192986	0	37	-1.0	-44.27	319.46	6.20	-38.07
O=C(C1CCC2=C(Cl)C=CC=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020192986	1	37	-1.0	-44.25	319.53	6.21	-38.04
O=C(CC1=CSC(NC(=O)C2=CC=CC(O)=C2)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192987	0	44	-1.0	-52.70	387.25	2.16	-50.54
O=C(CC1=CSC(NC(=O)C2=CC=CC(O)=C2)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192987	1	44	-1.0	-52.71	387.33	2.17	-50.54
COC1=CC=C(S(N)(=O)=O)C(OC)=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192988	0	43	-1.0	-52.57	368.05	-1.79	-54.36
COC1=CC=C(S(N)(=O)=O)C(OC)=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192988	1	43	-1.0	-52.57	368.12	-1.78	-54.35
CS(=O)(=O)C1=CC=CC(Cl)=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192989	0	36	-1.0	-46.93	323.41	2.29	-44.64
CS(=O)(=O)C1=CC=CC(Cl)=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192989	1	36	-1.0	-46.92	323.49	2.29	-44.63
CN(C)C1=C2C=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)N(C)C2=NC=N1	REAL300020192990	0	43	-1.0	-43.45	342.05	4.49	-38.96
CN(C)C1=C2C=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)N(C)C2=NC=N1	REAL300020192990	1	43	-1.0	-43.43	342.13	4.50	-38.93
O=C(CCC1=CC=C2NC=CC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192991	0	40	-1.0	-45.62	333.50	5.61	-40.01
O=C(CCC1=CC=C2NC=CC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192991	1	40	-1.0	-45.64	333.58	5.63	-40.01
CCC(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=C(OC)C=C1	REAL300020192992	0	43	-1.0	-44.74	346.19	5.13	-39.61
CCC(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=C(OC)C=C1	REAL300020192992	1	43	-1.0	-44.78	346.26	5.14	-39.64
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(C2=CC=C(F)C=C2F)CCC1	REAL300020192993	0	40	-1.0	-47.67	325.55	5.98	-41.69
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(C2=CC=C(F)C=C2F)CCC1	REAL300020192993	1	40	-1.0	-47.64	325.62	5.98	-41.66
CC(CC(=O)N1CCC(C2=N[N-]N=N2)C1)C(=O)C1=CC=C(Cl)C=C1	REAL300020192994	0	41	-1.0	-41.30	354.54	6.41	-34.89
CC(CC(=O)N1CCC(C2=NN=N[N-]2)C1)C(=O)C1=CC=C(Cl)C=C1	REAL300020192994	1	41	-1.0	-41.26	354.62	6.42	-34.84
O=C(CCCC1=CC2=CC=CC=C2C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020192995	0	45	-1.0	-46.93	369.75	8.61	-38.32
O=C(CCCC1=CC2=CC=CC=C2C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020192995	1	45	-1.0	-46.96	369.82	8.62	-38.34
CC(C)C(NS(C)(=O)=O)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192996	0	40	-1.0	-45.15	331.02	-0.77	-45.92
CC(C)C(NS(C)(=O)=O)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192996	1	40	-1.0	-45.13	331.09	-0.77	-45.90
CC(C)C1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC(=O)N1	REAL300020192997	0	39	-1.0	-45.80	325.92	2.86	-42.94
CC(C)C1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC(=O)N1	REAL300020192997	1	39	-1.0	-45.79	325.99	2.86	-42.93
CC(C)(C)OCC1=CC=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020192998	0	46	-1.0	-42.70	360.10	5.72	-36.98
CC(C)(C)OCC1=CC=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020192998	1	46	-1.0	-42.68	360.17	5.72	-36.96
CCC(C)N1N=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1C	REAL300020192999	0	42	-1.0	-45.17	338.45	4.66	-40.51
CCC(C)N1N=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1C	REAL300020192999	1	42	-1.0	-45.16	338.52	4.67	-40.49
CC1=C(C)N2C(=NC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C2=O)S1	REAL300020193000	0	38	-1.0	-54.54	333.57	4.31	-50.23
CC1=C(C)N2C(=NC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C2=O)S1	REAL300020193000	1	38	-1.0	-54.53	333.49	4.29	-50.24
COC1=CC=C(SC)C(OC)=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193001	0	42	-1.0	-49.08	360.36	3.72	-45.36
COC1=CC=C(SC)C(OC)=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193001	1	42	-1.0	-49.06	360.43	3.74	-45.32
CC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=NN1C1=CC=C(Cl)C=C1	REAL300020193002	0	40	-1.0	-43.93	351.49	6.33	-37.60
CC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=NN1C1=CC=C(Cl)C=C1	REAL300020193002	1	40	-1.0	-43.94	351.56	6.34	-37.60
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)SC(C2=CC=C(F)C(F)=C2)=N1	REAL300020193003	0	39	-1.0	-42.73	346.93	5.40	-37.33
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)SC(C2=CC=C(F)C(F)=C2)=N1	REAL300020193003	1	39	-1.0	-42.70	346.86	5.39	-37.31
O=C(C1=CC=C(C2=CN=CC=N2)C=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193004	0	37	-1.0	-45.15	316.29	2.74	-42.41
O=C(C1=CC=C(C2=CN=CC=N2)C=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193004	1	37	-1.0	-45.10	316.36	2.75	-42.35
CCCCSC1=CC=C([N+](=O)[O-])C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193005	0	45	-1.0	-44.68	384.30	7.78	-36.90
CCCCSC1=CC=C([N+](=O)[O-])C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193005	1	45	-1.0	-44.71	384.37	7.79	-36.92
O=C(OCC1=CC=CC=C1)N1CCC(F)(C(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020193006	0	48	-1.0	-42.54	397.71	5.84	-36.70
O=C(OCC1=CC=CC=C1)N1CCC(F)(C(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020193006	1	48	-1.0	-42.54	397.78	5.86	-36.68
O=C(C1=CN=C2OCC(=O)NC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193007	0	35	-1.0	-44.92	295.63	-2.27	-47.19
O=C(C1=CN=C2OCC(=O)NC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193007	1	35	-1.0	-44.87	295.56	-2.27	-47.14
N#CC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1Cl	REAL300020193008	0	31	-1.0	-41.60	286.26	4.38	-37.22
N#CC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1Cl	REAL300020193008	1	31	-1.0	-41.67	286.33	4.38	-37.29
O=C(CC(O)C1=CC(Cl)=CC(Cl)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193009	0	37	-1.0	-44.93	342.50	4.30	-40.63
O=C(CC(O)C1=CC(Cl)=CC(Cl)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193009	1	37	-1.0	-44.96	342.57	4.31	-40.65
O=C(CC(O)C1=CC=C(Cl)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193010	0	37	-1.0	-45.80	325.74	3.82	-41.98
O=C(CC(O)C1=CC=C(Cl)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193010	1	37	-1.0	-45.85	325.81	3.82	-42.03
CN1N=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1C1=CC=CC=C1	REAL300020193011	0	40	-1.0	-45.59	325.56	4.70	-40.89
CN1N=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1C1=CC=CC=C1	REAL300020193011	1	40	-1.0	-45.53	325.49	4.69	-40.84
O=C(C1=CC([N+](=O)[O-])=CC=C1OC(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020193012	0	36	-1.0	-43.77	320.56	4.77	-39.00
O=C(C1=CC([N+](=O)[O-])=CC=C1OC(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020193012	1	36	-1.0	-43.76	320.63	4.77	-38.99
CC(C)(C)SC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=N1	REAL300020193013	0	42	-1.0	-44.21	341.26	5.93	-38.28
CC(C)(C)SC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=N1	REAL300020193013	1	42	-1.0	-44.19	341.19	5.92	-38.27
O=C(C1=CC=C(C(F)(F)F)C=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020193014	0	33	-1.0	-41.34	307.12	5.21	-36.13
O=C(C1=CC=C(C(F)(F)F)C=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020193014	1	33	-1.0	-41.36	307.19	5.21	-36.15
CC1=NN(CC(F)(F)F)C(C)=C1C(C)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193015	0	45	-1.0	-46.60	366.26	4.82	-41.78
CC1=NN(CC(F)(F)F)C(C)=C1C(C)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193015	1	45	-1.0	-46.58	366.33	4.83	-41.75
CCC1(C(=O)N2CCC(C3=N[N-]N=N3)C2)CCCN1C(=O)OC(C)(C)C	REAL300020193016	0	53	-1.0	-50.48	389.56	6.62	-43.86
CCC1(C(=O)N2CCC(C3=NN=N[N-]3)C2)CCCN1C(=O)OC(C)(C)C	REAL300020193016	1	53	-1.0	-50.54	389.63	6.63	-43.91
O=C(C1=CC=CC(OC2=CC=C(Cl)C=C2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193017	0	41	-1.0	-42.21	355.55	6.91	-35.30
O=C(C1=CC=CC(OC2=CC=C(Cl)C=C2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193017	1	41	-1.0	-42.21	355.62	6.93	-35.28
O=C(C1=COC(C2=CC=CC=C2Cl)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193018	0	36	-1.0	-43.73	321.66	4.10	-39.63
O=C(C1=COC(C2=CC=CC=C2Cl)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193018	1	36	-1.0	-43.76	321.58	4.09	-39.67
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)SC2=NC(C)=NC(N)=C12	REAL300020193019	0	39	-1.0	-42.38	324.70	2.70	-39.68
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)SC2=NC(C)=NC(N)=C12	REAL300020193019	1	39	-1.0	-42.38	324.77	2.71	-39.67
O=C(C1=CC=CC=C1OC(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020193020	0	34	-1.0	-45.65	299.15	4.33	-41.32
O=C(C1=CC=CC=C1OC(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020193020	1	34	-1.0	-45.66	299.23	4.34	-41.32
CN(C)S(=O)(=O)C1=CN(C)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020193021	0	42	-1.0	-47.62	352.79	1.06	-46.56
CN(C)S(=O)(=O)C1=CN(C)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020193021	1	42	-1.0	-47.66	352.86	1.06	-46.60
CN(C)C(=O)COC1=CC=CC=C1C(F)(F)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193022	0	47	-1.0	-53.84	392.51	5.55	-48.29
CN(C)C(=O)COC1=CC=CC=C1C(F)(F)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193022	1	47	-1.0	-53.88	392.58	5.56	-48.32
O=C(C1CC(=O)N(C2=C(F)C=CC=C2F)C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193023	0	41	-1.0	-49.69	351.46	5.36	-44.33
O=C(C1CC(=O)N(C2=C(F)C=CC=C2F)C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193023	1	41	-1.0	-49.70	351.53	5.36	-44.34
O=C(N1CCC(C2=N[N-]N=N2)C1)C(F)(F)C1=CC=C([N+](=O)[O-])C=C1	REAL300020193024	0	35	-1.0	-39.41	315.12	5.35	-34.06
O=C(N1CCC(C2=NN=N[N-]2)C1)C(F)(F)C1=CC=C([N+](=O)[O-])C=C1	REAL300020193024	1	35	-1.0	-39.42	315.19	5.35	-34.07
CSC1=CC=CC=C1CC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193025	0	37	-1.0	-44.94	318.19	5.68	-39.26
CSC1=CC=CC=C1CC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193025	1	37	-1.0	-44.96	318.26	5.68	-39.28
COCCOC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=N1	REAL300020193026	0	40	-1.0	-46.89	332.96	0.54	-46.35
COCCOC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=N1	REAL300020193026	1	40	-1.0	-46.90	332.89	0.52	-46.38
CC(=O)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(F)=C1	REAL300020193027	0	35	-1.0	-45.81	301.03	4.19	-41.62
CC(=O)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(F)=C1	REAL300020193027	1	35	-1.0	-45.80	301.10	4.20	-41.60
O=C(C1=CC=CC([N+](=O)[O-])=C1N1CCOCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193028	0	45	-1.0	-46.14	357.74	5.00	-41.14
O=C(C1=CC=CC([N+](=O)[O-])=C1N1CCOCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193028	1	45	-1.0	-46.11	357.81	5.00	-41.11
COC1=CC(C(=O)CCC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC(OC)=C1OC	REAL300020193029	0	50	-1.0	-45.32	414.11	4.54	-40.78
COC1=CC(C(=O)CCC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC(OC)=C1OC	REAL300020193029	1	50	-1.0	-45.30	414.18	4.55	-40.75
COCC1=NN=C(C2=CC=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C2)O1	REAL300020193030	0	42	-1.0	-47.64	356.61	-0.73	-48.37
COCC1=NN=C(C2=CC=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C2)O1	REAL300020193030	1	42	-1.0	-47.63	356.69	-0.72	-48.35
CC1=CSC2=NC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C(=O)N12	REAL300020193031	0	35	-1.0	-55.15	312.59	3.56	-51.59
CC1=CSC2=NC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C(=O)N12	REAL300020193031	1	35	-1.0	-55.17	312.51	3.55	-51.62
O=C(C1=NN(C2=CC=C(Cl)C=C2Cl)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193032	0	37	-1.0	-45.31	348.62	6.60	-38.71
O=C(C1=NN(C2=CC=C(Cl)C=C2Cl)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193032	1	37	-1.0	-45.31	348.54	6.59	-38.72
CC(CC(=O)N1CCC(C2=N[N-]N=N2)C1)CC1=CC=C(Cl)C=C1	REAL300020193033	0	42	-1.0	-44.79	353.01	7.27	-37.52
CC(CC(=O)N1CCC(C2=NN=N[N-]2)C1)CC1=CC=C(Cl)C=C1	REAL300020193033	1	42	-1.0	-44.83	353.09	7.28	-37.55
CC1=CC=C(S(=O)(=O)NC(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(C)O)C=C1	REAL300020193034	0	48	-1.0	-55.70	404.18	-0.82	-56.52
CC1=CC=C(S(=O)(=O)NC(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(C)O)C=C1	REAL300020193034	1	48	-1.0	-55.70	404.25	-0.80	-56.50
O=C(C(O)C(O)C1=NC2=CC=CC=C2S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193035	0	40	-1.0	-45.61	346.11	-0.26	-45.87
O=C(C(O)C(O)C1=NC2=CC=CC=C2S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193035	1	40	-1.0	-45.63	346.19	-0.25	-45.88
O=C(C=CC1=CC=C(O)C(O)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193036	0	36	-1.0	-46.29	311.61	0.34	-45.95
O=C(C=CC1=CC=C(O)C(O)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193036	1	36	-1.0	-46.34	311.69	0.34	-46.00
O=C(C1=CC=CC(C2=NN=CO2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193037	0	35	-1.0	-53.50	300.79	-0.53	-54.03
O=C(C1=CC=CC(C2=NN=CO2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193037	1	35	-1.0	-53.47	300.86	-0.53	-54.00
CC(O)C(NC(=O)C1CCCC1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193038	0	47	-1.0	-43.07	365.52	0.51	-42.56
CC(O)C(NC(=O)C1CCCC1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193038	1	47	-1.0	-43.05	365.60	0.52	-42.53
CC(O)C(NC(=O)C1CC1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193039	0	41	-1.0	-40.25	327.36	-0.62	-40.87
CC(O)C(NC(=O)C1CC1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193039	1	41	-1.0	-40.26	327.43	-0.61	-40.87
CC1=NC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C(C2=CC=CC=C2)S1	REAL300020193040	0	39	-1.0	-44.18	338.68	5.96	-38.22
CC1=NC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C(C2=CC=CC=C2)S1	REAL300020193040	1	39	-1.0	-44.22	338.75	5.96	-38.26
COC1=C(C)C=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1C	REAL300020193041	0	40	-1.0	-43.34	321.17	4.38	-38.96
COC1=C(C)C=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1C	REAL300020193041	1	40	-1.0	-43.35	321.24	4.38	-38.97
O=C(C1=CC=C(C(F)(F)F)C=C1O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193042	0	34	-1.0	-41.63	303.16	2.77	-38.86
O=C(C1=CC=C(C(F)(F)F)C=C1O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193042	1	34	-1.0	-41.66	303.23	2.77	-38.89
O=C(C1=CC=C(C(F)(F)F)C=C1[O-])N1CCC(C2=N[N-]N=N2)C1	REAL300020193042	1	33	-2.0	-93.96	299.27	3.68	-90.28
O=C(C1=CC=C(C(F)(F)F)C=C1[O-])N1CCC(C2=NN=N[N-]2)C1	REAL300020193042	1	33	-2.0	-93.93	299.34	3.68	-90.25
CC(C)C1=CC=CC(C2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)O2)=C1	REAL300020193043	0	46	-1.0	-42.00	377.00	7.72	-34.28
CC(C)C1=CC=CC(C2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)O2)=C1	REAL300020193043	1	46	-1.0	-41.97	377.08	7.73	-34.24
O=C(C1=CC=C(F)C(Cl)=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020193044	0	30	-1.0	-44.06	281.81	4.33	-39.73
O=C(C1=CC=C(F)C(Cl)=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020193044	1	30	-1.0	-44.11	281.88	4.34	-39.77
O=C(C1=CN=CN=C1C1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193045	0	38	-1.0	-43.11	319.86	5.10	-38.01
O=C(C1=CN=CN=C1C1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193045	1	38	-1.0	-43.14	319.79	5.09	-38.05
O=C(C1=C(Br)N=CS1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193046	0	26	-1.0	-43.58	255.46	1.41	-42.17
O=C(C1=C(Br)N=CS1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193046	1	26	-1.0	-43.58	255.39	1.40	-42.18
CC(C(=O)N1CCC(C2=NN=N[N-]2)C1)N1N=NN=C1C(C)(C)C	REAL300020193047	0	43	-1.0	-52.99	340.70	2.85	-50.14
CC(C(=O)N1CCC(C2=N[N-]N=N2)C1)N1N=NN=C1C(C)(C)C	REAL300020193047	1	43	-1.0	-53.01	340.62	2.85	-50.16
O=C(C1=CSC(NC2CC2)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193048	0	35	-1.0	-41.95	308.65	3.18	-38.77
O=C(C1=CSC(NC2CC2)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193048	1	35	-1.0	-41.97	308.58	3.16	-38.81
CC(C)OC1=CC=C(S(C)(=O)=O)C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193049	0	46	-1.0	-52.33	383.03	2.90	-49.43
CC(C)OC1=CC=C(S(C)(=O)=O)C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193049	1	46	-1.0	-52.33	383.10	2.90	-49.43
CC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=NN1C1=CC=C(Cl)C(Cl)=C1	REAL300020193050	0	40	-1.0	-42.76	366.62	6.77	-35.99
CC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=NN1C1=CC=C(Cl)C(Cl)=C1	REAL300020193050	1	40	-1.0	-42.72	366.69	6.79	-35.93
CC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=NN1C1=CC=C(F)C=C1	REAL300020193051	0	40	-1.0	-44.25	341.17	5.87	-38.38
CC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=NN1C1=CC=C(F)C=C1	REAL300020193051	1	40	-1.0	-44.23	341.24	5.89	-38.34
CC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=NN1C1=CC=C(C)C=C1	REAL300020193052	0	43	-1.0	-45.04	356.10	6.49	-38.55
CC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=NN1C1=CC=C(C)C=C1	REAL300020193052	1	43	-1.0	-45.04	356.17	6.49	-38.55
CC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=NN1C1=CC=CC(Cl)=C1	REAL300020193053	0	40	-1.0	-45.89	351.45	6.31	-39.58
CC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=NN1C1=CC=CC(Cl)=C1	REAL300020193053	1	40	-1.0	-45.87	351.52	6.32	-39.55
CC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=NN1C1=CC(C)=CC(C)=C1	REAL300020193054	0	46	-1.0	-44.91	377.53	7.12	-37.79
CC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=NN1C1=CC(C)=CC(C)=C1	REAL300020193054	1	46	-1.0	-44.90	377.60	7.13	-37.77
NC1=CC=CC([N+](=O)[O-])=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193055	0	34	-1.0	-51.48	297.98	2.73	-48.75
NC1=CC=CC([N+](=O)[O-])=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193055	1	34	-1.0	-51.48	298.06	2.74	-48.74
CCOC1=CC=CC=C1C1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020193056	0	47	-1.0	-44.35	380.08	7.55	-36.80
CCOC1=CC=CC=C1C1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020193056	1	47	-1.0	-44.43	380.16	7.56	-36.87
O=C(C1=CC=NC(OC2CCCCC2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193057	0	46	-1.0	-44.63	361.09	4.11	-40.52
O=C(C1=CC=NC(OC2CCCCC2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193057	1	46	-1.0	-44.58	361.02	4.11	-40.47
O=C(C1=CC=C(SC2=CC=C(Cl)C=C2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193058	0	41	-1.0	-42.55	367.23	8.16	-34.39
O=C(C1=CC=C(SC2=CC=C(Cl)C=C2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193058	1	41	-1.0	-42.60	367.31	8.17	-34.43
CC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=NN1C(C)C1CC1	REAL300020193059	0	43	-1.0	-45.26	351.73	5.56	-39.70
CC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=NN1C(C)C1CC1	REAL300020193059	1	43	-1.0	-45.31	351.80	5.58	-39.73
CC1=CC=C(SC2CCCC2)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020193060	0	47	-1.0	-46.18	375.73	8.03	-38.15
CC1=CC=C(SC2CCCC2)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020193060	1	47	-1.0	-46.17	375.81	8.03	-38.14
CC(C)(C)OC(=O)NC1=CC=CC(CC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020193061	0	50	-1.0	-50.77	402.81	5.01	-45.76
CC(C)(C)OC(=O)NC1=CC=CC(CC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020193061	1	50	-1.0	-50.81	402.89	5.02	-45.79
O=C(C1=NC=CC=C1C(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020193062	0	32	-1.0	-47.19	280.05	3.78	-43.41
O=C(C1=NC=CC=C1C(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020193062	1	32	-1.0	-47.23	279.98	3.77	-43.46
CC(C)(C)OC(=O)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020193063	0	45	-1.0	-43.96	359.56	6.27	-37.69
CC(C)(C)OC(=O)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020193063	1	45	-1.0	-43.98	359.63	6.29	-37.69
O=C(C1=CC=C(Br)C=C1C(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020193064	0	33	-1.0	-42.76	309.41	5.30	-37.46
O=C(C1=CC=C(Br)C=C1C(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020193064	1	33	-1.0	-42.75	309.49	5.31	-37.44
COC1=CC=CC(C2C(C(=O)N3CCC(C4=N[N-]N=N4)C3)CC(=O)N2C2CC2)=C1	REAL300020193065	0	52	-1.0	-46.97	411.36	6.19	-40.78
COC1=CC=CC(C2C(C(=O)N3CCC(C4=NN=N[N-]4)C3)CC(=O)N2C2CC2)=C1	REAL300020193065	1	52	-1.0	-47.01	411.44	6.20	-40.81
CCOC1=CC(Cl)=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193066	0	37	-1.0	-44.30	321.20	5.27	-39.03
CCOC1=CC(Cl)=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193066	1	37	-1.0	-44.30	321.27	5.28	-39.02
CC1=CN2C(=NC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C2=O)S1	REAL300020193067	0	35	-1.0	-54.67	318.04	3.77	-50.90
CC1=CN2C(=NC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C2=O)S1	REAL300020193067	1	35	-1.0	-54.71	317.96	3.75	-50.96
N#CC1=CC=CC=C1OC1=CC=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193068	0	42	-1.0	-56.39	363.37	7.61	-48.78
N#CC1=CC=CC=C1OC1=CC=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193068	1	42	-1.0	-56.38	363.44	7.62	-48.76
O=C(C1=CC(OCC(F)F)=CC=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193069	0	36	-1.0	-50.74	314.34	3.31	-47.43
O=C(C1=CC(OCC(F)F)=CC=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193069	1	36	-1.0	-50.74	314.26	3.30	-47.44
O=C(C1=CN=C(OC2=CC=CC=C2)C=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193070	0	39	-1.0	-41.68	336.28	2.99	-38.69
O=C(C1=CN=C(OC2=CC=CC=C2)C=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193070	1	39	-1.0	-41.66	336.20	2.99	-38.67
CN1C=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(C2=CC=CC=C2)=N1	REAL300020193071	0	40	-1.0	-48.73	328.87	5.01	-43.72
CN1C=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(C2=CC=CC=C2)=N1	REAL300020193071	1	40	-1.0	-48.75	328.79	4.99	-43.76
COC1=C2C(CC(=O)N3CCC(C4=N[N-]N=N4)C3)=CNC2=CC=C1	REAL300020193072	0	41	-1.0	-49.25	340.77	4.16	-45.09
COC1=C2C(CC(=O)N3CCC(C4=NN=N[N-]4)C3)=CNC2=CC=C1	REAL300020193072	1	41	-1.0	-49.25	340.84	4.16	-45.09
CCCCCCCCC(C)CC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193073	0	53	-1.0	-42.32	406.16	8.46	-33.86
CCCCCCCCC(C)CC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193073	1	53	-1.0	-42.32	406.24	8.47	-33.85
C=CCOC1=CC=CN=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193074	0	37	-1.0	-49.15	311.97	4.84	-44.31
C=CCOC1=CC=CN=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193074	1	37	-1.0	-49.17	311.90	4.84	-44.33
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)SC(C2CCCCC2)=N1	REAL300020193075	0	45	-1.0	-40.55	360.32	5.49	-35.06
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)SC(C2CCCCC2)=N1	REAL300020193075	1	45	-1.0	-40.60	360.39	5.51	-35.09
O=C(C1=CC2=C(OCO2)C([N+](=O)[O-])=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193076	0	35	-1.0	-44.84	303.51	3.22	-41.62
O=C(C1=CC2=C(OCO2)C([N+](=O)[O-])=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193076	1	35	-1.0	-44.81	303.58	3.23	-41.58
CC1=CC(Br)=CC=C1CC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193077	0	36	-1.0	-43.83	318.82	5.87	-37.96
CC1=CC(Br)=CC=C1CC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193077	1	36	-1.0	-43.84	318.90	5.89	-37.95
COC1=CC=C(N2N=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2C)C=C1	REAL300020193078	0	44	-1.0	-45.82	364.19	5.11	-40.71
COC1=CC=C(N2N=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2C)C=C1	REAL300020193078	1	44	-1.0	-45.81	364.26	5.12	-40.69
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(CC2=CC=C(Cl)C=C2)CC1	REAL300020193079	0	40	-1.0	-46.21	345.95	7.08	-39.13
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(CC2=CC=C(Cl)C=C2)CC1	REAL300020193079	1	40	-1.0	-46.22	346.02	7.08	-39.14
COC1=CC=C(C2(C(=O)N3CCC(C4=N[N-]N=N4)C3)CCCC2)C=C1OC	REAL300020193080	0	51	-1.0	-47.68	383.19	5.49	-42.19
COC1=CC=C(C2(C(=O)N3CCC(C4=NN=N[N-]4)C3)CCCC2)C=C1OC	REAL300020193080	1	51	-1.0	-47.67	383.26	5.50	-42.17
CC1=CC(F)=C2NC(=O)C=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C2=C1	REAL300020193081	0	39	-1.0	-41.48	337.28	3.65	-37.83
CC1=CC(F)=C2NC(=O)C=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C2=C1	REAL300020193081	1	39	-1.0	-41.48	337.35	3.66	-37.82
O=C(CC1=CC=CC(OCC2=CC=CN=C2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193082	0	46	-1.0	-49.20	386.92	6.27	-42.93
O=C(CC1=CC=CC(OCC2=CC=CN=C2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193082	1	46	-1.0	-49.18	386.85	6.26	-42.92
COCCC1=NN=C(C2=CC=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C2)O1	REAL300020193083	0	45	-1.0	-45.84	378.11	0.04	-45.80
COCCC1=NN=C(C2=CC=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C2)O1	REAL300020193083	1	45	-1.0	-45.83	378.18	0.06	-45.77
CCC(C)OC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=N1	REAL300020193084	0	42	-1.0	-44.86	340.24	3.00	-41.86
CCC(C)OC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=N1	REAL300020193084	1	42	-1.0	-44.85	340.16	2.99	-41.86
CC(=O)C1=CC=CC(OCC2=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=NO2)=C1	REAL300020193085	0	45	-1.0	-50.91	384.16	5.28	-45.63
CC(=O)C1=CC=CC(OCC2=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=NO2)=C1	REAL300020193085	1	45	-1.0	-50.90	384.23	5.29	-45.61
CC(C)SC1=CC=C([N+](=O)[O-])C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193086	0	42	-1.0	-44.69	357.94	6.75	-37.94
CC(C)SC1=CC=C([N+](=O)[O-])C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193086	1	42	-1.0	-44.68	358.01	6.75	-37.93
CC(C)(C)OC(=O)N1CCCC(COCC(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020193087	0	57	-1.0	-56.28	441.51	6.16	-50.12
CC(C)(C)OC(=O)N1CCCC(COCC(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020193087	1	57	-1.0	-56.31	441.58	6.17	-50.14
CC(CC1=CC=CC=C1)N1C=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193088	0	47	-1.0	-45.76	373.11	8.17	-37.59
CC(CC1=CC=CC=C1)N1C=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193088	1	47	-1.0	-45.75	373.19	8.19	-37.56
CN1C(=O)CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)C1C1=CC=C(Cl)C(F)=C1	REAL300020193089	0	44	-1.0	-48.13	377.80	5.94	-42.19
CN1C(=O)CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)C1C1=CC=C(Cl)C(F)=C1	REAL300020193089	1	44	-1.0	-48.13	377.87	5.94	-42.19
CC(C)CC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC(=O)N1	REAL300020193090	0	42	-1.0	-46.05	345.87	3.88	-42.17
CC(C)CC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC(=O)N1	REAL300020193090	1	42	-1.0	-46.07	345.95	3.88	-42.19
CC1=CC=CC(C2=NOC(SCC(=O)N3CCC(C4=NN=N[N-]4)C3)=N2)=C1	REAL300020193091	0	42	-1.0	-45.46	374.91	4.57	-40.89
CC1=CC=CC(C2=NOC(SCC(=O)N3CCC(C4=N[N-]N=N4)C3)=N2)=C1	REAL300020193091	1	42	-1.0	-45.45	374.83	4.56	-40.89
O=C(C1=CC(Br)=NC=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020193092	0	29	-1.0	-40.99	276.40	2.54	-38.45
O=C(C1=CC(Br)=NC=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020193092	1	29	-1.0	-40.97	276.33	2.53	-38.44
CC(=CC1=CC=CC=C1Cl)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193093	0	37	-1.0	-43.05	322.73	6.11	-36.94
CC(=CC1=CC=CC=C1Cl)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193093	1	37	-1.0	-43.06	322.80	6.12	-36.94
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(C2=CC=C(F)C=C2F)CCCC1	REAL300020193094	0	43	-1.0	-39.19	332.20	6.88	-32.31
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(C2=CC=C(F)C=C2F)CCCC1	REAL300020193094	1	43	-1.0	-39.17	332.27	6.89	-32.28
CC1=NC(COC2=CC=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C2)=NO1	REAL300020193095	0	42	-1.0	-48.23	352.87	2.35	-45.88
CC1=NC(COC2=CC=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C2)=NO1	REAL300020193095	1	42	-1.0	-48.28	352.95	2.37	-45.91
COC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1Cl	REAL300020193096	0	34	-1.0	-41.67	295.53	3.41	-38.26
COC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1Cl	REAL300020193096	1	34	-1.0	-41.65	295.61	3.42	-38.23
CCC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1S(C)(=O)=O	REAL300020193097	0	42	-1.0	-49.13	338.89	2.29	-46.84
CCC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1S(C)(=O)=O	REAL300020193097	1	42	-1.0	-49.14	338.97	2.31	-46.83
CCC1=NN(C)C(Cl)=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193098	0	36	-1.0	-42.26	322.01	3.44	-38.82
CCC1=NN(C)C(Cl)=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193098	1	36	-1.0	-42.24	322.08	3.44	-38.80
CN1C(=O)CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)C1C1=CC=C(F)C=C1	REAL300020193099	0	44	-1.0	-43.75	362.51	5.36	-38.39
CN1C(=O)CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)C1C1=CC=C(F)C=C1	REAL300020193099	1	44	-1.0	-43.74	362.59	5.37	-38.37
COC1=C(Br)SC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020193100	0	31	-1.0	-39.87	294.07	2.76	-37.11
COC1=C(Br)SC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020193100	1	31	-1.0	-39.91	294.14	2.76	-37.15
N#CC1=CC2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2C=C1	REAL300020193101	0	37	-1.0	-46.22	317.08	6.18	-40.04
N#CC1=CC2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2C=C1	REAL300020193101	1	37	-1.0	-46.22	317.16	6.19	-40.03
O=C(C1COC2=CC=C(Br)C=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020193102	0	35	-1.0	-45.95	314.92	4.32	-41.63
O=C(C1COC2=CC=C(Br)C=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020193102	1	35	-1.0	-45.97	314.99	4.32	-41.65
CN(C)S(=O)(=O)C1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CO1	REAL300020193103	0	38	-1.0	-48.64	330.63	-0.20	-48.84
CN(C)S(=O)(=O)C1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CO1	REAL300020193103	1	38	-1.0	-48.65	330.70	-0.19	-48.84
O=C(N1CCC(C2=N[N-]N=N2)C1)C(F)(F)C1=C(F)C=CC=C1F	REAL300020193104	0	33	-1.0	-43.41	296.00	4.68	-38.73
O=C(N1CCC(C2=NN=N[N-]2)C1)C(F)(F)C1=C(F)C=CC=C1F	REAL300020193104	1	33	-1.0	-43.43	296.07	4.70	-38.73
N#CC1=CC=C(C2CC2C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020193105	0	38	-1.0	-45.75	328.80	6.48	-39.27
N#CC1=CC=C(C2CC2C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020193105	1	38	-1.0	-45.77	328.88	6.48	-39.29
O=C(C1=CN=CC(I)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193106	0	29	-1.0	-39.71	272.88	2.89	-36.82
O=C(C1=CN=CC(I)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193106	1	29	-1.0	-39.69	272.80	2.88	-36.81
CC1CC(C)CC2(C1)NC(=O)N(CC(=O)N1CCC(C3=N[N-]N=N3)C1)C2=O	REAL300020193107	0	51	-1.0	-50.14	394.42	3.61	-46.53
CC1CC(C)CC2(C1)NC(=O)N(CC(=O)N1CCC(C3=NN=N[N-]3)C1)C2=O	REAL300020193107	1	51	-1.0	-50.13	394.50	3.63	-46.50
COC1=CC=C(COCCCC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020193108	0	47	-1.0	-48.51	387.16	4.94	-43.57
COC1=CC=C(COCCCC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020193108	1	47	-1.0	-48.50	387.23	4.95	-43.55
O=C(C1=CC(Br)=CC2=CC=CN=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020193109	0	35	-1.0	-48.88	315.75	4.95	-43.93
O=C(C1=CC(Br)=CC2=CC=CN=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020193109	1	35	-1.0	-48.89	315.68	4.93	-43.96
CC(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=CC(C(=O)C2=CC=CC=C2)=C1	REAL300020193110	0	48	-1.0	-45.52	391.46	8.33	-37.19
CC(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=CC(C(=O)C2=CC=CC=C2)=C1	REAL300020193110	1	48	-1.0	-45.51	391.53	8.34	-37.17
CCSC1=CC=C([N+](=O)[O-])C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193111	0	39	-1.0	-45.03	341.30	6.21	-38.82
CCSC1=CC=C([N+](=O)[O-])C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193111	1	39	-1.0	-45.03	341.38	6.21	-38.82
CCC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=NN1CC(C)C	REAL300020193112	0	45	-1.0	-43.98	346.70	4.49	-39.49
CCC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=NN1CC(C)C	REAL300020193112	1	45	-1.0	-44.00	346.77	4.49	-39.51
O=C(CCC(=O)N1CCC(C2=N[N-]N=N2)C1)NC1CCCC1	REAL300020193113	0	43	-1.0	-43.14	345.85	3.10	-40.04
O=C(CCC(=O)N1CCC(C2=NN=N[N-]2)C1)NC1CCCC1	REAL300020193113	1	43	-1.0	-43.17	345.92	3.11	-40.06
O=C(C1=CC=C([N+](=O)[O-])C2=CC=CN=C12)N1CCC(C2=NN=N[N-]2)C1	REAL300020193114	0	37	-1.0	-47.32	319.21	4.87	-42.45
O=C(C1=CC=C([N+](=O)[O-])C2=CC=CN=C12)N1CCC(C2=N[N-]N=N2)C1	REAL300020193114	1	37	-1.0	-47.29	319.14	4.86	-42.43
O=C(CC1=CNC2=CC=C([N+](=O)[O-])C=C12)N1CCC(C2=N[N-]N=N2)C1	REAL300020193115	0	39	-1.0	-52.22	340.73	5.50	-46.72
O=C(CC1=CNC2=CC=C([N+](=O)[O-])C=C12)N1CCC(C2=NN=N[N-]2)C1	REAL300020193115	1	39	-1.0	-52.22	340.80	5.50	-46.72
CC(C)NC(=O)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020193116	0	43	-1.0	-48.36	348.45	3.51	-44.85
CC(C)NC(=O)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020193116	1	43	-1.0	-48.40	348.52	3.52	-44.88
O=C(C1=CC=CC(C2=NNC=N2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193117	0	36	-1.0	-47.03	305.17	4.44	-42.59
O=C(C1=CC=CC(C2=NNC=N2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193117	1	36	-1.0	-47.07	305.24	4.45	-42.62
CC(C)(C)OC(=O)N1CCC(CCC(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020193118	0	53	-1.0	-46.96	412.87	5.61	-41.35
CC(C)(C)OC(=O)N1CCC(CCC(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020193118	1	53	-1.0	-46.97	412.95	5.63	-41.34
CC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=NN1C1=CC=CC=C1Cl	REAL300020193119	0	40	-1.0	-47.05	350.04	6.49	-40.56
CC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=NN1C1=CC=CC=C1Cl	REAL300020193119	1	40	-1.0	-47.09	350.11	6.50	-40.59
O=C(C1=CN(C2=CC=CC(Cl)=C2F)N=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193120	0	36	-1.0	-43.64	329.88	4.40	-39.24
O=C(C1=CN(C2=CC=CC(Cl)=C2F)N=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193120	1	36	-1.0	-43.65	329.81	4.39	-39.26
O=C(C1=CC=CC(C2=COC=C2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193121	0	37	-1.0	-46.43	308.98	5.16	-41.27
O=C(C1=CC=CC(C2=COC=C2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193121	1	37	-1.0	-46.43	309.05	5.16	-41.27
COC1=CC2=C(CC(=O)N3CCC(C4=N[N-]N=N4)C3)C=CC=C2C=C1	REAL300020193122	0	43	-1.0	-48.46	352.73	6.19	-42.27
COC1=CC2=C(CC(=O)N3CCC(C4=NN=N[N-]4)C3)C=CC=C2C=C1	REAL300020193122	1	43	-1.0	-48.44	352.80	6.20	-42.24
CC(C)(C)OC(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020193123	0	46	-1.0	-46.12	358.73	6.47	-39.65
CC(C)(C)OC(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020193123	1	46	-1.0	-46.13	358.80	6.47	-39.66
O=C(C1=C(N2C=CC=C2)SC2=C1CCC2)N1CCC(C2=N[N-]N=N2)C1	REAL300020193124	0	42	-1.0	-45.60	354.49	7.95	-37.65
O=C(C1=C(N2C=CC=C2)SC2=C1CCC2)N1CCC(C2=NN=N[N-]2)C1	REAL300020193124	1	42	-1.0	-45.61	354.56	7.95	-37.66
O=C(C1=CC=CC(C2CCOC2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193125	0	41	-1.0	-44.01	324.80	4.17	-39.84
O=C(C1=CC=CC(C2CCOC2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193125	1	41	-1.0	-43.99	324.87	4.18	-39.81
O=C(CN1C=NC(C2=CC=CC=C2)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193126	0	39	-1.0	-56.82	336.90	6.49	-50.33
O=C(CN1C=NC(C2=CC=CC=C2)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193126	1	39	-1.0	-56.82	336.83	6.49	-50.33
CC(=O)N(CCC1=CC=CC=C1)CC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193127	0	46	-1.0	-50.59	379.59	6.44	-44.15
CC(=O)N(CCC1=CC=CC=C1)CC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193127	1	46	-1.0	-50.56	379.67	6.44	-44.12
CC(SC1=NC2=CC=CC=C2S1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193128	0	39	-1.0	-43.37	348.33	5.71	-37.66
CC(SC1=NC2=CC=CC=C2S1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193128	1	39	-1.0	-43.37	348.25	5.71	-37.66
CC(C)(C)OC(=O)N1CCC[C@H]1CCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193129	0	53	-1.0	-52.71	407.14	5.49	-47.22
CC(C)(C)OC(=O)N1CCC[C@H]1CCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193129	1	53	-1.0	-52.71	407.22	5.50	-47.21
CC1=CC(F)=CC=C1N1C=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)N=N1	REAL300020193130	0	39	-1.0	-41.72	332.29	4.70	-37.02
CC1=CC(F)=CC=C1N1C=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)N=N1	REAL300020193130	1	39	-1.0	-41.76	332.22	4.70	-37.06
CCC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C2=CC=CC=C2O1	REAL300020193131	0	39	-1.0	-44.29	330.84	5.92	-38.37
CCC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C2=CC=CC=C2O1	REAL300020193131	1	39	-1.0	-44.32	330.92	5.92	-38.40
COC1=CC=CC(C2=NC(C)=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)N2)=C1	REAL300020193132	0	44	-1.0	-44.82	359.88	4.51	-40.31
COC1=CC=CC(C2=NC(C)=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)N2)=C1	REAL300020193132	1	44	-1.0	-44.85	359.95	4.53	-40.32
O=C(CC1=CC=C(S(=O)(=O)CCO)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193133	0	43	-1.0	-53.76	374.33	-0.15	-53.91
O=C(CC1=CC=C(S(=O)(=O)CCO)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193133	1	43	-1.0	-53.73	374.41	-0.13	-53.86
NS(=O)(=O)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=N1	REAL300020193134	0	34	-1.0	-49.18	300.14	-3.36	-52.54
NS(=O)(=O)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=N1	REAL300020193134	1	34	-1.0	-49.15	300.07	-3.36	-52.51
O=C(C1=CN(C2=CC=C(Br)C=C2)C=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193135	0	37	-1.0	-44.81	334.13	7.32	-37.49
O=C(C1=CN(C2=CC=C(Br)C=C2)C=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193135	1	37	-1.0	-44.81	334.05	7.32	-37.49
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)NC(C2=CC=CC(C(F)(F)F)=C2)=N1	REAL300020193136	0	43	-1.0	-44.28	369.44	6.22	-38.06
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)NC(C2=CC=CC(C(F)(F)F)=C2)=N1	REAL300020193136	1	43	-1.0	-44.30	369.51	6.23	-38.07
CN(C(=O)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1)C1=CC=CC=C1	REAL300020193137	0	47	-1.0	-49.81	370.75	6.52	-43.29
CN(C(=O)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1)C1=CC=CC=C1	REAL300020193137	1	47	-1.0	-49.78	370.82	6.53	-43.25
O=C(CC1=CNC2=CC=CC(Br)=C12)N1CCC(C2=N[N-]N=N2)C1	REAL300020193138	0	37	-1.0	-47.68	328.58	5.26	-42.42
O=C(CC1=CNC2=CC=CC(Br)=C12)N1CCC(C2=NN=N[N-]2)C1	REAL300020193138	1	37	-1.0	-47.75	328.65	5.27	-42.48
COC1=CC=C(C(F)(F)C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020193139	0	37	-1.0	-40.07	316.39	3.98	-36.09
COC1=CC=C(C(F)(F)C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020193139	1	37	-1.0	-40.07	316.46	3.98	-36.09
O=C(C1=NN(C2=CC=CC=C2F)C(=O)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193140	0	39	-1.0	-44.17	341.87	4.87	-39.30
O=C(C1=NN(C2=CC=CC=C2F)C(=O)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193140	1	39	-1.0	-44.14	341.94	4.87	-39.27
O=C(NC1CC1)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020193141	0	41	-1.0	-48.22	338.06	3.56	-44.66
O=C(NC1CC1)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020193141	1	41	-1.0	-48.20	338.13	3.57	-44.63
CC(C)CC(NC(=O)OCC1=CC=CC=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193142	0	53	-1.0	-42.22	420.36	5.83	-36.39
CC(C)CC(NC(=O)OCC1=CC=CC=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193142	1	53	-1.0	-42.23	420.44	5.84	-36.39
COC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC(OC)=C1O	REAL300020193143	0	39	-1.0	-44.08	319.26	0.60	-43.48
COC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC(OC)=C1O	REAL300020193143	1	39	-1.0	-44.11	319.33	0.60	-43.51
O=C(C1=CN2C(=O)NN=C2C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193144	0	33	-1.0	-44.55	292.42	2.31	-42.24
O=C(C1=CN2C(=O)NN=C2C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193144	1	33	-1.0	-44.54	292.50	2.32	-42.22
O=C(C1CCN(C2=CN=CC3=NN=NN32)CC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193145	0	45	-1.0	-53.01	359.55	3.55	-49.46
O=C(C1CCN(C2=CN=CC3=NN=NN32)CC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193145	1	45	-1.0	-52.96	359.47	3.54	-49.42
N#CC1=CC(Cl)=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(Cl)=C1	REAL300020193146	0	31	-1.0	-42.22	312.16	5.13	-37.09
N#CC1=CC(Cl)=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(Cl)=C1	REAL300020193146	1	31	-1.0	-42.21	312.23	5.15	-37.06
O=C(N1CCC(C2=N[N-]N=N2)C1)C12CCC(CC1Br)C2	REAL300020193147	0	37	-1.0	-42.84	294.41	4.65	-38.19
O=C(N1CCC(C2=NN=N[N-]2)C1)C12CCC(CC1Br)C2	REAL300020193147	1	37	-1.0	-42.85	294.48	4.66	-38.19
CC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1Br	REAL300020193148	0	33	-1.0	-41.82	289.50	4.74	-37.08
CC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1Br	REAL300020193148	1	33	-1.0	-41.82	289.57	4.75	-37.07
O=C(C1=CC=CC(C2=C(F)C=CC=C2F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193149	0	40	-1.0	-44.83	343.00	7.30	-37.53
O=C(C1=CC=CC(C2=C(F)C=CC=C2F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193149	1	40	-1.0	-44.84	343.08	7.31	-37.53
CCS(=O)(=O)C1=CC=C(CCC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020193150	0	45	-1.0	-49.47	384.29	3.99	-45.48
CCS(=O)(=O)C1=CC=C(CCC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020193150	1	45	-1.0	-49.46	384.37	4.00	-45.46
CC(C)CC1=CC=C(C(C)C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020193151	0	48	-1.0	-43.38	378.21	7.84	-35.54
CC(C)CC1=CC=C(C(C)C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020193151	1	48	-1.0	-43.38	378.28	7.85	-35.53
O=C(C1=CC(F)=C(Cl)C=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020193152	0	30	-1.0	-40.68	282.37	4.35	-36.33
O=C(C1=CC(F)=C(Cl)C=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020193152	1	30	-1.0	-40.73	282.44	4.36	-36.37
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)SC(N(C)C)=N1	REAL300020193153	0	37	-1.0	-43.80	311.81	3.27	-40.53
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)SC(N(C)C)=N1	REAL300020193153	1	37	-1.0	-43.80	311.89	3.27	-40.53
CCOC(=O)C1=CN=C(C)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020193154	0	41	-1.0	-41.71	344.03	4.09	-37.62
CCOC(=O)C1=CN=C(C)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020193154	1	41	-1.0	-41.68	344.11	4.09	-37.59
CC(C(=O)N1CCC(C2=N[N-]N=N2)C1)N1CCC2=CC=CC=C21	REAL300020193155	0	42	-1.0	-45.97	322.97	4.04	-41.93
CC(C(=O)N1CCC(C2=NN=N[N-]2)C1)N1CCC2=CC=CC=C21	REAL300020193155	1	42	-1.0	-45.98	323.05	4.05	-41.93
O=C(C1=CC=C(Br)C=C1N1C=NC=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193156	0	36	-1.0	-48.42	324.96	7.30	-41.12
O=C(C1=CC=C(Br)C=C1N1C=NC=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193156	1	36	-1.0	-48.38	324.88	7.29	-41.09
CN1C(=O)OC2=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=CC=C21	REAL300020193157	0	36	-1.0	-56.39	308.84	3.70	-52.69
CN1C(=O)OC2=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=CC=C21	REAL300020193157	1	36	-1.0	-56.45	308.91	3.71	-52.74
N#CC1=CC=CC=C1OC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1Cl	REAL300020193158	0	42	-1.0	-47.72	376.31	7.38	-40.34
N#CC1=CC=CC=C1OC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020193158	1	42	-1.0	-47.71	376.38	7.40	-40.31
O=C(C1=CN=C(C2CCCO2)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193159	0	37	-1.0	-43.84	316.74	1.88	-41.96
O=C(C1=CN=C(C2CCCO2)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193159	1	37	-1.0	-43.84	316.81	1.89	-41.95
O=C(C1=CC(F)=CC2=CC=CN=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020193160	0	35	-1.0	-48.85	300.91	4.41	-44.44
O=C(C1=CC(F)=CC2=CC=CN=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020193160	1	35	-1.0	-48.83	300.83	4.40	-44.43
O=C(C1=CC([N+](=O)[O-])=CC=C1SC1CCCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193161	0	46	-1.0	-44.17	382.50	8.03	-36.14
O=C(C1=CC([N+](=O)[O-])=CC=C1SC1CCCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193161	1	46	-1.0	-44.17	382.57	8.04	-36.13
CC(=O)C1=CC=C(OC2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2)C=C1	REAL300020193162	0	46	-1.0	-47.53	379.70	6.85	-40.68
CC(=O)C1=CC=C(OC2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2)C=C1	REAL300020193162	1	46	-1.0	-47.54	379.77	6.86	-40.68
CC1=NC2=CC=NN2C(C)=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193163	0	38	-1.0	-41.49	318.24	3.90	-37.59
CC1=NC2=CC=NN2C(C)=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193163	1	38	-1.0	-41.42	318.32	3.90	-37.52
O=C(C1=CC=CC(OCC(F)F)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193164	0	36	-1.0	-43.85	315.08	2.82	-41.03
O=C(C1=CC=CC(OCC(F)F)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193164	1	36	-1.0	-43.85	315.01	2.81	-41.04
O=C(C1=CN=CC(N2CCOCC2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193165	0	42	-1.0	-43.34	329.22	0.58	-42.76
O=C(C1=CN=CC(N2CCOCC2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193165	1	42	-1.0	-43.31	329.15	0.57	-42.74
CC1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1Br	REAL300020193166	0	33	-1.0	-44.55	290.99	4.85	-39.70
CC1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1Br	REAL300020193166	1	33	-1.0	-44.51	291.07	4.87	-39.64
O=C(C1CCC2CCCCC2C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193167	0	46	-1.0	-42.69	333.97	6.45	-36.24
O=C(C1CCC2CCCCC2C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193167	1	46	-1.0	-42.72	334.04	6.46	-36.26
CC(C)(C)OC(=O)NC(CC(F)F)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193168	0	46	-1.0	-36.93	363.67	2.29	-34.64
CC(C)(C)OC(=O)NC(CC(F)F)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193168	1	46	-1.0	-36.95	363.74	2.30	-34.65
O=C(CCCC1=CC(F)=CC=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020193169	0	39	-1.0	-45.77	335.50	6.45	-39.32
O=C(CCCC1=CC(F)=CC=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020193169	1	39	-1.0	-45.79	335.57	6.47	-39.32
O=C(C1=CC=C2NC(C3=CC=C(Cl)C=C3)=NC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193170	0	43	-1.0	-45.77	371.99	6.64	-39.13
O=C(C1=CC=C2NC(C3=CC=C(Cl)C=C3)=NC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193170	1	43	-1.0	-45.81	372.06	6.65	-39.16
COC1=CC=C(CC(C)C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020193171	0	43	-1.0	-37.48	346.78	5.19	-32.29
COC1=CC=C(CC(C)C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020193171	1	43	-1.0	-37.47	346.85	5.20	-32.27
O=C(NC1=CC=CC=C1)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020193172	0	44	-1.0	-49.23	362.00	5.58	-43.65
O=C(NC1=CC=CC=C1)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020193172	1	44	-1.0	-49.20	362.08	5.59	-43.61
CC(C)CC1=CC=C(CCCC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020193173	0	51	-1.0	-44.72	404.78	9.04	-35.68
CC(C)CC1=CC=C(CCCC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020193173	1	51	-1.0	-44.71	404.86	9.05	-35.66
CC1=NOC(C)=C1C(C)CC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193174	0	41	-1.0	-43.04	327.57	4.62	-38.42
CC1=NOC(C)=C1C(C)CC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193174	1	41	-1.0	-43.06	327.64	4.63	-38.43
CC(C)(CCC(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020193175	0	45	-1.0	-44.79	349.66	6.90	-37.89
CC(C)(CCC(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020193175	1	45	-1.0	-44.82	349.74	6.91	-37.91
COC1=CC=C(CCCC(=O)N2CCC(C3=N[N-]N=N3)C2)C(OC)=C1	REAL300020193176	0	47	-1.0	-47.88	381.43	5.01	-42.87
COC1=CC=C(CCCC(=O)N2CCC(C3=NN=N[N-]3)C2)C(OC)=C1	REAL300020193176	1	47	-1.0	-47.90	381.51	5.02	-42.88
CCS(=O)(=O)C1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020193177	0	39	-1.0	-49.18	332.20	1.97	-47.21
CCS(=O)(=O)C1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020193177	1	39	-1.0	-49.20	332.27	1.99	-47.21
CC1=CC=C(S(N)(=O)=O)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020193178	0	38	-1.0	-47.11	322.16	0.00	-47.11
CC1=CC=C(S(N)(=O)=O)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020193178	1	38	-1.0	-47.13	322.24	0.02	-47.11
CC1=NNC(C)=C1C(C)CC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193179	0	42	-1.0	-43.89	329.60	3.33	-40.56
CC1=NNC(C)=C1C(C)CC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193179	1	42	-1.0	-43.92	329.68	3.35	-40.57
O=C(C1=CC=NC(N2CCCC2)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193180	0	40	-1.0	-41.51	324.20	4.40	-37.11
O=C(C1=CC=NC(N2CCCC2)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193180	1	40	-1.0	-41.50	324.13	4.39	-37.11
O=C(C1CCCN(CC(F)(F)F)C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193181	0	41	-1.0	-45.29	325.38	2.34	-42.95
O=C(C1CCCN(CC(F)(F)F)C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193181	1	41	-1.0	-45.28	325.45	2.35	-42.93
O=C(C1=CC=CC(N2C=CN=N2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193182	0	36	-1.0	-49.61	302.52	3.47	-46.14
O=C(C1=CC=CC(N2C=CN=N2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193182	1	36	-1.0	-49.66	302.45	3.46	-46.20
O=C(C1=CC(Br)=CC(C(F)(F)F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193183	0	33	-1.0	-39.43	310.38	5.17	-34.26
O=C(C1=CC(Br)=CC(C(F)(F)F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193183	1	33	-1.0	-39.41	310.45	5.18	-34.23
COC1=CC=C2C(=C1)OCC2CC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193184	0	42	-1.0	-44.15	342.79	3.81	-40.34
COC1=CC=C2C(=C1)OCC2CC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193184	1	42	-1.0	-44.15	342.86	3.82	-40.33
CCC(C)N1N=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1C1CC1	REAL300020193185	0	46	-1.0	-43.77	359.82	5.44	-38.33
CCC(C)N1N=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1C1CC1	REAL300020193185	1	46	-1.0	-43.79	359.89	5.45	-38.34
COCCSC1=CC=C([N+](=O)[O-])C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193186	0	43	-1.0	-43.85	374.98	5.29	-38.56
COCCSC1=CC=C([N+](=O)[O-])C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193186	1	43	-1.0	-43.84	375.05	5.29	-38.55
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=NN1C1CCCC1	REAL300020193187	0	43	-1.0	-43.94	335.90	4.81	-39.13
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=NN1C1CCCC1	REAL300020193187	1	43	-1.0	-43.93	335.97	4.81	-39.12
CCC1=CSC(N2C=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=N2)=N1	REAL300020193188	0	39	-1.0	-46.93	341.23	4.35	-42.58
CCC1=CSC(N2C=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=N2)=N1	REAL300020193188	1	39	-1.0	-46.90	341.15	4.34	-42.56
O=C(C1=CNC2=CC=CC([N+](=O)[O-])=C12)N1CCC(C2=N[N-]N=N2)C1	REAL300020193189	0	36	-1.0	-64.02	305.44	5.43	-58.59
O=C(C1=CNC2=CC=CC([N+](=O)[O-])=C12)N1CCC(C2=NN=N[N-]2)C1	REAL300020193189	1	36	-1.0	-64.04	305.51	5.43	-58.61
CC(C)(C)OC(=O)NC1(C)CCCCC1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193190	0	56	-1.0	-37.33	409.88	5.35	-31.98
CC(C)(C)OC(=O)NC1(C)CCCCC1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193190	1	56	-1.0	-37.35	409.95	5.37	-31.98
CC(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=C(F)C=CC=C1F	REAL300020193191	0	36	-1.0	-43.86	303.30	5.20	-38.66
CC(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=C(F)C=CC=C1F	REAL300020193191	1	36	-1.0	-43.91	303.37	5.21	-38.70
CC(C)C(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=C(F)C=C1	REAL300020193192	0	42	-1.0	-43.91	341.42	6.37	-37.54
CC(C)C(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=C(F)C=C1	REAL300020193192	1	42	-1.0	-43.91	341.49	6.37	-37.54
N#CCOC1=CC=CC(CC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020193193	0	38	-1.0	-50.72	331.45	4.77	-45.95
N#CCOC1=CC=CC(CC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020193193	1	38	-1.0	-50.67	331.52	4.79	-45.88
CC1=CC=C(C2=NC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=CS2)N1C	REAL300020193194	0	40	-1.0	-45.25	341.94	4.90	-40.35
CC1=CC=C(C2=NC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=CS2)N1C	REAL300020193194	1	40	-1.0	-45.26	341.87	4.88	-40.38
CN1C(=O)CCC2=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=CC=C21	REAL300020193195	0	41	-1.0	-46.29	326.58	4.47	-41.82
CN1C(=O)CCC2=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=CC=C21	REAL300020193195	1	41	-1.0	-46.27	326.65	4.47	-41.80
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=NN1CCOC1CCCCO1	REAL300020193196	0	51	-1.0	-44.54	401.66	4.17	-40.37
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=NN1CCOC1CCCCO1	REAL300020193196	1	51	-1.0	-44.57	401.73	4.18	-40.39
O=C(C1=CC2=CC(F)=CC=C2N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193197	0	35	-1.0	-42.92	297.67	4.02	-38.90
O=C(C1=CC2=CC(F)=CC=C2N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193197	1	35	-1.0	-42.88	297.60	4.02	-38.86
O=C(C1=CC=NC(OCC(F)F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193198	0	36	-1.0	-48.85	312.35	1.58	-47.27
O=C(C1=CC=NC(OCC(F)F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193198	1	36	-1.0	-48.83	312.28	1.57	-47.26
O=C(CCC1=CC(Br)=CC=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020193199	0	36	-1.0	-42.87	328.88	6.22	-36.65
O=C(CCC1=CC(Br)=CC=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020193199	1	36	-1.0	-42.88	328.95	6.23	-36.65
CC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=NN1C1=CC=C(Cl)C=C1Cl	REAL300020193200	0	40	-1.0	-44.94	366.88	7.00	-37.94
CC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=NN1C1=CC=C(Cl)C=C1Cl	REAL300020193200	1	40	-1.0	-44.93	366.96	7.01	-37.92
CCC(CC)N1N=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1C	REAL300020193201	0	45	-1.0	-45.30	358.73	5.53	-39.77
CCC(CC)N1N=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1C	REAL300020193201	1	45	-1.0	-45.30	358.80	5.54	-39.76
CC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=NN1C1CCCCC1	REAL300020193202	0	46	-1.0	-44.89	361.85	5.89	-39.00
CC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=NN1C1CCCCC1	REAL300020193202	1	46	-1.0	-44.86	361.92	5.91	-38.95
CC(CC1=CC=CC=C1Cl)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193203	0	39	-1.0	-42.22	331.34	6.29	-35.93
CC(CC1=CC=CC=C1Cl)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193203	1	39	-1.0	-42.21	331.41	6.29	-35.92
O=C(CCCC(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=C(Cl)C(Cl)=C1	REAL300020193204	0	41	-1.0	-51.02	375.72	7.15	-43.87
O=C(CCCC(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=C(Cl)C(Cl)=C1	REAL300020193204	1	41	-1.0	-51.03	375.80	7.17	-43.86
O=C(C1=CC=CN=C1OCC(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020193205	0	36	-1.0	-52.65	315.13	2.49	-50.16
O=C(C1=CC=CN=C1OCC(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020193205	1	36	-1.0	-52.61	315.06	2.48	-50.13
O=C(C1=CC(N2CCCC2=O)=CC=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020193206	0	41	-1.0	-52.34	345.31	5.34	-47.00
O=C(C1=CC(N2CCCC2=O)=CC=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020193206	1	41	-1.0	-52.31	345.38	5.34	-46.97
O=C(N1CCC(C2=N[N-]N=N2)C1)C(F)(F)C1=CC=CC=C1F	REAL300020193207	0	33	-1.0	-42.00	291.57	4.67	-37.33
O=C(N1CCC(C2=NN=N[N-]2)C1)C(F)(F)C1=CC=CC=C1F	REAL300020193207	1	33	-1.0	-42.00	291.64	4.68	-37.32
COCC1=NC(C)=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020193208	0	36	-1.0	-42.01	310.09	1.28	-40.73
COCC1=NC(C)=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020193208	1	36	-1.0	-42.01	310.16	1.29	-40.72
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)NC(C2=CC(C)=CC=C2)=N1	REAL300020193209	0	43	-1.0	-42.98	351.81	5.88	-37.10
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)NC(C2=CC(C)=CC=C2)=N1	REAL300020193209	1	43	-1.0	-43.01	351.88	5.89	-37.12
CC(C)(C)S(=O)(=O)CC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193210	0	38	-1.0	-57.89	317.52	0.80	-57.09
CC(C)(C)S(=O)(=O)CC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193210	1	38	-1.0	-57.91	317.60	0.81	-57.10
COC1=CC=CC=C1SCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193211	0	38	-1.0	-47.98	327.96	4.60	-43.38
COC1=CC=CC=C1SCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193211	1	38	-1.0	-48.04	328.03	4.60	-43.44
CC(CC1=CC=CC(Cl)=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193212	0	39	-1.0	-42.30	334.80	6.41	-35.89
CC(CC1=CC=CC(Cl)=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193212	1	39	-1.0	-42.36	334.88	6.42	-35.94
O=C(C1=CC=C(OCC(F)F)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193213	0	36	-1.0	-45.05	311.88	1.57	-43.48
O=C(C1=CC=C(OCC(F)F)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193213	1	36	-1.0	-45.04	311.81	1.56	-43.48
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=NN1C1=CC=NC=C1	REAL300020193214	0	39	-1.0	-44.18	322.47	3.48	-40.70
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=NN1C1=CC=NC=C1	REAL300020193214	1	39	-1.0	-44.22	322.54	3.50	-40.72
O=C(C1=CC2=CC=CC=C2C=C1OC(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020193215	0	40	-1.0	-47.11	338.57	6.41	-40.70
O=C(C1=CC2=CC=CC=C2C=C1OC(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020193215	1	40	-1.0	-47.15	338.64	6.41	-40.74
CC1=NN(CC(F)(F)F)C(C)=C1CC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193216	0	42	-1.0	-48.26	362.02	4.78	-43.48
CC1=NN(CC(F)(F)F)C(C)=C1CC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193216	1	42	-1.0	-48.25	362.09	4.79	-43.46
CC(C)(C)OC(=O)NCC1(CC(=O)N2CCC(C3=N[N-]N=N3)C2)CCCCC1	REAL300020193217	0	59	-1.0	-49.96	430.12	5.32	-44.64
CC(C)(C)OC(=O)NCC1(CC(=O)N2CCC(C3=NN=N[N-]3)C2)CCCCC1	REAL300020193217	1	59	-1.0	-49.97	430.19	5.34	-44.63
CCC(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=C(F)C=C1	REAL300020193218	0	39	-1.0	-43.32	318.18	5.77	-37.55
CCC(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=C(F)C=C1	REAL300020193218	1	39	-1.0	-43.33	318.26	5.78	-37.55
CC1=C(CC(=O)N2CCC(C3=N[N-]N=N3)C2)C2=CC=CC=C2O1	REAL300020193219	0	39	-1.0	-48.22	328.14	5.88	-42.34
CC1=C(CC(=O)N2CCC(C3=NN=N[N-]3)C2)C2=CC=CC=C2O1	REAL300020193219	1	39	-1.0	-48.14	328.21	5.88	-42.26
CCS(=O)(=O)C1=CC=CC(CC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020193220	0	42	-1.0	-55.41	362.91	3.17	-52.24
CCS(=O)(=O)C1=CC=CC(CC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020193220	1	42	-1.0	-55.43	362.98	3.19	-52.24
CCSC1=CC(Cl)=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193221	0	37	-1.0	-43.06	329.85	6.05	-37.01
CCSC1=CC(Cl)=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193221	1	37	-1.0	-43.09	329.92	6.05	-37.04
CCC(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1CCC(C)CC1	REAL300020193222	0	48	-1.0	-43.55	352.59	6.30	-37.25
CCC(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1CCC(C)CC1	REAL300020193222	1	48	-1.0	-43.57	352.67	6.32	-37.25
CC(C)CN1N=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)CCC1=O	REAL300020193223	0	43	-1.0	-39.75	342.74	3.80	-35.95
CC(C)CN1N=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)CCC1=O	REAL300020193223	1	43	-1.0	-39.74	342.81	3.82	-35.92
O=C(CCC(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=C2NC(=O)CCC2=C1	REAL300020193224	0	46	-1.0	-46.26	381.98	4.57	-41.69
O=C(CCC(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=C2NC(=O)CCC2=C1	REAL300020193224	1	46	-1.0	-46.26	382.06	4.59	-41.67
CC1=CC(C)=C(Br)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020193225	0	36	-1.0	-43.48	312.25	5.55	-37.93
CC1=CC(C)=C(Br)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020193225	1	36	-1.0	-43.46	312.32	5.56	-37.90
COCC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=NN1C1=CC=CC=C1	REAL300020193226	0	44	-1.0	-46.43	357.61	4.45	-41.98
COCC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=NN1C1=CC=CC=C1	REAL300020193226	1	44	-1.0	-46.44	357.69	4.45	-41.99
O=C(C1CC1C1=CC(F)=C(F)C(F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193227	0	37	-1.0	-44.49	327.09	6.26	-38.23
O=C(C1CC1C1=CC(F)=C(F)C(F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193227	1	37	-1.0	-44.48	327.17	6.27	-38.21
O=C(C=CC1=CC(F)=C(F)C(F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193228	0	34	-1.0	-43.85	308.87	5.42	-38.43
O=C(C=CC1=CC(F)=C(F)C(F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193228	1	34	-1.0	-43.83	308.94	5.44	-38.39
COC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)N=C1Cl	REAL300020193229	0	33	-1.0	-42.42	295.50	2.52	-39.90
COC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)N=C1Cl	REAL300020193229	1	33	-1.0	-42.43	295.43	2.51	-39.92
CC(C)(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=C([N+](=O)[O-])C=C1F	REAL300020193230	0	41	-1.0	-48.49	333.69	5.69	-42.80
CC(C)(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=C([N+](=O)[O-])C=C1F	REAL300020193230	1	41	-1.0	-48.49	333.77	5.70	-42.79
O=C(C1=CC=C(I)C(O)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193231	0	31	-1.0	-43.06	287.73	1.86	-41.20
O=C(C1=CC=C(I)C(O)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193231	1	31	-1.0	-43.07	287.80	1.86	-41.21
O=C(C1=CC=C(I)C([O-])=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193231	1	30	-2.0	-88.22	284.16	2.62	-85.60
O=C(C1=CC=C(I)C([O-])=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193231	1	30	-2.0	-88.17	284.24	2.63	-85.54
CCC(CC1=CC=C([N+](=O)[O-])C=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193232	0	44	-1.0	-44.84	355.60	6.88	-37.96
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C[NH+](C)CC1(C(=O)N2CCC(C3=NN=N[N-]3)C2)CCCCC1	REAL300020193236	1	48	0.0	-65.43	332.72	5.23	-60.20
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CC1=NC=CC(NCC2=CC=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C2)=N1	REAL300020193241	1	46	-1.0	-47.60	378.15	5.05	-42.55
CC1=[NH+]C=CC(NCC2=CC=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C2)=N1	REAL300020193241	1	47	0.0	-69.47	381.28	5.50	-63.97
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C[N@H+](CCC(=O)N1CCC(C2=N[N-]N=N2)C1)C1CCCCC1	REAL300020193245	0	48	0.0	-65.77	354.72	6.10	-59.67
C[N@@H+](CCC(=O)N1CCC(C2=N[N-]N=N2)C1)C1CCCCC1	REAL300020193245	1	48	0.0	-65.96	354.71	6.09	-59.87
C[N@H+](CCC(=O)N1CCC(C2=NN=N[N-]2)C1)C1CCCCC1	REAL300020193245	1	48	0.0	-65.81	354.80	6.12	-59.69
C[N@@H+](CCC(=O)N1CCC(C2=NN=N[N-]2)C1)C1CCCCC1	REAL300020193245	1	48	0.0	-65.98	354.79	6.10	-59.88
CCC1CCCCC1OCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193246	0	46	-1.0	-45.81	355.05	6.09	-39.72
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CN1N=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1OC(F)F	REAL300020193257	0	34	-1.0	-46.55	300.81	0.87	-45.68
CN1N=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1OC(F)F	REAL300020193257	1	34	-1.0	-46.53	300.73	0.85	-45.68
CC1=CC=C(C(=O)CC(C)(C)CC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020193258	0	50	-1.0	-50.62	387.64	7.89	-42.73
CC1=CC=C(C(=O)CC(C)(C)CC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020193258	1	50	-1.0	-50.60	387.72	7.90	-42.70
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)NN=C1C1=CC=CC=C1	REAL300020193259	0	40	-1.0	-41.72	328.03	4.64	-37.08
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)NN=C1C1=CC=CC=C1	REAL300020193259	1	40	-1.0	-41.74	328.10	4.64	-37.10
CC1=C(C2=CC=CC=C2)NN=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193259	1	40	-1.0	-43.21	331.18	4.69	-38.52
N#CC1=CC=C(C(=O)NCC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020193260	0	38	-1.0	-43.97	335.88	2.94	-41.03
N#CC1=CC=C(C(=O)NCC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020193260	1	38	-1.0	-43.96	335.95	2.95	-41.01
CC1=CC(C)=NC(=O)N1CC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193261	0	38	-1.0	-60.53	318.66	2.24	-58.29
CC1=CC(C)=NC(=O)N1CC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193261	1	38	-1.0	-60.58	318.73	2.24	-58.34
CC1=C(Br)C=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(=O)N1	REAL300020193262	0	33	-1.0	-51.47	303.83	1.95	-49.52
CC1=C(Br)C=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(=O)N1	REAL300020193262	1	33	-1.0	-51.42	303.91	1.95	-49.47
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193263	0	38	-2.0	-82.71	329.28	0.58	-82.13
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193263	1	38	-2.0	-82.74	329.36	0.59	-82.15
CCNS(=O)(=O)C1=CC=C(CC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020193264	0	44	-1.0	-51.41	378.39	1.78	-49.63
CCNS(=O)(=O)C1=CC=C(CC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020193264	1	44	-1.0	-51.44	378.47	1.80	-49.64
O=C(C1=CC=CC(I)=C1[O-])N1CCC(C2=N[N-]N=N2)C1	REAL300020193265	0	30	-2.0	-93.76	287.32	3.79	-89.97
O=C(C1=CC=CC(I)=C1[O-])N1CCC(C2=NN=N[N-]2)C1	REAL300020193265	1	30	-2.0	-93.75	287.39	3.79	-89.96
O=C(C1=CC=CC(I)=C1O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193265	1	31	-1.0	-44.59	290.85	2.88	-41.71
O=C(C1=CC=CC(I)=C1O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193265	1	31	-1.0	-44.59	290.92	2.89	-41.70
O=C(C1=CC(Cl)=CC=C1SC1CCCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193266	0	44	-1.0	-43.67	371.06	7.88	-35.79
O=C(C1=CC(Cl)=CC=C1SC1CCCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193266	1	44	-1.0	-43.69	371.13	7.89	-35.80
CNS(=O)(=O)C1=CC=C(CC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020193267	0	41	-1.0	-51.84	357.35	0.93	-50.91
CNS(=O)(=O)C1=CC=C(CC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020193267	1	41	-1.0	-51.89	357.43	0.95	-50.94
CC(=CC1=C(Cl)C=CC=C1Cl)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193268	0	37	-1.0	-44.58	326.50	6.27	-38.31
CC(=CC1=C(Cl)C=CC=C1Cl)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193268	1	37	-1.0	-44.61	326.57	6.28	-38.33
CC1=CC(Br)=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020193269	0	33	-1.0	-43.28	292.75	4.84	-38.44
CC1=CC(Br)=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020193269	1	33	-1.0	-43.22	292.82	4.85	-38.37
CC(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=C([N+](=O)[O-])C=C1F	REAL300020193270	0	38	-1.0	-36.18	327.64	5.86	-30.32
CC(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=C([N+](=O)[O-])C=C1F	REAL300020193270	1	38	-1.0	-36.20	327.71	5.87	-30.33
O=C(C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193271	0	40	-1.0	-50.25	332.27	6.31	-43.94
O=C(C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193271	1	40	-1.0	-50.29	332.20	6.30	-43.99
CC(CC(=O)C1=CC=C(Cl)C=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193272	0	41	-1.0	-41.27	353.12	6.34	-34.93
CC(CC(=O)C1=CC=C(Cl)C=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193272	1	41	-1.0	-41.27	353.19	6.35	-34.92
COC1=CC=C(C2(C(=O)N3CCC(C4=N[N-]N=N4)C3)CCC2)C=C1OC	REAL300020193273	0	48	-1.0	-48.16	373.17	5.12	-43.04
COC1=CC=C(C2(C(=O)N3CCC(C4=NN=N[N-]4)C3)CCC2)C=C1OC	REAL300020193273	1	48	-1.0	-48.11	373.24	5.14	-42.97
O=C(CC1=CC(Cl)=CC2=C1OCC2)N1CCC(C2=N[N-]N=N2)C1	REAL300020193274	0	38	-1.0	-46.23	333.27	5.12	-41.11
O=C(CC1=CC(Cl)=CC2=C1OCC2)N1CCC(C2=NN=N[N-]2)C1	REAL300020193274	1	38	-1.0	-46.26	333.34	5.13	-41.13
CCCCSC1=CC=C(Cl)C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193275	0	43	-1.0	-43.81	373.17	7.62	-36.19
CCCCSC1=CC=C(Cl)C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193275	1	43	-1.0	-43.76	373.24	7.64	-36.12
CCC(CC)(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=C(OC)C(OC)=C1	REAL300020193276	0	53	-1.0	-48.21	389.56	5.22	-42.99
CCC(CC)(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=C(OC)C(OC)=C1	REAL300020193276	1	53	-1.0	-48.24	389.63	5.23	-43.01
CC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(SC2=CC=C(Cl)C=C2)=C1	REAL300020193277	0	44	-1.0	-44.62	390.03	8.93	-35.69
CC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(SC2=CC=C(Cl)C=C2)=C1	REAL300020193277	1	44	-1.0	-44.67	390.10	8.94	-35.73
COC1=CC=C(C(=O)CC(C)(C)CC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020193278	0	51	-1.0	-51.88	395.53	6.53	-45.35
COC1=CC=C(C(=O)CC(C)(C)CC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020193278	1	51	-1.0	-51.92	395.61	6.54	-45.38
O=C(C1=COC(C2CCOCC2)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193279	0	40	-1.0	-41.72	328.82	0.86	-40.86
O=C(C1=COC(C2CCOCC2)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193279	1	40	-1.0	-41.67	328.89	0.87	-40.80
CN(C)S(=O)(=O)C1=CC=C([O-])C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020193280	0	41	-2.0	-98.40	356.84	0.63	-97.77
CN(C)S(=O)(=O)C1=CC=C([O-])C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020193280	1	41	-2.0	-98.34	356.91	0.63	-97.71
CN(C)S(=O)(=O)C1=CC=C(O)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020193280	1	42	-1.0	-48.28	359.58	-0.24	-48.52
CN(C)S(=O)(=O)C1=CC=C(O)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020193280	1	42	-1.0	-48.28	359.66	-0.24	-48.52
CNC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=CC=C1[N+](=O)[O-]	REAL300020193281	0	37	-1.0	-44.90	312.23	3.66	-41.24
CNC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=CC=C1[N+](=O)[O-]	REAL300020193281	1	37	-1.0	-44.89	312.31	3.67	-41.22
O=C(C1=CC=C(OC2CCCC2)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193282	0	43	-1.0	-42.72	343.12	3.45	-39.27
O=C(C1=CC=C(OC2CCCC2)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193282	1	43	-1.0	-42.71	343.05	3.45	-39.26
O=C(C1=CC(Cl)=CC=C1SC1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193283	0	41	-1.0	-43.46	367.49	8.21	-35.25
O=C(C1=CC(Cl)=CC=C1SC1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193283	1	41	-1.0	-43.44	367.56	8.22	-35.22
CC1=CC=C(SC2=CC=C(Cl)C=C2)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020193284	0	44	-1.0	-44.26	390.50	8.96	-35.30
CC1=CC=C(SC2=CC=C(Cl)C=C2)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020193284	1	44	-1.0	-44.27	390.57	8.96	-35.31
CC(C)(C)OC(=O)NCC1(C(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020193285	0	47	-1.0	-44.31	374.44	2.70	-41.61
CC(C)(C)OC(=O)NCC1(C(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020193285	1	47	-1.0	-44.30	374.51	2.70	-41.60
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)N=C(C2=CC=C(Cl)C(Cl)=C2)O1	REAL300020193286	0	39	-1.0	-39.77	363.05	4.91	-34.86
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)N=C(C2=CC=C(Cl)C(Cl)=C2)O1	REAL300020193286	1	39	-1.0	-39.75	362.97	4.90	-34.85
O=C(C1=CC=CC(F)=C1SC1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193287	0	41	-1.0	-49.52	358.05	7.81	-41.71
O=C(C1=CC=CC(F)=C1SC1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193287	1	41	-1.0	-49.52	358.13	7.81	-41.71
CC(C)(C)OC(=O)N1CCCCC1(C)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193288	0	53	-1.0	-48.85	375.64	5.92	-42.93
CC(C)(C)OC(=O)N1CCCCC1(C)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193288	1	53	-1.0	-48.81	375.72	5.93	-42.88
O=C(C1=C(C2CCCC2)N=CS1)N1CCC(C2=N[N-]N=N2)C1	REAL300020193289	0	39	-1.0	-42.16	318.71	4.16	-38.00
O=C(C1=C(C2CCCC2)N=CS1)N1CCC(C2=NN=N[N-]2)C1	REAL300020193289	1	39	-1.0	-42.22	318.78	4.17	-38.05
COC1=CC=C(C(=O)CCCCC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020193290	0	48	-1.0	-47.02	394.64	6.29	-40.73
COC1=CC=C(C(=O)CCCCC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020193290	1	48	-1.0	-47.05	394.71	6.29	-40.76
CC1=NC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C(C2=CC=CC=C2)O1	REAL300020193291	0	39	-1.0	-44.15	330.49	3.76	-40.39
CC1=NC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C(C2=CC=CC=C2)O1	REAL300020193291	1	39	-1.0	-44.12	330.57	3.77	-40.35
COC1=CC=C(C(=O)C2=CC=CC=C2C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020193292	0	46	-1.0	-52.07	384.99	6.44	-45.63
COC1=CC=C(C(=O)C2=CC=CC=C2C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020193292	1	46	-1.0	-52.06	385.07	6.46	-45.60
CC(C)S(=O)(=O)C1=CC=C(CC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020193293	0	45	-1.0	-53.19	380.27	3.78	-49.41
CC(C)S(=O)(=O)C1=CC=C(CC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020193293	1	45	-1.0	-53.18	380.35	3.79	-49.39
CC1=CC(Cl)=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1C	REAL300020193294	0	36	-1.0	-43.73	306.78	5.41	-38.32
CC1=CC(Cl)=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1C	REAL300020193294	1	36	-1.0	-43.73	306.85	5.41	-38.32
CC1=CC=C(F)C=C1C(=O)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020193295	0	35	-1.0	-39.90	295.79	4.59	-35.31
CC1=CC=C(F)C=C1C(=O)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020193295	1	35	-1.0	-39.86	295.86	4.60	-35.26
CC(C)C1CC(CC(=O)N2CCC(C3=N[N-]N=N3)C2)CCO1	REAL300020193296	0	46	-1.0	-42.22	344.05	4.54	-37.68
CC(C)C1CC(CC(=O)N2CCC(C3=NN=N[N-]3)C2)CCO1	REAL300020193296	1	46	-1.0	-42.26	344.12	4.55	-37.71
CC1=C(C(=O)NCC(=O)N2CCC(C3=N[N-]N=N3)C2)C=CO1	REAL300020193297	0	37	-1.0	-43.51	316.75	1.32	-42.19
CC1=C(C(=O)NCC(=O)N2CCC(C3=NN=N[N-]3)C2)C=CO1	REAL300020193297	1	37	-1.0	-43.53	316.83	1.34	-42.19
O=C(CSC1=NN=C2C=CC=CN21)N1CCC(C2=NN=N[N-]2)C1	REAL300020193298	0	36	-1.0	-49.34	324.62	5.77	-43.57
O=C(CSC1=NN=C2C=CC=CN21)N1CCC(C2=N[N-]N=N2)C1	REAL300020193298	1	36	-1.0	-49.31	324.55	5.76	-43.55
O=C(C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])N1CCC(C2=N[N-]N=N2)C1	REAL300020193299	0	40	-2.0	-111.70	353.66	4.71	-106.99
O=C(C1=NN(C2=CC=CC=C2C(F)(F)F)C=C1[O-])N1CCC(C2=NN=N[N-]2)C1	REAL300020193299	1	40	-2.0	-111.70	353.73	4.72	-106.98
CC1=CC=C(C2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)S2)O1	REAL300020193300	0	37	-1.0	-42.88	326.83	5.46	-37.42
CC1=CC=C(C2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)S2)O1	REAL300020193300	1	37	-1.0	-42.92	326.91	5.48	-37.44
NS(=O)(=O)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1Cl	REAL300020194529	0	35	-1.0	-45.49	317.30	-0.95	-46.44
NS(=O)(=O)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020194529	1	35	-1.0	-45.50	317.38	-0.94	-46.44
O=C(C=CC1=CC=C(C(F)(F)F)C(O)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194530	0	38	-1.0	-45.45	338.30	3.47	-41.98
O=C(C=CC1=CC=C(C(F)(F)F)C(O)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194530	1	38	-1.0	-45.45	338.37	3.48	-41.97
C[N@@H+]1C[C@H](C(=O)N2CCC(C3=N[N-]N=N3)C2)[C@@H](C2=CC=CC=C2)C1	REAL300020194531	0	46	0.0	-74.51	355.23	6.51	-68.00
C[N@H+]1C[C@H](C(=O)N2CCC(C3=N[N-]N=N3)C2)[C@@H](C2=CC=CC=C2)C1	REAL300020194531	1	46	0.0	-67.57	354.72	6.59	-60.98
C[N@@H+]1C[C@H](C(=O)N2CCC(C3=NN=N[N-]3)C2)[C@@H](C2=CC=CC=C2)C1	REAL300020194531	1	46	0.0	-74.56	355.30	6.52	-68.04
C[N@H+]1C[C@H](C(=O)N2CCC(C3=NN=N[N-]3)C2)[C@@H](C2=CC=CC=C2)C1	REAL300020194531	1	46	0.0	-67.61	354.79	6.60	-61.01
CC(C)[NH+]1CCN(CCC(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020194532	0	50	0.0	-64.93	371.65	3.67	-61.26
CC(C)[NH+]1CCN(CCC(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020194532	1	50	0.0	-64.95	371.73	3.68	-61.27
CCOC(CN1C=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=N1)OCC	REAL300020194533	0	47	-1.0	-45.15	379.03	3.27	-41.88
CCOC(CN1C=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=N1)OCC	REAL300020194533	1	47	-1.0	-45.18	378.95	3.26	-41.92
CCC1(CN2C=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)N=N2)COC1	REAL300020194534	0	43	-1.0	-45.20	346.89	2.08	-43.12
CCC1(CN2C=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)N=N2)COC1	REAL300020194534	1	43	-1.0	-45.19	346.82	2.06	-43.13
CC(C)[NH+]1CCN(CCCC(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020194535	0	53	0.0	-63.44	393.14	4.49	-58.95
CC(C)[NH+]1CCN(CCCC(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020194535	1	53	0.0	-63.43	393.21	4.50	-58.93
O=C(C1=CN=CC(C(F)(F)F)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194536	0	31	-1.0	-38.95	284.33	1.85	-37.10
O=C(C1=CN=CC(C(F)(F)F)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194536	1	31	-1.0	-38.94	284.26	1.85	-37.09
O=C(C1=CN(CC2=CC=C(Cl)C=C2Cl)N=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194537	0	39	-1.0	-43.66	366.65	5.30	-38.36
O=C(C1=CN(CC2=CC=C(Cl)C=C2Cl)N=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194537	1	39	-1.0	-43.72	366.57	5.30	-38.42
CC(C)(C)OC(=O)N1CCC1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194538	0	44	-1.0	-55.76	351.34	4.18	-51.58
CC(C)(C)OC(=O)N1CCC1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194538	1	44	-1.0	-55.69	351.42	4.19	-51.50
CNC1=NC=NC2=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=CC=C21	REAL300020194539	0	39	-1.0	-45.11	319.98	3.76	-41.35
CNC1=NC=NC2=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=CC=C21	REAL300020194539	1	39	-1.0	-45.09	319.91	3.74	-41.35
O=C(C1=CC(F)=CC(N2CCOCC2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194540	0	43	-1.0	-41.89	340.43	2.45	-39.44
O=C(C1=CC(F)=CC(N2CCOCC2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194540	1	43	-1.0	-41.91	340.50	2.45	-39.46
CN1N=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1Br	REAL300020194541	0	30	-1.0	-42.24	279.05	2.43	-39.81
CN1N=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1Br	REAL300020194541	1	30	-1.0	-42.20	278.98	2.41	-39.79
COC1=CC(Cl)=C(F)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020194542	0	34	-1.0	-44.02	305.47	3.57	-40.45
COC1=CC(Cl)=C(F)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020194542	1	34	-1.0	-44.01	305.53	3.59	-40.42
CC1=NN(C2=CC=CC(F)=C2)C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194543	0	40	-1.0	-44.28	335.47	5.47	-38.81
CC1=NN(C2=CC=CC(F)=C2)C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194543	1	40	-1.0	-44.29	335.54	5.49	-38.80
CCSC1=CC=CN=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194544	0	36	-1.0	-46.44	306.03	4.57	-41.87
CCSC1=CC=CN=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194544	1	36	-1.0	-46.45	305.96	4.57	-41.88
C[C@H](C(=O)N1CCC(C2=N[N-]N=N2)C1)N1C(=O)C2=CC=CC=C2C1=O	REAL300020194545	0	40	-1.0	-51.95	337.40	5.35	-46.60
C[C@H](C(=O)N1CCC(C2=NN=N[N-]2)C1)N1C(=O)C2=CC=CC=C2C1=O	REAL300020194545	1	40	-1.0	-51.96	337.48	5.36	-46.60
CC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C2=CC=CC=C12	REAL300020194546	0	39	-1.0	-46.15	315.43	6.49	-39.66
CC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C2=CC=CC=C12	REAL300020194546	1	39	-1.0	-46.18	315.51	6.49	-39.69
CC(CC1=CC=C(OC(F)(F)F)C=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194547	0	43	-1.0	-36.49	363.27	5.68	-30.81
CC(CC1=CC=C(OC(F)(F)F)C=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194547	1	43	-1.0	-36.51	363.35	5.69	-30.82
O=C(C1CC1(F)C1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194548	0	37	-1.0	-41.89	312.82	5.93	-35.96
O=C(C1CC1(F)C1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194548	1	37	-1.0	-41.89	312.90	5.94	-35.95
O=C(C1=C(Br)N=C2CCCN21)N1CCC(C2=N[N-]N=N2)C1	REAL300020194549	0	34	-1.0	-45.00	307.66	3.96	-41.04
O=C(C1=C(Br)N=C2CCCN21)N1CCC(C2=NN=N[N-]2)C1	REAL300020194549	1	34	-1.0	-45.00	307.73	3.98	-41.02
CN1C=C(C2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)O2)C=N1	REAL300020194550	0	37	-1.0	-44.60	322.04	3.70	-40.90
CN1C=C(C2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)O2)C=N1	REAL300020194550	1	37	-1.0	-44.59	321.97	3.68	-40.91
O=C(C1CCC2=NN=C(C3=CC=CC=C3)N2C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194551	0	46	-1.0	-47.32	367.61	7.13	-40.19
O=C(C1CCC2=NN=C(C3=CC=CC=C3)N2C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194551	1	46	-1.0	-47.34	367.68	7.14	-40.20
O=C(CC1=CC2=CC(Cl)=CC=C2N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194552	0	37	-1.0	-46.94	329.41	5.18	-41.76
O=C(CC1=CC2=CC(Cl)=CC=C2N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194552	1	37	-1.0	-46.97	329.48	5.19	-41.78
CC1=CC=CC(C2=NN=C3CCC(C(=O)N4CCC(C5=N[N-]N=N5)C4)CN32)=C1	REAL300020194553	0	49	-1.0	-41.70	390.12	7.84	-33.86
CC1=CC=CC(C2=NN=C3CCC(C(=O)N4CCC(C5=NN=N[N-]5)C4)CN32)=C1	REAL300020194553	1	49	-1.0	-41.70	390.19	7.86	-33.84
N#CC1=C(Br)C=CC=C1OCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194554	0	35	-1.0	-57.25	329.56	5.60	-51.65
N#CC1=C(Br)C=CC=C1OCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194554	1	35	-1.0	-57.28	329.63	5.60	-51.68
CN1N=C(C2=CC=CC=C2)C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194555	0	40	-1.0	-42.27	329.90	5.03	-37.24
CN1N=C(C2=CC=CC=C2)C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194555	1	40	-1.0	-42.26	329.83	5.02	-37.24
CC(C)(C)OC(=O)NCCCN1C=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)N=N1	REAL300020194556	0	52	-1.0	-47.25	423.65	1.93	-45.32
CC(C)(C)OC(=O)NCCCN1C=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)N=N1	REAL300020194556	1	52	-1.0	-47.29	423.57	1.91	-45.38
CC(C)(C)OC(=O)NC(CC1CCCCC1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194557	0	59	-1.0	-49.89	435.53	6.25	-43.64
CC(C)(C)OC(=O)NC(CC1CCCCC1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194557	1	59	-1.0	-49.94	435.61	6.25	-43.69
CC1=CC(N(C)C)=CC(C)=C1CC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194558	0	47	-1.0	-45.82	365.95	6.20	-39.62
CC1=CC(N(C)C)=CC(C)=C1CC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194558	1	47	-1.0	-45.87	366.03	6.22	-39.65
C[NH+](C)CCN1C=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=N1	REAL300020194559	0	42	0.0	-72.91	334.47	3.57	-69.34
C[NH+](C)CCN1C=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=N1	REAL300020194559	1	42	0.0	-72.92	334.39	3.55	-69.37
CC1=CC(C(F)(F)F)=CC=C1C=CC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194560	0	40	-1.0	-43.32	346.11	6.76	-36.56
CC1=CC(C(F)(F)F)=CC=C1C=CC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194560	1	40	-1.0	-43.31	346.18	6.77	-36.54
CCC(O)(CC(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020194561	0	43	-1.0	-42.37	338.03	4.43	-37.94
CCC(O)(CC(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020194561	1	43	-1.0	-42.37	338.10	4.44	-37.93
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)NC2=C(Cl)C=CC=C12	REAL300020194562	0	37	-1.0	-41.28	318.68	5.28	-36.00
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)NC2=C(Cl)C=CC=C12	REAL300020194562	1	37	-1.0	-41.28	318.76	5.29	-35.99
CN1N=CC(Br)=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194563	0	30	-1.0	-39.50	282.99	2.30	-37.20
CN1N=CC(Br)=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194563	1	30	-1.0	-39.56	282.92	2.28	-37.28
CC1=CC=CC(CS(=O)(=O)CCC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020194564	0	45	-1.0	-49.40	387.14	3.92	-45.48
CC1=CC=CC(CS(=O)(=O)CCC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020194564	1	45	-1.0	-49.40	387.21	3.94	-45.46
CC1=CC=C(S(=O)(=O)N[C@H](C(=O)N2CCC(C3=N[N-]N=N3)C2)C(C)C)C=C1	REAL300020194565	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	REAL300020194565	1	50	-1.0	-45.14	409.31	3.07	-42.07
O=C(C1=C(C2=CC=CC=C2)C=CN1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194566	0	38	-1.0	-46.85	313.46	5.60	-41.25
O=C(C1=C(C2=CC=CC=C2)C=CN1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194566	1	38	-1.0	-46.86	313.53	5.61	-41.25
O=C([C@@H]1C[C@H]1C1=CC=C(Cl)C(Cl)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194567	0	37	-1.0	-44.87	340.04	7.06	-37.81
O=C([C@@H]1C[C@H]1C1=CC=C(Cl)C(Cl)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194567	1	37	-1.0	-44.89	340.11	7.06	-37.83
O=C(C1CC(=O)N(CCC2=CC=C(F)C=C2)C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194568	0	47	-1.0	-45.87	388.53	6.33	-39.54
O=C(C1CC(=O)N(CCC2=CC=C(F)C=C2)C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194568	1	47	-1.0	-45.86	388.60	6.34	-39.52
O=C(CC1CSC2=CC=CC=C2O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194569	0	39	-1.0	-48.98	333.43	6.11	-42.87
O=C(CC1CSC2=CC=CC=C2O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194569	1	39	-1.0	-48.97	333.50	6.12	-42.85
O=C(C1=CC=CC(CC2=CC=CC=C2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194570	0	43	-1.0	-44.78	352.84	8.01	-36.77
O=C(C1=CC=CC(CC2=CC=CC=C2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194570	1	43	-1.0	-44.76	352.92	8.02	-36.74
O=C(C1=CC=CC(C[NH+]2CCCCC2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194571	0	49	0.0	-75.16	369.96	7.31	-67.85
O=C(C1=CC=CC(C[NH+]2CCCCC2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194571	1	49	0.0	-75.20	370.04	7.33	-67.87
CC(C)OC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1[N+](=O)[O-]	REAL300020194572	0	42	-1.0	-43.72	347.01	5.92	-37.80
CC(C)OC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1[N+](=O)[O-]	REAL300020194572	1	42	-1.0	-43.70	347.08	5.93	-37.77
CC1=CC=CC=C1N1C=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)N=N1	REAL300020194573	0	39	-1.0	-42.97	325.89	4.63	-38.34
CC1=CC=CC=C1N1C=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)N=N1	REAL300020194573	1	39	-1.0	-42.97	325.82	4.63	-38.34
CCOC1=CC=C(CC(C)C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020194574	0	46	-1.0	-37.70	368.63	6.11	-31.59
CCOC1=CC=C(CC(C)C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020194574	1	46	-1.0	-37.72	368.71	6.13	-31.59
O=C([C@@H]1C[C@H]1C1=CC=C([N+](=O)[O-])C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194575	0	39	-1.0	-46.26	336.23	6.76	-39.50
O=C([C@@H]1C[C@H]1C1=CC=C([N+](=O)[O-])C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194575	1	39	-1.0	-46.19	336.30	6.76	-39.43
CC1(C)CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)C2=CC=CC=C2O1	REAL300020194576	0	44	-1.0	-45.38	345.83	5.50	-39.88
CC1(C)CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)C2=CC=CC=C2O1	REAL300020194576	1	44	-1.0	-45.40	345.91	5.50	-39.90
CN1N=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C2=C1CCCC2	REAL300020194577	0	40	-1.0	-46.93	319.30	4.35	-42.58
CN1N=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C2=C1CCCC2	REAL300020194577	1	40	-1.0	-46.96	319.37	4.36	-42.60
CCC(CC)OC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020194578	0	46	-1.0	-43.46	356.36	5.85	-37.61
CCC(CC)OC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020194578	1	46	-1.0	-43.48	356.43	5.87	-37.61
O=C(CC1=CC=CC=C1OC1CCOC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194579	0	45	-1.0	-48.83	364.87	4.48	-44.35
O=C(CC1=CC=CC=C1OC1CCOC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194579	1	45	-1.0	-48.85	364.94	4.48	-44.37
COC1=CC(C(F)(F)F)=CC=C1C=CC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194580	0	41	-1.0	-45.93	356.90	5.61	-40.32
COC1=CC(C(F)(F)F)=CC=C1C=CC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194580	1	41	-1.0	-45.93	356.97	5.62	-40.31
O=C(CC1=CC=CC=C1S(=O)(=O)C(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020194581	0	39	-1.0	-51.28	339.41	3.17	-48.11
O=C(CC1=CC=CC=C1S(=O)(=O)C(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020194581	1	39	-1.0	-51.28	339.49	3.17	-48.11
N#CC1=CC=CC([C@@H]2C[C@H]2C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020194582	0	38	-1.0	-48.51	328.95	6.45	-42.06
N#CC1=CC=CC([C@@H]2C[C@H]2C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020194582	1	38	-1.0	-48.50	329.02	6.47	-42.03
CS(=O)(=O)C1=CC=CN=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194583	0	35	-1.0	-48.22	297.71	1.36	-46.86
CS(=O)(=O)C1=CC=CN=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194583	1	35	-1.0	-48.18	297.64	1.35	-46.83
O=C(C1=CSC(C2CCCCC2)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194584	0	42	-1.0	-41.91	344.65	5.36	-36.55
O=C(C1=CSC(C2CCCCC2)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194584	1	42	-1.0	-41.92	344.72	5.38	-36.54
O=C([C@@H]1C[C@H]1C1=CC=C(Cl)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194585	0	37	-1.0	-43.00	324.69	6.60	-36.40
O=C([C@@H]1C[C@H]1C1=CC=C(Cl)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194585	1	37	-1.0	-42.99	324.77	6.61	-36.38
COC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194586	0	41	-1.0	-47.06	336.39	5.43	-41.63
COC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194586	1	41	-1.0	-47.05	336.46	5.44	-41.61
CCC1=CC=CC=C1N1C=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)N=N1	REAL300020194587	0	42	-1.0	-42.89	344.75	5.40	-37.49
CCC1=CC=CC=C1N1C=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)N=N1	REAL300020194587	1	42	-1.0	-42.92	344.68	5.39	-37.53
O=C(C(O)C1=CC=CC([N+](=O)[O-])=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194588	0	36	-1.0	-44.40	308.10	3.06	-41.34
O=C(C(O)C1=CC=CC([N+](=O)[O-])=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194588	1	36	-1.0	-44.36	308.17	3.07	-41.29
O=C(C1=CN(C2=CC=CN=C2)N=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194589	0	35	-1.0	-43.31	305.29	2.13	-41.18
O=C(C1=CN(C2=CC=CN=C2)N=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194589	1	35	-1.0	-43.26	305.22	2.12	-41.14
CN1C=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(C2CCC2)=N1	REAL300020194590	0	40	-1.0	-46.97	320.59	4.07	-42.90
CN1C=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(C2CCC2)=N1	REAL300020194590	1	40	-1.0	-47.02	320.66	4.08	-42.94
O=C(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=C(Br)S1	REAL300020194591	0	29	-1.0	-37.07	286.85	3.65	-33.42
O=C(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=C(Br)S1	REAL300020194591	1	29	-1.0	-37.10	286.92	3.66	-33.44
O=C(N1CCC(C2=N[N-]N=N2)C1)C(F)(F)C1=CC(Cl)=CC=C1Cl	REAL300020194592	0	33	-1.0	-38.92	315.56	5.50	-33.42
O=C(N1CCC(C2=NN=N[N-]2)C1)C(F)(F)C1=CC(Cl)=CC=C1Cl	REAL300020194592	1	33	-1.0	-38.97	315.63	5.50	-33.47
CCC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)N=NN1CC1=CC=CC=C1	REAL300020194593	0	45	-1.0	-43.59	369.39	5.47	-38.12
CCC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)N=NN1CC1=CC=CC=C1	REAL300020194593	1	45	-1.0	-43.58	369.46	5.49	-38.09
COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194594	0	49	-1.0	-46.98	389.97	3.49	-43.49
COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194594	1	49	-1.0	-47.01	390.05	3.50	-43.51
O=C(C1=COC(C2=C(F)C=CC=C2F)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194595	0	36	-1.0	-45.65	322.21	3.54	-42.11
O=C(C1=COC(C2=C(F)C=CC=C2F)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194595	1	36	-1.0	-45.62	322.13	3.52	-42.10
O=C(C1=CC(=O)C2=CC=C(Cl)C=C2O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194596	0	35	-1.0	-40.12	319.12	4.77	-35.35
O=C(C1=CC(=O)C2=CC=C(Cl)C=C2O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194596	1	35	-1.0	-40.11	319.20	4.79	-35.32
CC(C)(C)OC(=O)NC(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1CCC1	REAL300020194597	0	50	-1.0	-40.32	379.48	3.14	-37.18
CC(C)(C)OC(=O)NC(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1CCC1	REAL300020194597	1	50	-1.0	-40.26	379.55	3.15	-37.11
CC(C)=CCOC1=CC=CC(CC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020194598	0	47	-1.0	-46.55	384.42	7.02	-39.53
CC(C)=CCOC1=CC=CC(CC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020194598	1	47	-1.0	-46.58	384.49	7.03	-39.55
O=C(C1=NN(C2=CC=CC=C2F)C2=C1CCCC2)N1CCC(C2=N[N-]N=N2)C1	REAL300020194599	0	47	-1.0	-50.23	381.52	7.78	-42.45
O=C(C1=NN(C2=CC=CC=C2F)C2=C1CCCC2)N1CCC(C2=NN=N[N-]2)C1	REAL300020194599	1	47	-1.0	-50.20	381.59	7.78	-42.42
O=C(C1=CC=C(S(=O)(=O)C2CCC2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194600	0	43	-1.0	-48.53	358.22	3.41	-45.12
O=C(C1=CC=C(S(=O)(=O)C2CCC2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194600	1	43	-1.0	-48.53	358.29	3.43	-45.10
O=C(C1=C(C(F)(F)F)N=C2C=CC=CN21)N1CCC(C2=NN=N[N-]2)C1	REAL300020194601	0	36	-1.0	-48.03	325.59	5.15	-42.88
O=C(C1=C(C(F)(F)F)N=C2C=CC=CN21)N1CCC(C2=N[N-]N=N2)C1	REAL300020194601	1	36	-1.0	-48.07	325.52	5.14	-42.93
O=C(C1=CC=CC=C1S(=O)(=O)C(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020194602	0	36	-1.0	-48.69	315.03	3.51	-45.18
O=C(C1=CC=CC=C1S(=O)(=O)C(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020194602	1	36	-1.0	-48.69	315.10	3.53	-45.16
O=C([C@@H]1COCC[C@@H]1C1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194603	0	44	-1.0	-46.58	338.62	6.26	-40.32
O=C([C@@H]1COCC[C@@H]1C1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194603	1	44	-1.0	-46.58	338.70	6.27	-40.31
COC1=CC=C(Br)C=C1C1(C(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020194604	0	41	-1.0	-43.54	353.92	5.99	-37.55
COC1=CC=C(Br)C=C1C1(C(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020194604	1	41	-1.0	-43.54	354.00	5.99	-37.55
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(C(F)(F)F)CCCC1	REAL300020194605	0	36	-1.0	-43.41	278.09	3.61	-39.80
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(C(F)(F)F)CCCC1	REAL300020194605	1	36	-1.0	-43.42	278.17	3.62	-39.80
COC1=CC=C2ON=C(CC(=O)N3CCC(C4=N[N-]N=N4)C3)C2=C1	REAL300020194606	0	39	-1.0	-51.23	333.63	3.37	-47.86
COC1=CC=C2ON=C(CC(=O)N3CCC(C4=NN=N[N-]4)C3)C2=C1	REAL300020194606	1	39	-1.0	-51.25	333.71	3.38	-47.87
O=C(CC1=NOC2=CC=C(F)C=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020194607	0	35	-1.0	-49.25	310.58	4.15	-45.10
O=C(CC1=NOC2=CC=C(F)C=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020194607	1	35	-1.0	-49.29	310.66	4.16	-45.13
COC1CCCCN(CC(=O)N2CCC(C3=N[N-]N=N3)C2)C1=O	REAL300020194608	0	44	-1.0	-54.55	345.06	3.84	-50.71
COC1CCCCN(CC(=O)N2CCC(C3=NN=N[N-]3)C2)C1=O	REAL300020194608	1	44	-1.0	-54.53	345.13	3.85	-50.68
CC(C)(C)OC(=O)NC(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CSC=N1	REAL300020194609	0	46	-1.0	-42.67	382.56	2.18	-40.49
CC(C)(C)OC(=O)NC(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CSC=N1	REAL300020194609	1	46	-1.0	-42.68	382.63	2.19	-40.49
CC(C)C(C(=O)N1CCC(C2=N[N-]N=N2)C1)C(C)NC(=O)OC(C)(C)C	REAL300020194610	0	55	-1.0	-46.60	393.06	4.53	-42.07
CC(C)C(C(=O)N1CCC(C2=NN=N[N-]2)C1)C(C)NC(=O)OC(C)(C)C	REAL300020194610	1	55	-1.0	-46.60	393.14	4.54	-42.06
CC(C)(C)OC(=O)N1CC(C)(C(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020194611	0	47	-1.0	-43.34	369.11	3.48	-39.86
CC(C)(C)OC(=O)N1CC(C)(C(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020194611	1	47	-1.0	-43.30	369.19	3.50	-39.80
CC(C)(C)OC(=O)NCC1(CC(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020194612	0	50	-1.0	-49.17	396.69	3.64	-45.53
CC(C)(C)OC(=O)NCC1(CC(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020194612	1	50	-1.0	-49.19	396.77	3.64	-45.55
CC(NC(=O)OC(C)(C)C)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020194613	0	53	-1.0	-46.60	415.42	4.88	-41.72
CC(NC(=O)OC(C)(C)C)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020194613	1	53	-1.0	-46.63	415.49	4.89	-41.74
O=C(C1=NN(C2=CC=CC(F)=C2)C2=C1CCCC2)N1CCC(C2=N[N-]N=N2)C1	REAL300020194614	0	47	-1.0	-44.59	381.45	7.70	-36.89
O=C(C1=NN(C2=CC=CC(F)=C2)C2=C1CCCC2)N1CCC(C2=NN=N[N-]2)C1	REAL300020194614	1	47	-1.0	-44.62	381.52	7.70	-36.92
O=C(C1=NN(C2=CC=CC(F)=C2F)C2=C1CCC2)N1CCC(C2=N[N-]N=N2)C1	REAL300020194615	0	44	-1.0	-54.01	367.97	7.31	-46.70
O=C(C1=NN(C2=CC=CC(F)=C2F)C2=C1CCC2)N1CCC(C2=NN=N[N-]2)C1	REAL300020194615	1	44	-1.0	-53.97	368.05	7.31	-46.66
CC1=CC=C(F)C(N2N=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C3=C2CCC3)=C1	REAL300020194616	0	47	-1.0	-50.17	390.26	8.05	-42.12
CC1=CC=C(F)C(N2N=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C3=C2CCC3)=C1	REAL300020194616	1	47	-1.0	-50.19	390.33	8.06	-42.13
CC1=CC=CC(F)=C1N1N=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C2=C1CCC2	REAL300020194617	0	47	-1.0	-47.31	384.03	8.03	-39.28
CC1=CC=CC(F)=C1N1N=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C2=C1CCC2	REAL300020194617	1	47	-1.0	-47.32	384.11	8.03	-39.29
O=C(C1=NN(C2=CC=CC(F)=C2)C2=C1CCC2)N1CCC(C2=N[N-]N=N2)C1	REAL300020194618	0	44	-1.0	-48.56	366.25	7.20	-41.36
O=C(C1=NN(C2=CC=CC(F)=C2)C2=C1CCC2)N1CCC(C2=NN=N[N-]2)C1	REAL300020194618	1	44	-1.0	-48.55	366.32	7.20	-41.35
CS(=O)(=O)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020194619	0	33	-1.0	-47.48	304.96	0.34	-47.14
CS(=O)(=O)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020194619	1	33	-1.0	-47.43	305.04	0.34	-47.09
CN1N=C(CC(=O)N2CCC(C3=N[N-]N=N3)C2)C2=CC=CC=C21	REAL300020194620	0	39	-1.0	-50.05	330.68	4.63	-45.42
CN1N=C(CC(=O)N2CCC(C3=NN=N[N-]3)C2)C2=CC=CC=C21	REAL300020194620	1	39	-1.0	-50.07	330.76	4.64	-45.43
CC1=CC(C)=C([N+](=O)[O-])C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194621	0	38	-1.0	-43.22	316.31	5.50	-37.72
CC1=CC(C)=C([N+](=O)[O-])C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194621	1	38	-1.0	-43.24	316.39	5.51	-37.73
CC(C)(C)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)N=C1	REAL300020194622	0	41	-1.0	-42.17	326.21	5.04	-37.13
CC(C)(C)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)N=C1	REAL300020194622	1	41	-1.0	-42.15	326.14	5.03	-37.12
O=C(C1=CC(=O)C2=CC(Br)=CC=C2O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194623	0	35	-1.0	-41.53	323.79	4.87	-36.66
O=C(C1=CC(=O)C2=CC(Br)=CC=C2O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194623	1	35	-1.0	-41.56	323.86	4.89	-36.67
CC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1N1C=CC=N1	REAL300020194624	0	40	-1.0	-45.76	329.14	5.74	-40.02
CC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1N1C=CC=N1	REAL300020194624	1	40	-1.0	-45.73	329.07	5.74	-39.99
O=C(C1=CC=C(OCC2=CC=NC=C2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194625	0	43	-1.0	-46.83	355.96	5.08	-41.75
O=C(C1=CC=C(OCC2=CC=NC=C2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194625	1	43	-1.0	-46.81	356.03	5.10	-41.71
O=C(C1=CNN=C1C1CCOCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194626	0	41	-1.0	-46.08	324.23	1.49	-44.59
O=C(C1=CNN=C1C1CCOCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194626	1	41	-1.0	-46.10	324.30	1.51	-44.59
CC1CCC(C)(C=CC(=O)N2CCC(C3=N[N-]N=N3)C2)C1(C)C	REAL300020194627	0	49	-1.0	-42.77	359.91	6.64	-36.13
CC1CCC(C)(C=CC(=O)N2CCC(C3=NN=N[N-]3)C2)C1(C)C	REAL300020194627	1	49	-1.0	-42.76	359.99	6.64	-36.12
CC1=C(CC(=O)N2CCC(C3=N[N-]N=N3)C2)SC(SC2CCCC2)=N1	REAL300020194628	0	46	-1.0	-45.72	391.96	6.73	-38.99
CC1=C(CC(=O)N2CCC(C3=NN=N[N-]3)C2)SC(SC2CCCC2)=N1	REAL300020194628	1	46	-1.0	-45.74	392.03	6.73	-39.01
O=C(C1=CC=CC(C(F)(F)F)=C1[O-])N1CCC(C2=N[N-]N=N2)C1	REAL300020194629	0	33	-2.0	-97.59	298.25	3.56	-94.03
O=C(C1=CC=CC(C(F)(F)F)=C1[O-])N1CCC(C2=NN=N[N-]2)C1	REAL300020194629	1	33	-2.0	-97.56	298.32	3.57	-93.99
O=C(C1=CC=CC(C(F)(F)F)=C1O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194629	1	34	-1.0	-46.04	301.60	2.81	-43.23
O=C(C1=CC=CC(C(F)(F)F)=C1O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194629	1	34	-1.0	-46.01	301.67	2.82	-43.19
O=C(C1=C(C(F)(F)F)N=CN1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194630	0	30	-1.0	-47.84	266.84	2.70	-45.14
O=C(C1=C(C(F)(F)F)N=CN1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194630	1	30	-1.0	-47.85	266.92	2.71	-45.14
O=C(C1=C(C(F)(F)F)NC=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194630	1	30	-1.0	-47.05	271.41	2.96	-44.09
O=C(C1=C(C(F)(F)F)NC=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194630	1	30	-1.0	-47.08	271.49	2.97	-44.11
CC(=O)NC(=CC1=CC=CS1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194631	0	38	-1.0	-51.75	328.39	4.16	-47.59
CC(=O)NC(=CC1=CC=CS1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194631	1	38	-1.0	-51.79	328.46	4.17	-47.62
O=C(C1=CC=CC(C2=NC(=O)O[N-]2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194632	0	35	-2.0	-91.24	306.74	1.23	-90.01
O=C(C1=CC=CC(C2=NC(=O)O[N-]2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194632	1	35	-2.0	-91.27	306.81	1.24	-90.03
CN1C=CN=C1[C@@H]1[C@@H](C(=O)N2CCC(C3=N[N-]N=N3)C2)CCC(=O)N1C1CC1	REAL300020194633	0	51	-1.0	-42.87	404.47	4.79	-38.08
CN1C=CN=C1[C@@H]1[C@@H](C(=O)N2CCC(C3=NN=N[N-]3)C2)CCC(=O)N1C1CC1	REAL300020194633	1	51	-1.0	-42.86	404.54	4.79	-38.07
COC(=O)C1=CC=NC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020194634	0	35	-1.0	-47.71	304.89	3.42	-44.29
COC(=O)C1=CC=NC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020194634	1	35	-1.0	-47.69	304.82	3.40	-44.29
CNC1=CC=C(Cl)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020194635	0	35	-1.0	-44.05	303.40	3.01	-41.04
CNC1=CC=C(Cl)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020194635	1	35	-1.0	-44.04	303.48	3.02	-41.02
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(C2=C(F)C=CC=C2F)CCC1	REAL300020194636	0	40	-1.0	-44.69	320.68	5.80	-38.89
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(C2=C(F)C=CC=C2F)CCC1	REAL300020194636	1	40	-1.0	-44.69	320.76	5.81	-38.88
CCN1C=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(C2CCOCC2)=N1	REAL300020194637	0	47	-1.0	-46.69	368.68	3.68	-43.01
CCN1C=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(C2CCOCC2)=N1	REAL300020194637	1	47	-1.0	-46.74	368.75	3.69	-43.05
CCOC(=O)C(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020194638	0	42	-1.0	-49.09	347.94	6.91	-42.18
CCOC(=O)C(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020194638	1	42	-1.0	-49.12	348.02	6.91	-42.21
O=C(C1=C(C2=CC=CC=C2)N(C2CCCC2)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194639	0	50	-1.0	-45.21	389.94	7.59	-37.62
O=C(C1=C(C2=CC=CC=C2)N(C2CCCC2)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194639	1	50	-1.0	-45.21	389.86	7.57	-37.64
O=C(C1=CC=CC(S(=O)(=O)C(F)F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194640	0	36	-1.0	-46.95	323.92	1.49	-45.46
O=C(C1=CC=CC(S(=O)(=O)C(F)F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194640	1	36	-1.0	-46.96	323.99	1.50	-45.46
O=C(CC1=NSC2=CC=CC=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020194641	0	35	-1.0	-49.65	311.47	4.74	-44.91
O=C(CC1=NSC2=CC=CC=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020194641	1	35	-1.0	-49.65	311.55	4.76	-44.89
COC1=C(Br)C=CC(C)=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194642	0	37	-1.0	-43.69	332.56	4.58	-39.11
COC1=C(Br)C=CC(C)=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194642	1	37	-1.0	-43.66	332.64	4.59	-39.07
O=C(CC1=NOC2=CC=C(Br)C=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020194643	0	35	-1.0	-48.74	325.45	4.69	-44.05
O=C(CC1=NOC2=CC=C(Br)C=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020194643	1	35	-1.0	-48.76	325.53	4.70	-44.06
CC1=CC(C=CC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1C(F)(F)F	REAL300020194644	0	40	-1.0	-43.41	344.21	6.75	-36.66
CC1=CC(C=CC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1C(F)(F)F	REAL300020194644	1	40	-1.0	-43.44	344.29	6.76	-36.68
O=C(C1=CC=CC=C1C1=CNN=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194645	0	37	-1.0	-48.55	311.30	3.68	-44.87
O=C(C1=CC=CC=C1C1=CNN=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194645	1	37	-1.0	-48.57	311.37	3.68	-44.89
O=C(CCSC1=C2N=CNC2=NC=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194646	0	38	-1.0	-51.67	339.14	4.98	-46.69
O=C(CCSC1=C2N=CNC2=NC=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194646	1	38	-1.0	-51.70	339.21	5.00	-46.70
CCOCN1N=C(C)C(CC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1C	REAL300020194647	0	46	-1.0	-49.24	377.33	3.04	-46.20
CCOCN1N=C(C)C(CC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1C	REAL300020194647	1	46	-1.0	-49.28	377.40	3.06	-46.22
CC(=CC1CCC(C)CC1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194648	0	46	-1.0	-43.20	337.37	6.21	-36.99
CC(=CC1CCC(C)CC1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194648	1	46	-1.0	-43.22	337.45	6.22	-37.00
CCOCN1N=C(C)C(CC(C)C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1C	REAL300020194649	0	52	-1.0	-46.79	407.95	3.92	-42.87
CCOCN1N=C(C)C(CC(C)C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1C	REAL300020194649	1	52	-1.0	-46.78	408.02	3.93	-42.85
COC1=CC2=NC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)N2C=C1	REAL300020194650	0	37	-1.0	-45.13	305.19	3.26	-41.87
COC1=CC2=NC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)N2C=C1	REAL300020194650	1	37	-1.0	-45.10	305.12	3.26	-41.84
COC1=CC=CC(S(=O)CC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020194651	0	39	-1.0	-51.08	340.74	2.16	-48.92
COC1=CC=CC(S(=O)CC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020194651	1	39	-1.0	-51.13	340.81	2.17	-48.96
O=C(C1=CC(C2=CC3=CC=CC=C3C=C2)=NN1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194652	0	43	-1.0	-42.95	358.27	6.34	-36.61
O=C(C1=CC(C2=CC3=CC=CC=C3C=C2)=NN1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194652	1	43	-1.0	-42.94	358.34	6.36	-36.58
CC1=C(Br)C=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020194653	0	30	-1.0	-41.55	283.50	4.08	-37.47
CC1=C(Br)C=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020194653	1	30	-1.0	-41.53	283.57	4.10	-37.43
CCC(CC1=CC=CC=C1C)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194654	0	45	-1.0	-44.45	344.72	6.93	-37.52
CCC(CC1=CC=CC=C1C)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194654	1	45	-1.0	-44.45	344.80	6.95	-37.50
CC1=CC(F)=CC(N2N=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C3=C2CCC3)=C1	REAL300020194655	0	47	-1.0	-44.99	389.35	7.93	-37.06
CC1=CC(F)=CC(N2N=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C3=C2CCC3)=C1	REAL300020194655	1	47	-1.0	-44.96	389.42	7.93	-37.03
O=C(CC1=CC=C(N2C=NN=C2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194656	0	39	-1.0	-50.33	331.72	7.75	-42.58
O=C(CC1=CC=C(N2C=NN=C2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194656	1	39	-1.0	-50.31	331.64	7.75	-42.56
O=C(CCC1=CC=CC(OC(F)F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194657	0	40	-1.0	-45.26	341.38	5.16	-40.10
O=C(CCC1=CC=CC(OC(F)F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194657	1	40	-1.0	-45.31	341.45	5.17	-40.14
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C(Br)O1	REAL300020194658	0	30	-1.0	-39.88	273.09	3.21	-36.67
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C(Br)O1	REAL300020194658	1	30	-1.0	-39.90	273.16	3.23	-36.67
CC(=O)NC1=CC=CC(CC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020194659	0	40	-1.0	-54.29	337.12	3.64	-50.65
CC(=O)NC1=CC=CC(CC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020194659	1	40	-1.0	-54.30	337.19	3.66	-50.64
C=C(Cl)CSC1=NC(C)=C(CC(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020194660	0	40	-1.0	-45.55	379.84	5.72	-39.83
C=C(Cl)CSC1=NC(C)=C(CC(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020194660	1	40	-1.0	-45.61	379.91	5.72	-39.89
COC(=O)N1CC2CCC1C(C(=O)N1CCC(C3=N[N-]N=N3)C1)C2	REAL300020194661	0	45	-1.0	-54.65	344.94	4.47	-50.18
COC(=O)N1CC2CCC1C(C(=O)N1CCC(C3=NN=N[N-]3)C1)C2	REAL300020194661	1	45	-1.0	-54.65	345.01	4.48	-50.17
COC(=O)N1CC2C=CC1C(C(=O)N1CCC(C3=N[N-]N=N3)C1)C2	REAL300020194662	0	43	-1.0	-53.78	336.91	4.59	-49.19
COC(=O)N1CC2C=CC1C(C(=O)N1CCC(C3=NN=N[N-]3)C1)C2	REAL300020194662	1	43	-1.0	-53.77	336.98	4.59	-49.18
O=C([C@H]1C2CCC(CC2)[C@@H]1C(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020194663	0	43	-1.0	-40.38	329.50	5.65	-34.73
O=C([C@H]1C2CCC(CC2)[C@@H]1C(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020194663	1	43	-1.0	-40.41	329.57	5.66	-34.75
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(C2=CC=C(Cl)C=C2Cl)CCCCC1	REAL300020194664	0	46	-1.0	-39.07	359.10	8.20	-30.87
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(C2=CC=C(Cl)C=C2Cl)CCCCC1	REAL300020194664	1	46	-1.0	-39.08	359.17	8.21	-30.87
CC(C)(C)OC(=O)NC(CCCC#N)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194665	0	50	-1.0	-41.13	400.29	3.37	-37.76
CC(C)(C)OC(=O)NC(CCCC#N)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194665	1	50	-1.0	-41.11	400.37	3.39	-37.72
CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194666	0	44	-1.0	-42.73	356.76	2.53	-40.20
CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194666	1	44	-1.0	-42.74	356.84	2.54	-40.20
CC(C)(C)N1N=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1N	REAL300020194667	0	41	-1.0	-44.37	318.80	2.48	-41.89
CC(C)(C)N1N=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1N	REAL300020194667	1	41	-1.0	-44.29	318.73	2.46	-41.83
CC(C)C1=NN(C2=CC=CC=C2)C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194668	0	46	-1.0	-45.56	370.49	6.71	-38.85
CC(C)C1=NN(C2=CC=CC=C2)C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194668	1	46	-1.0	-45.54	370.56	6.71	-38.83
CC1=CC=C(C2(C(=O)N3CCC(C4=N[N-]N=N4)C3)CCC2)C=C1	REAL300020194669	0	43	-1.0	-43.79	335.42	6.58	-37.21
CC1=CC=C(C2(C(=O)N3CCC(C4=NN=N[N-]4)C3)CCC2)C=C1	REAL300020194669	1	43	-1.0	-43.79	335.49	6.60	-37.19
O=C(C1=CC=CC2=CC=CC(O)=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020194670	0	37	-1.0	-47.84	306.89	4.69	-43.15
O=C(C1=CC=CC2=CC=CC(O)=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020194670	1	37	-1.0	-47.82	306.96	4.70	-43.12
O=C(CC1=NN=C(C2=CC=CC=C2)O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194671	0	38	-1.0	-52.10	332.26	0.73	-51.37
O=C(CC1=NN=C(C2=CC=CC=C2)O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194671	1	38	-1.0	-52.12	332.34	0.74	-51.38
C[NH+](C)CCN1C=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020194672	0	42	0.0	-77.03	337.99	4.15	-72.88
C[NH+](C)CCN1C=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020194672	1	42	0.0	-77.04	337.92	4.14	-72.90
C[NH+](C)CCN1N=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194673	0	42	0.0	-55.97	330.03	3.60	-52.37
C[NH+](C)CCN1N=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194673	1	42	0.0	-55.94	329.96	3.58	-52.36
O=C(N1CCC(C2=N[N-]N=N2)C1)C(F)(F)C1=CC=CC(Cl)=C1Cl	REAL300020194674	0	33	-1.0	-41.71	314.15	5.44	-36.27
O=C(N1CCC(C2=NN=N[N-]2)C1)C(F)(F)C1=CC=CC(Cl)=C1Cl	REAL300020194674	1	33	-1.0	-41.68	314.22	5.44	-36.24
CN1C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC(=O)C2=CC=CC=C21	REAL300020194675	0	39	-1.0	-45.43	327.05	4.86	-40.57
CN1C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC(=O)C2=CC=CC=C21	REAL300020194675	1	39	-1.0	-45.42	327.12	4.86	-40.56
O=C(C1=CC=C(SC(F)(F)F)O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194676	0	31	-1.0	-40.12	298.43	3.83	-36.29
O=C(C1=CC=C(SC(F)(F)F)O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194676	1	31	-1.0	-40.13	298.50	3.85	-36.28
O=C(C1=CC=CC(O)=C1OC(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020194677	0	35	-1.0	-48.20	311.11	2.24	-45.96
O=C(C1=CC=CC(O)=C1OC(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020194677	1	35	-1.0	-48.17	311.18	2.25	-45.92
O=C(C1=CN=C(I)C([O-])=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194678	0	29	-2.0	-78.15	279.32	0.69	-77.46
O=C(C1=CN=C(I)C([O-])=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194678	1	29	-2.0	-78.16	279.40	0.70	-77.46
O=C(C1=CN=C(I)C(O)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194678	1	30	-1.0	-41.73	282.89	-0.08	-41.81
O=C(C1=CN=C(I)C(O)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194678	1	30	-1.0	-41.77	282.96	-0.06	-41.83
CC(C)(C)OC(=O)CC1(C(=O)N2CCC(C3=N[N-]N=N3)C2)CCC1	REAL300020194679	0	48	-1.0	-50.60	364.24	6.41	-44.19
CC(C)(C)OC(=O)CC1(C(=O)N2CCC(C3=NN=N[N-]3)C2)CCC1	REAL300020194679	1	48	-1.0	-50.54	364.31	6.42	-44.12
CC(C)(C)OC(=O)N1[C@H](CCC(=O)N2CCC(C3=N[N-]N=N3)C2)COC1(C)C	REAL300020194680	0	57	-1.0	-51.01	435.27	4.36	-46.65
CC(C)(C)OC(=O)N1[C@H](CCC(=O)N2CCC(C3=NN=N[N-]3)C2)COC1(C)C	REAL300020194680	1	57	-1.0	-51.02	435.34	4.37	-46.65
CC(CC(=O)N1CCC(C2=NN=N[N-]2)C1)N1C=C(Br)C=N1	REAL300020194681	0	36	-1.0	-41.71	319.46	3.83	-37.88
CC(CC(=O)N1CCC(C2=N[N-]N=N2)C1)N1C=C(Br)C=N1	REAL300020194681	1	36	-1.0	-41.72	319.39	3.81	-37.91
CN1N=C2C=C(Br)C=CC2=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194682	0	36	-1.0	-39.63	329.20	4.48	-35.15
CN1N=C2C=C(Br)C=CC2=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194682	1	36	-1.0	-39.63	329.13	4.46	-35.17
O=C(C1=CSC2=CC(Cl)=CN=C12)N1CCC(C2=NN=N[N-]2)C1	REAL300020194683	0	32	-1.0	-49.60	298.79	3.79	-45.81
O=C(C1=CSC2=CC(Cl)=CN=C12)N1CCC(C2=N[N-]N=N2)C1	REAL300020194683	1	32	-1.0	-49.57	298.71	3.77	-45.80
CC(C)(C)OC(=O)N1CC2=CC=CC=C2C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020194684	0	54	-1.0	-53.10	422.42	7.03	-46.07
CC(C)(C)OC(=O)N1CC2=CC=CC=C2C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020194684	1	54	-1.0	-53.10	422.50	7.04	-46.06
CC(C)(C)OC(=O)N1CCCC(C(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020194685	0	53	-1.0	-42.04	399.25	5.94	-36.10
CC(C)(C)OC(=O)N1CCCC(C(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020194685	1	53	-1.0	-42.08	399.33	5.94	-36.14
O=C(C1=CC(Br)=CC=C1OC(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020194686	0	34	-1.0	-43.19	313.87	4.61	-38.58
O=C(C1=CC(Br)=CC=C1OC(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020194686	1	34	-1.0	-43.23	313.94	4.63	-38.60
COC1=CC(Br)=C(Cl)C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194687	0	34	-1.0	-42.31	318.70	4.88	-37.43
COC1=CC(Br)=C(Cl)C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194687	1	34	-1.0	-42.33	318.77	4.88	-37.45
O=C(C1=CNC2=C(F)C(F)=CC=C2C1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194688	0	36	-1.0	-53.60	322.87	3.95	-49.65
O=C(C1=CNC2=C(F)C(F)=CC=C2C1=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194688	1	36	-1.0	-53.64	322.94	3.95	-49.69
O=C(C1=CN(C2=CC=C(F)C=C2)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194689	0	37	-1.0	-43.72	317.31	4.87	-38.85
O=C(C1=CN(C2=CC=C(F)C=C2)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194689	1	37	-1.0	-43.76	317.24	4.86	-38.90
CCOC(=O)C1(C(=O)N2CCC(C3=N[N-]N=N3)C2)CCCC1	REAL300020194690	0	42	-1.0	-44.83	328.37	4.72	-40.11
CCOC(=O)C1(C(=O)N2CCC(C3=NN=N[N-]3)C2)CCCC1	REAL300020194690	1	42	-1.0	-44.82	328.45	4.72	-40.10
CC1=C(F)C=CC([N+](=O)[O-])=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194691	0	35	-1.0	-47.63	309.42	5.43	-42.20
CC1=C(F)C=CC([N+](=O)[O-])=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194691	1	35	-1.0	-47.60	309.49	5.44	-42.16
CC1=C([N+](=O)[O-])C=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1[N+](=O)[O-]	REAL300020194692	0	37	-1.0	-39.39	320.09	5.35	-34.04
CC1=C([N+](=O)[O-])C=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1[N+](=O)[O-]	REAL300020194692	1	37	-1.0	-39.40	320.17	5.36	-34.04
O=C(CNS(=O)(=O)C1=CC=CN=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194693	0	37	-1.0	-50.15	329.88	-1.33	-51.48
O=C(CNS(=O)(=O)C1=CC=CN=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194693	1	37	-1.0	-50.10	329.80	-1.34	-51.44
CNC1=CC(I)=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194694	0	35	-1.0	-39.81	313.52	3.87	-35.94
CNC1=CC(I)=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194694	1	35	-1.0	-39.81	313.59	3.87	-35.94
NC1=NC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1[N+](=O)[O-]	REAL300020194695	0	33	-1.0	-40.29	283.58	1.43	-38.86
NC1=NC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1[N+](=O)[O-]	REAL300020194695	1	33	-1.0	-40.27	283.51	1.41	-38.86
O=C(CC1=CC=CC(CC(F)(F)F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194696	0	39	-1.0	-44.54	341.70	6.54	-38.00
O=C(CC1=CC=CC(CC(F)(F)F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194696	1	39	-1.0	-44.57	341.77	6.55	-38.02
CN1N=C(C2CC2)N=C1CC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194697	0	39	-1.0	-51.64	330.18	4.23	-47.41
CN1N=C(C2CC2)N=C1CC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194697	1	39	-1.0	-51.63	330.25	4.25	-47.38
COC1=CC=C2C(=C1)C(C(=O)N1CCC(C3=N[N-]N=N3)C1)=C(C)N2C	REAL300020194698	0	44	-1.0	-52.20	362.18	5.42	-46.78
COC1=CC=C2C(=C1)C(C(=O)N1CCC(C3=NN=N[N-]3)C1)=C(C)N2C	REAL300020194698	1	44	-1.0	-52.24	362.26	5.43	-46.81
CC(C)(C)OC(=O)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)N=C1	REAL300020194699	0	44	-1.0	-41.47	359.54	5.45	-36.02
CC(C)(C)OC(=O)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)N=C1	REAL300020194699	1	44	-1.0	-41.42	359.47	5.45	-35.97
O=C(C1=NN(C2=CC(F)=CC(F)=C2)C2=C1CCC2)N1CCC(C2=N[N-]N=N2)C1	REAL300020194700	0	44	-1.0	-44.60	374.37	7.33	-37.27
O=C(C1=NN(C2=CC(F)=CC(F)=C2)C2=C1CCC2)N1CCC(C2=NN=N[N-]2)C1	REAL300020194700	1	44	-1.0	-44.61	374.45	7.33	-37.28
O=C(C1=CC2=CC=CC(Cl)=C2S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194701	0	33	-1.0	-41.91	305.59	5.65	-36.26
O=C(C1=CC2=CC=CC(Cl)=C2S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194701	1	33	-1.0	-41.90	305.66	5.65	-36.25
O=C(C1CCC2=CC(Br)=CC=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020194702	0	37	-1.0	-43.80	324.31	6.34	-37.46
O=C(C1CCC2=CC(Br)=CC=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020194702	1	37	-1.0	-43.79	324.39	6.34	-37.45
CC1CCN2N=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C2C1	REAL300020194703	0	40	-1.0	-44.43	314.79	3.66	-40.77
CC1CCN2N=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C2C1	REAL300020194703	1	40	-1.0	-44.47	314.86	3.67	-40.80
O=C(C1=CC(Cl)=CC([N+](=O)[O-])=C1[O-])N1CCC(C2=N[N-]N=N2)C1	REAL300020194704	0	32	-2.0	-92.23	303.32	4.69	-87.54
O=C(C1=CC(Cl)=CC([N+](=O)[O-])=C1[O-])N1CCC(C2=NN=N[N-]2)C1	REAL300020194704	1	32	-2.0	-92.26	303.40	4.69	-87.57
COC1=C(Br)C=CC(F)=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194705	0	34	-1.0	-43.72	319.13	4.09	-39.63
COC1=C(Br)C=CC(F)=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194705	1	34	-1.0	-43.81	319.20	4.09	-39.72
O=C(CC1=CC=C2OCCCC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194706	0	41	-1.0	-46.59	334.44	5.39	-41.20
O=C(CC1=CC=C2OCCCC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194706	1	41	-1.0	-46.62	334.51	5.41	-41.21
CSC1=CC=C(CCCC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020194707	0	43	-1.0	-46.26	363.85	7.38	-38.88
CSC1=CC=C(CCCC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020194707	1	43	-1.0	-46.30	363.92	7.39	-38.91
O=C(CN1N=NN=C1C1=CSC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194708	0	35	-1.0	-50.51	314.81	2.65	-47.86
O=C(CN1N=NN=C1C1=CSC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194708	1	35	-1.0	-50.54	314.89	2.66	-47.88
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)N=NN1C1=CC=C(F)C(F)=C1	REAL300020194709	0	39	-1.0	-41.21	339.54	4.51	-36.70
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)N=NN1C1=CC=C(F)C(F)=C1	REAL300020194709	1	39	-1.0	-41.16	339.61	4.53	-36.63
O=C(C1=COC2=CC=C(F)C=C12)N1CCC(C2=N[N-]N=N2)C1	REAL300020194710	0	33	-1.0	-48.45	285.19	4.12	-44.33
O=C(C1=COC2=CC=C(F)C=C12)N1CCC(C2=NN=N[N-]2)C1	REAL300020194710	1	33	-1.0	-48.47	285.26	4.13	-44.34
CC1=NC2=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=C(Cl)C=C2C=C1	REAL300020194711	0	38	-1.0	-49.51	332.71	5.43	-44.08
CC1=NC2=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=C(Cl)C=C2C=C1	REAL300020194711	1	38	-1.0	-49.50	332.78	5.45	-44.05
CCOC(=O)C1CCC(CC(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020194712	0	48	-1.0	-43.82	370.57	6.41	-37.41
CCOC(=O)C1CCC(CC(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020194712	1	48	-1.0	-43.83	370.64	6.42	-37.41
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(C2=CC=CC=C2F)CCC1	REAL300020194713	0	40	-1.0	-46.39	320.35	5.94	-40.45
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(C2=CC=CC=C2F)CCC1	REAL300020194713	1	40	-1.0	-46.38	320.42	5.95	-40.43
CC(C)(C)OC(=O)CCCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194714	0	44	-1.0	-50.12	352.58	5.39	-44.73
CC(C)(C)OC(=O)CCCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194714	1	44	-1.0	-50.10	352.66	5.40	-44.70
O=C(CN1C=CC2=CC=C(F)C=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020194715	0	37	-1.0	-48.26	320.28	6.28	-41.98
O=C(CN1C=CC2=CC=C(F)C=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020194715	1	37	-1.0	-48.25	320.36	6.29	-41.96
CC1(C)CC2=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=CC=C2O1	REAL300020194716	0	41	-1.0	-43.87	327.44	4.82	-39.05
CC1(C)CC2=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=CC=C2O1	REAL300020194716	1	41	-1.0	-43.86	327.52	4.82	-39.04
CC(C)(C)OC(=O)COCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194717	0	42	-1.0	-53.98	344.72	4.60	-49.38
CC(C)(C)OC(=O)COCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194717	1	42	-1.0	-54.00	344.79	4.61	-49.39
O=C(C1=CC(Cl)=CC=C1N1C=NC=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194718	0	36	-1.0	-50.73	320.43	7.24	-43.49
O=C(C1=CC(Cl)=CC=C1N1C=NC=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194718	1	36	-1.0	-50.69	320.36	7.24	-43.45
CC1=CC=C(C2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2)N=N1	REAL300020194719	0	41	-1.0	-51.11	338.18	4.90	-46.21
CC1=CC=C(C2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2)N=N1	REAL300020194719	1	41	-1.0	-51.12	338.25	4.92	-46.20
O=C(C1=CC2=C(Br)C=NC=C2S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194720	0	32	-1.0	-41.09	304.54	3.94	-37.15
O=C(C1=CC2=C(Br)C=NC=C2S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194720	1	32	-1.0	-41.14	304.47	3.94	-37.20
CCCC1=CC=C(CCCC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020194721	0	48	-1.0	-44.83	388.02	8.57	-36.26
CCCC1=CC=C(CCCC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020194721	1	48	-1.0	-44.80	388.09	8.59	-36.21
O=C(C1=CC=C(C2=CC=CC=C2)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194722	0	39	-1.0	-45.61	321.67	5.45	-40.16
O=C(C1=CC=C(C2=CC=CC=C2)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194722	1	39	-1.0	-45.62	321.59	5.45	-40.17
CC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1N1CCOCC1	REAL300020194723	0	46	-1.0	-43.50	357.56	3.77	-39.73
CC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1N1CCOCC1	REAL300020194723	1	46	-1.0	-43.51	357.63	3.79	-39.72
CC(C)(C)OC(=O)N[C@H]1C[C@@H](C(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020194724	0	47	-1.0	-44.84	373.35	2.82	-42.02
CC(C)(C)OC(=O)N[C@H]1C[C@@H](C(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020194724	1	47	-1.0	-44.82	373.42	2.83	-41.99
O=C(C1CC1)N1CCC[C@H]1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194725	0	41	-1.0	-55.68	329.61	5.17	-50.51
O=C(C1CC1)N1CCC[C@H]1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194725	1	41	-1.0	-55.65	329.68	5.17	-50.48
O=C(C1=CC=CC2=CC(O)=CC=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020194726	0	37	-1.0	-46.43	308.85	3.11	-43.32
O=C(C1=CC=CC2=CC(O)=CC=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020194726	1	37	-1.0	-46.43	308.92	3.12	-43.31
O=C(C1=C(O)C2=NC=CC=C2C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194727	0	36	-1.0	-51.01	305.28	2.13	-48.88
O=C(C1=C(O)C2=NC=CC=C2C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194727	1	36	-1.0	-51.02	305.36	2.14	-48.88
O=C(C1=C([O-])C2=NC=CC=C2C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194727	1	35	-2.0	-109.42	301.49	3.19	-106.23
O=C(C1=C([O-])C2=NC=CC=C2C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194727	1	35	-2.0	-109.40	301.56	3.19	-106.21
O=C(C1=CC=C(C2=CNC=N2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194728	0	37	-1.0	-51.37	308.20	4.77	-46.60
O=C(C1=CC=C(C2=CNC=N2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194728	1	37	-1.0	-51.35	308.28	4.79	-46.56
O=C(CC1=CC=CC(F)=C1[N+](=O)[O-])N1CCC(C2=N[N-]N=N2)C1	REAL300020194729	0	35	-1.0	-51.82	316.07	5.64	-46.18
O=C(CC1=CC=CC(F)=C1[N+](=O)[O-])N1CCC(C2=NN=N[N-]2)C1	REAL300020194729	1	35	-1.0	-51.87	316.15	5.65	-46.22
O=C(C1COC2=CC=C(O)C=C2O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194730	0	37	-1.0	-46.57	309.77	1.12	-45.45
O=C(C1COC2=CC=C(O)C=C2O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194730	1	37	-1.0	-46.62	309.84	1.14	-45.48
CC(C)(C)OC(=O)C(C)(C)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194731	0	44	-1.0	-43.15	336.05	4.71	-38.44
CC(C)(C)OC(=O)C(C)(C)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194731	1	44	-1.0	-43.12	336.12	4.72	-38.40
O=C(C1=C(Cl)SC(Br)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194732	0	26	-1.0	-39.59	275.63	2.72	-36.87
O=C(C1=C(Cl)SC(Br)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194732	1	26	-1.0	-39.64	275.56	2.71	-36.93
O=C(CC1=CC=C(Br)C([N+](=O)[O-])=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194733	0	35	-1.0	-49.42	325.13	5.89	-43.53
O=C(CC1=CC=C(Br)C([N+](=O)[O-])=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194733	1	35	-1.0	-49.42	325.20	5.91	-43.51
CC(C)C(C(=O)OC(C)(C)C)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194734	0	47	-1.0	-45.30	362.90	5.62	-39.68
CC(C)C(C(=O)OC(C)(C)C)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194734	1	47	-1.0	-45.30	362.98	5.62	-39.68
COC(=O)C1=C(COCC(=O)N2CCC(C3=NN=N[N-]3)C2)OC=N1	REAL300020194735	0	39	-1.0	-54.04	343.80	0.49	-53.55
COC(=O)C1=C(COCC(=O)N2CCC(C3=N[N-]N=N3)C2)OC=N1	REAL300020194735	1	39	-1.0	-53.99	343.73	0.48	-53.51
C[N@@H+]1CC[C@H](C(=O)N2CCC(C3=N[N-]N=N3)C2)[C@@H]1C1=CC=CC=C1	REAL300020194736	0	46	0.0	-65.94	331.74	5.87	-60.07
C[N@H+]1CC[C@H](C(=O)N2CCC(C3=N[N-]N=N3)C2)[C@@H]1C1=CC=CC=C1	REAL300020194736	1	46	0.0	-70.32	353.59	6.70	-63.62
C[N@@H+]1CC[C@H](C(=O)N2CCC(C3=NN=N[N-]3)C2)[C@@H]1C1=CC=CC=C1	REAL300020194736	1	46	0.0	-65.90	331.82	5.88	-60.02
C[N@H+]1CC[C@H](C(=O)N2CCC(C3=NN=N[N-]3)C2)[C@@H]1C1=CC=CC=C1	REAL300020194736	1	46	0.0	-70.33	353.66	6.70	-63.63
O=C(C1CCN(C2=CC=[NH+]C=C2)C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194737	0	42	0.0	-62.16	328.10	2.84	-59.32
O=C(C1CCN(C2=CC=[NH+]C=C2)C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194737	1	42	0.0	-62.17	328.03	2.83	-59.34
CC1=C(C2=CC=CO2)N=C(CC(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020194738	0	39	-1.0	-49.32	348.02	4.37	-44.95
CC1=C(C2=CC=CO2)N=C(CC(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020194738	1	39	-1.0	-49.31	347.95	4.35	-44.96
O=C(CN1CC2=CC=CC=C2OC1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194739	0	39	-1.0	-54.32	330.36	4.86	-49.46
O=C(CN1CC2=CC=CC=C2OC1=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194739	1	39	-1.0	-54.32	330.44	4.87	-49.45
CC1=C(C2=CC=CC=C2)SC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020194740	0	40	-1.0	-42.17	341.45	7.05	-35.12
CC1=C(C2=CC=CC=C2)SC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020194740	1	40	-1.0	-42.16	341.52	7.05	-35.11
O=C(CCC1=C(Cl)C=CC=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020194741	0	36	-1.0	-43.66	330.23	6.41	-37.25
O=C(CCC1=C(Cl)C=CC=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020194741	1	36	-1.0	-43.66	330.30	6.42	-37.24
O=C(C1=C2OCCOC2=CS1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194742	0	33	-1.0	-47.15	284.96	2.21	-44.94
O=C(C1=C2OCCOC2=CS1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194742	1	33	-1.0	-47.16	285.04	2.21	-44.95
CC1=NN(C2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2)C(C2=CC=CC=C2)=C1	REAL300020194743	0	50	-1.0	-45.92	404.02	8.38	-37.54
CC1=NN(C2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2)C(C2=CC=CC=C2)=C1	REAL300020194743	1	50	-1.0	-45.91	403.94	8.37	-37.54
CCC1=C(C2=CC=CC=C2)SC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020194744	0	43	-1.0	-42.03	361.82	7.77	-34.26
CCC1=C(C2=CC=CC=C2)SC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020194744	1	43	-1.0	-42.00	361.88	7.77	-34.23
O=C(CCCC1=C(F)C=CC=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020194745	0	39	-1.0	-46.13	334.25	6.41	-39.72
O=C(CCCC1=C(F)C=CC=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020194745	1	39	-1.0	-46.12	334.32	6.42	-39.70
O=C(C1=CN=CC=C1C(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020194746	0	32	-1.0	-43.96	283.04	2.87	-41.09
O=C(C1=CN=CC=C1C(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020194746	1	32	-1.0	-43.96	282.97	2.86	-41.10
CC1=CC=CC=C1N1N=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1C(F)F	REAL300020194747	0	43	-1.0	-45.95	355.54	6.27	-39.68
CC1=CC=CC=C1N1N=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1C(F)F	REAL300020194747	1	43	-1.0	-46.01	355.61	6.29	-39.72
CC1=CC=C(C2(C(=O)N3CCC(C4=N[N-]N=N4)C3)CCOCC2)C=C1C	REAL300020194748	0	50	-1.0	-43.23	368.56	5.65	-37.58
CC1=CC=C(C2(C(=O)N3CCC(C4=NN=N[N-]4)C3)CCOCC2)C=C1C	REAL300020194748	1	50	-1.0	-43.29	368.64	5.65	-37.64
O=C(NC1=C(F)C=CC=C1F)C1(C(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020194749	0	41	-1.0	-46.03	354.71	4.27	-41.76
O=C(NC1=C(F)C=CC=C1F)C1(C(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020194749	1	41	-1.0	-46.03	354.78	4.29	-41.74
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(C2=CC=C(C(F)(F)F)C=C2)CCC1	REAL300020194750	0	43	-1.0	-43.79	352.74	6.91	-36.88
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(C2=CC=C(C(F)(F)F)C=C2)CCC1	REAL300020194750	1	43	-1.0	-43.77	352.82	6.93	-36.84
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(C2=CC=CC(OC(F)(F)F)=C2)CCC1	REAL300020194751	0	44	-1.0	-45.81	360.00	5.70	-40.11
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(C2=CC=CC(OC(F)(F)F)=C2)CCC1	REAL300020194751	1	44	-1.0	-45.83	360.08	5.72	-40.11
O=C(C1CCCCC1N1C=CC=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194752	0	43	-1.0	-50.99	339.74	4.96	-46.03
O=C(C1CCCCC1N1C=CC=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194752	1	43	-1.0	-50.97	339.67	4.95	-46.02
CC(C)C1CCC(C)CC1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194753	0	48	-1.0	-41.03	329.15	6.63	-34.40
CC(C)C1CCC(C)CC1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194753	1	48	-1.0	-41.01	329.22	6.65	-34.36
CC(C)(C)OC(=O)N1CCCC(CC(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020194754	0	53	-1.0	-54.07	403.47	5.72	-48.35
CC(C)(C)OC(=O)N1CCCC(CC(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020194754	1	53	-1.0	-54.06	403.55	5.73	-48.33
CC(C)(C)OC(=O)N(CCC(=O)N1CCC(C2=N[N-]N=N2)C1)C1CC1	REAL300020194755	0	50	-1.0	-44.54	390.79	5.42	-39.12
CC(C)(C)OC(=O)N(CCC(=O)N1CCC(C2=NN=N[N-]2)C1)C1CC1	REAL300020194755	1	50	-1.0	-44.52	390.87	5.43	-39.09
CC(C)(C)OC(=O)NCC1CCCC1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194756	0	53	-1.0	-47.22	405.81	3.92	-43.30
CC(C)(C)OC(=O)NCC1CCCC1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194756	1	53	-1.0	-47.22	405.89	3.94	-43.28
CC(C(=O)N1CCC(C2=N[N-]N=N2)C1)N(C)C(=O)OC(C)(C)C	REAL300020194757	0	46	-1.0	-44.15	357.95	3.79	-40.36
CC(C(=O)N1CCC(C2=NN=N[N-]2)C1)N(C)C(=O)OC(C)(C)C	REAL300020194757	1	46	-1.0	-44.16	358.03	3.80	-40.36
CC(CC1=CC=C(C#N)C=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194758	0	40	-1.0	-38.44	338.11	6.28	-32.16
CC(CC1=CC=C(C#N)C=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194758	1	40	-1.0	-38.45	338.19	6.29	-32.16
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)OC(=O)C2=CC=CC=C21	REAL300020194759	0	38	-1.0	-43.65	315.51	5.85	-37.80
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)OC(=O)C2=CC=CC=C21	REAL300020194759	1	38	-1.0	-43.64	315.58	5.85	-37.79
CC(C)(C)OC(=O)N1CCCC2(CC2C(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020194760	0	54	-1.0	-52.43	411.71	6.09	-46.34
CC(C)(C)OC(=O)N1CCCC2(CC2C(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020194760	1	54	-1.0	-52.39	411.79	6.10	-46.29
CC(C)(C)OC(=O)NC(CCCCC#N)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194761	0	53	-1.0	-57.64	419.08	5.05	-52.59
CC(C)(C)OC(=O)NC(CCCCC#N)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194761	1	53	-1.0	-57.62	419.16	5.07	-52.55
CC(C)(C)OC(=O)CCCCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194762	0	47	-1.0	-44.65	374.09	6.16	-38.49
CC(C)(C)OC(=O)CCCCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194762	1	47	-1.0	-44.66	374.16	6.18	-38.48
C[C@H](NC(=O)C1=CC=CO1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194763	0	37	-1.0	-40.30	318.18	1.23	-39.07
C[C@H](NC(=O)C1=CC=CO1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194763	1	37	-1.0	-40.32	318.26	1.25	-39.07
O=C(C1=NN(CCF)C(=O)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194764	0	35	-1.0	-40.62	303.43	2.36	-38.26
O=C(C1=NN(CCF)C(=O)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194764	1	35	-1.0	-40.59	303.50	2.38	-38.21
O=C(C1=CC(Cl)=NC(C2CC2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194765	0	36	-1.0	-39.96	311.72	4.29	-35.67
O=C(C1=CC(Cl)=NC(C2CC2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194765	1	36	-1.0	-39.99	311.80	4.30	-35.69
O=C(C1=CC=C2OCCOC2=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194766	0	35	-1.0	-44.10	294.23	1.03	-43.07
O=C(C1=CC=C2OCCOC2=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194766	1	35	-1.0	-44.06	294.16	1.01	-43.05
O=C(CCCC1=CC=C(F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194767	0	39	-1.0	-45.80	330.04	6.42	-39.38
O=C(CCCC1=CC=C(F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194767	1	39	-1.0	-45.86	330.12	6.44	-39.42
CS(=O)(=O)N1CCC(CC(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020194768	0	44	-1.0	-51.30	355.46	1.45	-49.85
CS(=O)(=O)N1CCC(CC(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020194768	1	44	-1.0	-51.30	355.53	1.47	-49.83
COC1=CC=C2CCCC(C(=O)N3CCC(C4=N[N-]N=N4)C3)C2=C1	REAL300020194769	0	44	-1.0	-48.38	346.98	5.45	-42.93
COC1=CC=C2CCCC(C(=O)N3CCC(C4=NN=N[N-]4)C3)C2=C1	REAL300020194769	1	44	-1.0	-48.41	347.06	5.47	-42.94
COC1=CN2N=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C2C=C1	REAL300020194770	0	37	-1.0	-46.12	306.83	2.65	-43.47
COC1=CN2N=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C2C=C1	REAL300020194770	1	37	-1.0	-46.13	306.76	2.65	-43.48
O=C(C1=NN(C2=CC=C(Br)C=C2)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194771	0	36	-1.0	-39.77	333.33	4.46	-35.31
O=C(C1=NN(C2=CC=C(Br)C=C2)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194771	1	36	-1.0	-39.77	333.26	4.45	-35.32
CC1(C)CC2=CC=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C2O1	REAL300020194772	0	41	-1.0	-49.37	331.77	5.01	-44.36
CC1(C)CC2=CC=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C2O1	REAL300020194772	1	41	-1.0	-49.40	331.85	5.02	-44.38
O=C(C=CC1=CC=C2OC(F)(F)OC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194773	0	37	-1.0	-45.74	329.46	4.32	-41.42
O=C(C=CC1=CC=C2OC(F)(F)OC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194773	1	37	-1.0	-45.71	329.54	4.33	-41.38
NC1=NC(C2CC2)=NC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194774	0	37	-1.0	-40.10	307.93	2.35	-37.75
NC1=NC(C2CC2)=NC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194774	1	37	-1.0	-40.12	308.01	2.36	-37.76
O=C(C1=CNC=C2N=C(C(F)(F)F)N=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020194775	0	35	-1.0	-71.91	322.69	2.19	-69.72
O=C(C1=CNC=C2N=C(C(F)(F)F)N=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020194775	1	35	-1.0	-71.84	322.77	2.21	-69.63
CN1CCC(C(=O)N2CCC(C3=N[N-]N=N3)C2)C2=CC=CC=C21	REAL300020194776	0	42	-1.0	-44.64	329.84	4.23	-40.41
CN1CCC(C(=O)N2CCC(C3=NN=N[N-]3)C2)C2=CC=CC=C21	REAL300020194776	1	42	-1.0	-44.66	329.92	4.26	-40.40
CN(C)C1=NC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020194777	0	37	-1.0	-40.22	318.20	2.81	-37.41
CN(C)C1=NC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1Cl	REAL300020194777	1	37	-1.0	-40.21	318.13	2.79	-37.42
CC(C)OC1=CC=CC=C1C(F)(F)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194778	0	43	-1.0	-42.62	354.41	5.66	-36.96
CC(C)OC1=CC=CC=C1C(F)(F)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194778	1	43	-1.0	-42.65	354.48	5.67	-36.98
O=C(C1=C2NC(=O)COC2=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194779	0	36	-1.0	-47.87	301.95	1.21	-46.66
O=C(C1=C2NC(=O)COC2=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194779	1	36	-1.0	-47.92	302.02	1.21	-46.71
CC(=NO)C1CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)C1(C)C	REAL300020194780	0	43	-1.0	-47.82	332.68	2.52	-45.30
CC(=NO)C1CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)C1(C)C	REAL300020194780	1	43	-1.0	-47.83	332.75	2.53	-45.30
O=C(COC1=NSN=C1N1CCOCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194781	0	42	-1.0	-42.43	357.57	-0.30	-42.73
O=C(COC1=NSN=C1N1CCOCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194781	1	42	-1.0	-42.45	357.50	-0.31	-42.76
O=C(C1=C(C2=CC=CC=C2)SCCO1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194782	0	40	-1.0	-43.51	335.28	5.91	-37.60
O=C(C1=C(C2=CC=CC=C2)SCCO1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194782	1	40	-1.0	-43.53	335.36	5.93	-37.60
O=C(C1=C(C(F)(F)F)N=CO1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194783	0	29	-1.0	-44.16	266.55	-0.20	-44.36
O=C(C1=C(C(F)(F)F)N=CO1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194783	1	29	-1.0	-44.12	266.48	-0.21	-44.33
CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020194784	0	52	-1.0	-46.01	414.50	6.37	-39.64
CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020194784	1	52	-1.0	-46.00	414.57	6.38	-39.62
CC1CC2=C(NN=C2)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020194785	0	40	-1.0	-45.35	321.04	3.24	-42.11
CC1CC2=C(NN=C2)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020194785	1	40	-1.0	-45.37	321.12	3.25	-42.12
CC(C)(C)OC(=O)C1(C(=O)N2CCC(C3=N[N-]N=N3)C2)CCCO1	REAL300020194786	0	46	-1.0	-41.81	355.53	4.44	-37.37
CC(C)(C)OC(=O)C1(C(=O)N2CCC(C3=NN=N[N-]3)C2)CCCO1	REAL300020194786	1	46	-1.0	-41.85	355.60	4.46	-37.39
O=C(CC(N1C=CN=C1)C(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020194787	0	36	-1.0	-45.02	315.08	5.05	-39.97
O=C(CC(N1C=CN=C1)C(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020194787	1	36	-1.0	-45.02	315.15	5.05	-39.97
O=C(C1=CC(N2C=CN=C2)=CC=C1O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194788	0	38	-1.0	-46.71	320.10	4.14	-42.57
O=C(C1=CC(N2C=CN=C2)=CC=C1O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194788	1	38	-1.0	-46.70	320.17	4.15	-42.55
O=C(C1=CSC(Br)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194789	0	26	-1.0	-40.83	261.73	2.04	-38.79
O=C(C1=CSC(Br)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194789	1	26	-1.0	-40.84	261.66	2.03	-38.81
CC(C)CC(C(=O)N1CCC(C2=N[N-]N=N2)C1)N1C=CN=C1	REAL300020194790	0	42	-1.0	-44.76	339.15	6.09	-38.67
CC(C)CC(C(=O)N1CCC(C2=NN=N[N-]2)C1)N1C=CN=C1	REAL300020194790	1	42	-1.0	-44.77	339.22	6.11	-38.66
CN1CCCC1C1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=NN1	REAL300020194791	0	42	-1.0	-42.65	339.51	1.14	-41.51
CN1CCCC1C1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=NN1	REAL300020194791	1	42	-1.0	-42.61	339.59	1.14	-41.47
CC1(C(=O)N2CCC(C3=N[N-]N=N3)C2)CC(C2=CC=CC=C2)=NO1	REAL300020194792	0	41	-1.0	-45.22	337.51	4.88	-40.34
CC1(C(=O)N2CCC(C3=NN=N[N-]3)C2)CC(C2=CC=CC=C2)=NO1	REAL300020194792	1	41	-1.0	-45.22	337.58	4.90	-40.32
O=C(CCC(=O)N1CCC(C2=N[N-]N=N2)C1)NC1=C(F)C=CC=C1F	REAL300020194793	0	40	-1.0	-47.10	352.67	4.06	-43.04
O=C(CCC(=O)N1CCC(C2=NN=N[N-]2)C1)NC1=C(F)C=CC=C1F	REAL300020194793	1	40	-1.0	-47.09	352.74	4.07	-43.02
CN(C)C(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=C(Cl)C=C1	REAL300020194794	0	41	-1.0	-42.55	344.30	4.10	-38.45
CN(C)C(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=C(Cl)C=C1	REAL300020194794	1	41	-1.0	-42.52	344.37	4.11	-38.41
C[NH+](C)C(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=C(Cl)C=C1	REAL300020194794	1	42	0.0	-61.78	340.86	6.19	-55.59
CC(C)(C)OC(=O)C1(C(=O)N2CCC(C3=N[N-]N=N3)C2)CCC1	REAL300020194795	0	45	-1.0	-41.18	348.93	5.31	-35.87
CC(C)(C)OC(=O)C1(C(=O)N2CCC(C3=NN=N[N-]3)C2)CCC1	REAL300020194795	1	45	-1.0	-41.17	349.00	5.31	-35.86
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)NC(=O)C2=CC=CC=C21	REAL300020194796	0	39	-1.0	-43.63	327.18	3.41	-40.22
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)NC(=O)C2=CC=CC=C21	REAL300020194796	1	39	-1.0	-43.65	327.26	3.42	-40.23
CC(CC(=O)N1CCC(C2=N[N-]N=N2)C1)N1CCC2=CC=CC=C21	REAL300020194797	0	45	-1.0	-48.08	347.49	5.31	-42.77
CC(CC(=O)N1CCC(C2=NN=N[N-]2)C1)N1CCC2=CC=CC=C21	REAL300020194797	1	45	-1.0	-48.10	347.57	5.32	-42.78
CCN1C(=O)NC2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=C21	REAL300020194798	0	40	-1.0	-45.80	329.82	3.37	-42.43
CCN1C(=O)NC2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=C21	REAL300020194798	1	40	-1.0	-45.81	329.89	3.39	-42.42
CSC1=CC(Br)=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194799	0	34	-1.0	-42.95	312.95	5.30	-37.65
CSC1=CC(Br)=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194799	1	34	-1.0	-42.93	313.02	5.30	-37.63
CC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC(NC2CC2)=N1	REAL300020194800	0	41	-1.0	-43.18	332.51	3.76	-39.42
CC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC(NC2CC2)=N1	REAL300020194800	1	41	-1.0	-43.22	332.59	3.78	-39.44
COC(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1Br	REAL300020194801	0	37	-1.0	-42.41	322.47	4.84	-37.57
COC(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1Br	REAL300020194801	1	37	-1.0	-42.40	322.54	4.86	-37.54
CC1=CC=C(C2=NC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)S2)C=C1C	REAL300020194802	0	42	-1.0	-42.81	355.53	5.87	-36.94
CC1=CC=C(C2=NC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)S2)C=C1C	REAL300020194802	1	42	-1.0	-42.81	355.45	5.87	-36.94
O=C(CCC1=CC=C2OC(F)(F)OC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194803	0	39	-1.0	-44.38	341.72	4.69	-39.69
O=C(CCC1=CC=C2OC(F)(F)OC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194803	1	39	-1.0	-44.39	341.80	4.69	-39.70
O=C(C1=C(C(F)F)N(C2=CC=CC=C2)N=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194804	0	39	-1.0	-40.21	335.01	4.47	-35.74
O=C(C1=C(C(F)F)N(C2=CC=CC=C2)N=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194804	1	39	-1.0	-40.23	335.09	4.47	-35.76
O=C(C1CCC2(CC2(F)F)CC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194805	0	40	-1.0	-47.11	315.61	5.59	-41.52
O=C(C1CCC2(CC2(F)F)CC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194805	1	40	-1.0	-47.12	315.69	5.60	-41.52
O=C(C1=CC=C(C(F)F)C=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020194806	0	33	-1.0	-45.27	293.94	4.70	-40.57
O=C(C1=CC=C(C(F)F)C=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020194806	1	33	-1.0	-45.29	294.01	4.71	-40.58
O=C(CC1OCC2=CC(Cl)=CC=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020194807	0	38	-1.0	-45.57	331.65	5.42	-40.15
O=C(CC1OCC2=CC(Cl)=CC=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020194807	1	38	-1.0	-45.57	331.73	5.42	-40.15
O=C(C1=CC=C(OCC(F)(F)F)O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194808	0	34	-1.0	-40.76	311.72	3.79	-36.97
O=C(C1=CC=C(OCC(F)(F)F)O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194808	1	34	-1.0	-40.81	311.79	3.80	-37.01
NC1=C(Cl)C(F)=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1Cl	REAL300020194809	0	32	-1.0	-39.46	301.36	2.79	-36.67
NC1=C(Cl)C(F)=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1Cl	REAL300020194809	1	32	-1.0	-39.44	301.44	2.81	-36.63
CC(C)(C)OC(=O)N1C(C(=O)N2CCC(C3=N[N-]N=N3)C2)CCC1C1CC1	REAL300020194810	0	54	-1.0	-48.75	417.24	7.04	-41.71
CC(C)(C)OC(=O)N1C(C(=O)N2CCC(C3=NN=N[N-]3)C2)CCC1C1CC1	REAL300020194810	1	54	-1.0	-48.79	417.32	7.04	-41.75
CS(=O)(=O)C1=CC=C(NCC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020194811	0	41	-1.0	-50.51	354.29	0.54	-49.97
CS(=O)(=O)C1=CC=C(NCC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020194811	1	41	-1.0	-50.52	354.36	0.55	-49.97
O=C(NC1=CN=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1)C(F)(F)F	REAL300020194812	0	36	-1.0	-41.00	321.25	1.50	-39.50
O=C(NC1=CN=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1)C(F)(F)F	REAL300020194812	1	36	-1.0	-40.97	321.17	1.50	-39.47
O=C(C1=CC(F)=C(Cl)C([N+](=O)[O-])=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020194813	0	32	-1.0	-39.83	320.06	5.60	-34.23
O=C(C1=CC(F)=C(Cl)C([N+](=O)[O-])=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020194813	1	32	-1.0	-39.82	320.14	5.62	-34.20
O=C(C1=CSC(N2CCCCC2)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194814	0	41	-1.0	-41.72	337.88	3.95	-37.77
O=C(C1=CSC(N2CCCCC2)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194814	1	41	-1.0	-41.72	337.80	3.94	-37.78
O=C(C1=NOC(C2=CC=CC(O)=C2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194815	0	37	-1.0	-42.18	322.78	2.36	-39.82
O=C(C1=NOC(C2=CC=CC(O)=C2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194815	1	37	-1.0	-42.17	322.86	2.36	-39.81
CCC(CC)(C(=O)OC(C)(C)C)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194816	0	50	-1.0	-49.69	370.06	6.50	-43.19
CCC(CC)(C(=O)OC(C)(C)C)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194816	1	50	-1.0	-49.67	370.14	6.51	-43.16
CC(C)(C)OC(=O)N1CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020194817	0	48	-1.0	-46.23	379.12	4.83	-41.40
CC(C)(C)OC(=O)N1CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020194817	1	48	-1.0	-46.24	379.20	4.83	-41.41
NC(=O)CC(NC(=O)CC1=CC=CC(F)=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194818	0	47	-1.0	-50.10	392.79	2.33	-47.77
NC(=O)CC(NC(=O)CC1=CC=CC(F)=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194818	1	47	-1.0	-50.14	392.87	2.33	-47.81
NC(=O)CC(NC(=O)C1=CC=CC=C1F)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194819	0	44	-1.0	-51.93	366.84	1.67	-50.26
NC(=O)CC(NC(=O)C1=CC=CC=C1F)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194819	1	44	-1.0	-51.93	366.91	1.68	-50.25
NS(=O)(=O)C1=CC=C(NCC(=O)N2CCC(C3=N[N-]N=N3)C2)C(F)=C1	REAL300020194820	0	40	-1.0	-51.77	353.25	-1.93	-53.70
NS(=O)(=O)C1=CC=C(NCC(=O)N2CCC(C3=NN=N[N-]3)C2)C(F)=C1	REAL300020194820	1	40	-1.0	-51.80	353.33	-1.91	-53.71
O=C(C1=CC=NC2=C1NC(=O)N2)N1CCC(C2=N[N-]N=N2)C1	REAL300020194821	0	33	-1.0	-45.54	285.04	-0.22	-45.76
O=C(C1=CC=NC2=C1NC(=O)N2)N1CCC(C2=NN=N[N-]2)C1	REAL300020194821	1	33	-1.0	-45.54	285.11	-0.21	-45.75
CN1CCC(CC2=CC=CC=C2)(C(=O)N2CCC(C3=N[N-]N=N3)C2)C1=O	REAL300020194822	0	47	-1.0	-52.31	362.09	5.77	-46.54
CN1CCC(CC2=CC=CC=C2)(C(=O)N2CCC(C3=NN=N[N-]3)C2)C1=O	REAL300020194822	1	47	-1.0	-52.35	362.16	5.78	-46.57
CN1C(=O)[C@H](O)[C@H](C(=O)N2CCC(C3=N[N-]N=N3)C2)[C@H]1C1=CC=CC=C1	REAL300020194823	0	45	-1.0	-41.19	369.67	2.49	-38.70
CN1C(=O)[C@H](O)[C@H](C(=O)N2CCC(C3=NN=N[N-]3)C2)[C@H]1C1=CC=CC=C1	REAL300020194823	1	45	-1.0	-41.23	369.74	2.49	-38.74
C[NH+](C)CCN1C(=O)NC2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=C21	REAL300020194824	0	49	0.0	-72.17	387.77	4.67	-67.50
C[NH+](C)CCN1C(=O)NC2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=C21	REAL300020194824	1	49	0.0	-72.18	387.84	4.69	-67.49
O=C(C1=CC=C(C2=CC=CC=N2)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194825	0	38	-1.0	-44.89	319.09	3.96	-40.93
O=C(C1=CC=C(C2=CC=CC=N2)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194825	1	38	-1.0	-44.89	319.16	3.97	-40.92
CC(C)(C)OC(=O)C1(C(=O)N2CCC(C3=N[N-]N=N3)C2)CC=CCC1	REAL300020194826	0	49	-1.0	-39.52	365.24	6.06	-33.46
CC(C)(C)OC(=O)C1(C(=O)N2CCC(C3=NN=N[N-]3)C2)CC=CCC1	REAL300020194826	1	49	-1.0	-39.56	365.31	6.06	-33.50
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(C2=CC=CC(OC(F)(F)F)=C2)CC1	REAL300020194827	0	41	-1.0	-47.38	351.08	5.45	-41.93
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(C2=CC=CC(OC(F)(F)F)=C2)CC1	REAL300020194827	1	41	-1.0	-47.39	351.16	5.45	-41.94
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)SC(C2=CC=CC=C2F)=N1	REAL300020194828	0	39	-1.0	-45.51	338.72	5.52	-39.99
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)SC(C2=CC=CC=C2F)=N1	REAL300020194828	1	39	-1.0	-45.51	338.64	5.52	-39.99
O=C(C1=CC=CC(N2C=NC=N2)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194829	0	35	-1.0	-43.51	304.94	6.36	-37.15
O=C(C1=CC=CC(N2C=NC=N2)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194829	1	35	-1.0	-43.51	304.87	6.36	-37.15
O=C(C1=C2N=CSC2=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194830	0	32	-1.0	-50.20	285.46	3.17	-47.03
O=C(C1=C2N=CSC2=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194830	1	32	-1.0	-50.24	285.38	3.17	-47.07
CS(=O)(=O)C1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CO1	REAL300020194831	0	33	-1.0	-52.62	296.74	-0.68	-53.30
CS(=O)(=O)C1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CO1	REAL300020194831	1	33	-1.0	-52.58	296.82	-0.68	-53.26
O=C([C@@H]1CSC[C@H]1C1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194832	0	41	-1.0	-36.86	339.56	6.65	-30.21
O=C([C@@H]1CSC[C@H]1C1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194832	1	41	-1.0	-36.87	339.64	6.66	-30.21
O=C(C1=COC2=CC=C(Cl)C=C12)N1CCC(C2=N[N-]N=N2)C1	REAL300020194833	0	33	-1.0	-47.34	295.51	4.57	-42.77
O=C(C1=COC2=CC=C(Cl)C=C12)N1CCC(C2=NN=N[N-]2)C1	REAL300020194833	1	33	-1.0	-47.30	295.58	4.58	-42.72
O=C(C1=CN(C2=CC=CC=C2)C=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194834	0	37	-1.0	-45.59	312.83	6.70	-38.89
O=C(C1=CN(C2=CC=CC=C2)C=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194834	1	37	-1.0	-45.57	312.76	6.69	-38.88
O=C(C1=CC=CC=C1NCC1=CC=CO1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194835	0	42	-1.0	-45.27	348.11	4.73	-40.54
O=C(C1=CC=CC=C1NCC1=CC=CO1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194835	1	42	-1.0	-45.24	348.17	4.74	-40.50
O=C(C1=CC=CC=C1NCCC1=CCCCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194836	0	52	-1.0	-41.99	404.49	7.58	-34.41
O=C(C1=CC=CC=C1NCCC1=CCCCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194836	1	52	-1.0	-42.06	404.56	7.58	-34.48
O=C(C1=CC=CC=C1NCCC1=CC=C(Cl)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194837	0	48	-1.0	-42.04	405.61	7.87	-34.17
O=C(C1=CC=CC=C1NCCC1=CC=C(Cl)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194837	1	48	-1.0	-42.04	405.69	7.87	-34.17
CNC1=CC(Cl)=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194838	0	35	-1.0	-40.04	302.48	3.29	-36.75
CNC1=CC(Cl)=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194838	1	35	-1.0	-40.07	302.55	3.29	-36.78
O=C(C1=CC=NC(NC2CCC2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194839	0	41	-1.0	-43.55	327.95	3.69	-39.86
O=C(C1=CC=NC(NC2CCC2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194839	1	41	-1.0	-43.51	327.88	3.69	-39.82
CC(C)(C)OC(=O)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=N1	REAL300020194840	0	44	-1.0	-43.53	355.53	4.48	-39.05
CC(C)(C)OC(=O)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=N1	REAL300020194840	1	44	-1.0	-43.51	355.46	4.47	-39.04
O=C(N[C@H]1C[C@@H](C(=O)N2CCC(C3=N[N-]N=N3)C2)C1)OCC1=CC=CC=C1	REAL300020194841	0	48	-1.0	-45.99	400.34	4.76	-41.23
O=C(N[C@H]1C[C@@H](C(=O)N2CCC(C3=NN=N[N-]3)C2)C1)OCC1=CC=CC=C1	REAL300020194841	1	48	-1.0	-45.98	400.41	4.77	-41.21
CC(C)(O)C1CCC(C(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020194842	0	46	-1.0	-36.85	333.17	2.52	-34.33
CC(C)(O)C1CCC(C(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020194842	1	46	-1.0	-36.88	333.24	2.54	-34.34
O=C(CC1=CC=C(F)C=C1[N+](=O)[O-])N1CCC(C2=N[N-]N=N2)C1	REAL300020194843	0	35	-1.0	-47.41	310.49	5.29	-42.12
O=C(CC1=CC=C(F)C=C1[N+](=O)[O-])N1CCC(C2=NN=N[N-]2)C1	REAL300020194843	1	35	-1.0	-47.45	310.56	5.31	-42.14
CC(C)(C)OCC(=O)NC(C)(C)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194844	0	49	-1.0	-36.42	372.63	3.07	-33.35
CC(C)(C)OCC(=O)NC(C)(C)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194844	1	49	-1.0	-36.41	372.71	3.09	-33.32
CC(COCC(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020194845	0	43	-1.0	-46.02	353.52	6.48	-39.54
CC(COCC(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020194845	1	43	-1.0	-46.03	353.60	6.50	-39.53
O=C(COCCC1=CC=CC(F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194846	0	40	-1.0	-46.78	343.12	6.03	-40.75
O=C(COCCC1=CC=CC(F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194846	1	40	-1.0	-46.81	343.19	6.04	-40.77
CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1CC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194847	0	53	-1.0	-43.59	409.49	4.21	-39.38
CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1CC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194847	1	53	-1.0	-43.57	409.57	4.21	-39.36
O=C(C1CCOC2=CC=C(Br)C=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020194848	0	38	-1.0	-46.19	329.88	4.91	-41.28
O=C(C1CCOC2=CC=C(Br)C=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020194848	1	38	-1.0	-46.19	329.96	4.93	-41.26
CNC(=O)NC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(Cl)=C1	REAL300020194849	0	39	-1.0	-52.30	339.27	1.72	-50.58
CNC(=O)NC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(Cl)=C1	REAL300020194849	1	39	-1.0	-52.28	339.35	1.72	-50.56
O=C(CN1N=C2CCCCN2C1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194850	0	40	-1.0	-54.83	331.22	4.12	-50.71
O=C(CN1N=C2CCCCN2C1=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194850	1	40	-1.0	-54.81	331.29	4.13	-50.68
O=C(C1=CC(F)=CC2=CC=NC=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020194851	0	35	-1.0	-43.55	299.03	4.22	-39.33
O=C(C1=CC(F)=CC2=CC=NC=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020194851	1	35	-1.0	-43.55	298.96	4.22	-39.33
CC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=NN1C1=CC=CC(C(F)(F)F)=C1	REAL300020194852	0	43	-1.0	-47.18	373.77	6.81	-40.37
CC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=NN1C1=CC=CC(C(F)(F)F)=C1	REAL300020194852	1	43	-1.0	-47.20	373.84	6.82	-40.38
O=C(C1=CC2=C(S1)C(=O)NC=C2)N1CCC(C2=N[N-]N=N2)C1	REAL300020194853	0	33	-1.0	-47.63	294.52	2.11	-45.52
O=C(C1=CC2=C(S1)C(=O)NC=C2)N1CCC(C2=NN=N[N-]2)C1	REAL300020194853	1	33	-1.0	-47.65	294.60	2.11	-45.54
O=C(C1=CN=C(C2=CC=CC=C2Cl)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194854	0	38	-1.0	-43.93	331.54	5.83	-38.10
O=C(C1=CN=C(C2=CC=CC=C2Cl)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194854	1	38	-1.0	-43.97	331.47	5.82	-38.15
CC1=NN=NN1C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020194855	0	38	-1.0	-49.52	317.38	3.59	-45.93
CC1=NN=NN1C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020194855	1	38	-1.0	-49.53	317.46	3.60	-45.93
CC1=CC([N+](=O)[O-])=NN1CC1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020194856	0	45	-1.0	-47.66	380.17	7.23	-40.43
CC1=CC([N+](=O)[O-])=NN1CC1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020194856	1	45	-1.0	-47.69	380.24	7.24	-40.45
CC1=NN(CC2CC2)C(C)=C1CC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194857	0	46	-1.0	-47.91	376.10	5.98	-41.93
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CCC1=[NH+]C=CN1C(C)CC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194866	1	43	0.0	-58.48	342.33	5.72	-52.76
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CCC(CC)(COCC1=CC=CC=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194873	0	52	-1.0	-42.01	393.54	6.62	-35.39
CCC(CC)(COCC1=CC=CC=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194873	1	52	-1.0	-41.99	393.61	6.63	-35.36
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COC1=CC=C(CN2N=NC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C2C)C=C1	REAL300020194875	0	46	-1.0	-45.10	377.33	4.06	-41.04
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O=C(C1=CN=C(C2=CC=CC(Cl)=C2)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194878	1	36	-1.0	-41.64	333.82	5.17	-36.47
O=C(C1=CN=C(C2=C(F)C=CC=C2F)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194879	0	36	-1.0	-45.97	325.33	4.91	-41.06
O=C(C1=CN=C(C2=C(F)C=CC=C2F)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194879	1	36	-1.0	-45.96	325.26	4.91	-41.05
CC(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=C(Cl)C=C1	REAL300020194880	0	36	-1.0	-43.31	313.57	5.67	-37.64
CC(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=C(Cl)C=C1	REAL300020194880	1	36	-1.0	-43.35	313.64	5.68	-37.67
CC(C)OC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1Br	REAL300020194881	0	40	-1.0	-40.50	337.01	5.02	-35.48
CC(C)OC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1Br	REAL300020194881	1	40	-1.0	-40.49	337.08	5.03	-35.46
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CC(C)(C)OC(=O)N[C@@H]1C[C@H]1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194884	0	44	-1.0	-48.66	356.91	2.24	-46.42
CC(C)(C)OC(=O)N[C@@H]1C[C@H]1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194884	1	44	-1.0	-48.69	356.99	2.25	-46.44
CC1=CC=CC(C2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)N2C)=C1	REAL300020194885	0	44	-1.0	-43.81	348.79	6.95	-36.86
CC1=CC=CC(C2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)N2C)=C1	REAL300020194885	1	44	-1.0	-43.85	348.86	6.96	-36.89
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O=C(C1=CC=CC(N2C=CNC2=O)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194887	0	38	-1.0	-62.62	313.14	3.71	-58.91
O=C(C1=CC=CC(N2C=CNC2=O)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194887	1	38	-1.0	-62.65	313.21	3.72	-58.93
O=C(C1=CC=C(N2C=CNC2=O)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194888	0	38	-1.0	-54.53	313.13	3.70	-50.83
O=C(C1=CC=C(N2C=CNC2=O)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194888	1	38	-1.0	-54.55	313.20	3.72	-50.83
CC(C)(C)OC(=O)NCC(F)(F)CC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194889	0	46	-1.0	-49.90	378.72	2.56	-47.34
CC(C)(C)OC(=O)NCC(F)(F)CC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194889	1	46	-1.0	-49.93	378.79	2.56	-47.37
O=C(CC1=CC=C2OC(F)(F)OC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194890	0	36	-1.0	-46.97	320.33	3.88	-43.09
O=C(CC1=CC=C2OC(F)(F)OC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194890	1	36	-1.0	-46.98	320.40	3.88	-43.10
CC(C)(C)OC(=O)[C@@H]1CC[C@H](C(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020194891	0	48	-1.0	-49.51	369.07	6.17	-43.34
CC(C)(C)OC(=O)[C@@H]1CC[C@H](C(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020194891	1	48	-1.0	-49.50	369.14	6.19	-43.31
O=C(CC12CCCCC1C2(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020194892	0	40	-1.0	-41.08	314.76	5.50	-35.58
O=C(CC12CCCCC1C2(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020194892	1	40	-1.0	-41.13	314.83	5.52	-35.61
CC1=CC(Br)=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1C	REAL300020194893	0	36	-1.0	-40.71	310.65	5.49	-35.22
CC1=CC(Br)=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1C	REAL300020194893	1	36	-1.0	-40.74	310.73	5.51	-35.23
O=C([C@H]1CC[C@H](C2CCC2)CC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194894	0	46	-1.0	-42.16	349.44	6.78	-35.38
O=C([C@H]1CC[C@H](C2CCC2)CC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194894	1	46	-1.0	-42.16	349.51	6.79	-35.37
COC1=CC=C([C@@H]2C[C@H]2CC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020194895	0	44	-1.0	-46.86	358.54	6.20	-40.66
COC1=CC=C([C@@H]2C[C@H]2CC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020194895	1	44	-1.0	-46.85	358.61	6.20	-40.65
O=C(CC1=CC=C(OCC2=CC=CC=C2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194896	0	47	-1.0	-46.70	391.98	8.06	-38.64
O=C(CC1=CC=C(OCC2=CC=CC=C2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194896	1	47	-1.0	-46.67	392.06	8.07	-38.60
O=C(C1=C2C(Cl)=CC=CN2N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194897	0	33	-1.0	-49.35	287.53	3.90	-45.45
O=C(C1=C2C(Cl)=CC=CN2N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194897	1	33	-1.0	-49.34	287.45	3.90	-45.44
CC(=O)NC(CCC(C)C)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194898	0	45	-1.0	-51.57	349.80	4.17	-47.40
CC(=O)NC(CCC(C)C)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194898	1	45	-1.0	-51.59	349.88	4.18	-47.41
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=CC(Br)=C1F	REAL300020194899	0	33	-1.0	-41.17	298.25	4.96	-36.21
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=CC(Br)=C1F	REAL300020194899	1	33	-1.0	-41.17	298.32	4.96	-36.21
O=C(C1=CC2=NC(Cl)=CC=C2S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194900	0	32	-1.0	-44.14	301.08	3.70	-40.44
O=C(C1=CC2=NC(Cl)=CC=C2S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194900	1	32	-1.0	-44.18	301.01	3.68	-40.50
O=C(C1=CC=C(F)C2=CC=NC=C12)N1CCC(C2=NN=N[N-]2)C1	REAL300020194901	0	35	-1.0	-43.32	298.31	4.21	-39.11
O=C(C1=CC=C(F)C2=CC=NC=C12)N1CCC(C2=N[N-]N=N2)C1	REAL300020194901	1	35	-1.0	-43.32	298.23	4.20	-39.12
O=C(C1=C(Cl)N=C2C=C(Cl)C=CN21)N1CCC(C2=NN=N[N-]2)C1	REAL300020194902	0	33	-1.0	-40.92	320.23	5.23	-35.69
O=C(C1=C(Cl)N=C2C=C(Cl)C=CN21)N1CCC(C2=N[N-]N=N2)C1	REAL300020194902	1	33	-1.0	-40.91	320.16	5.22	-35.69
O=C(CCC1=CSC=C1Br)N1CCC(C2=N[N-]N=N2)C1	REAL300020194903	0	33	-1.0	-42.15	311.51	5.05	-37.10
O=C(CCC1=CSC=C1Br)N1CCC(C2=NN=N[N-]2)C1	REAL300020194903	1	33	-1.0	-42.15	311.59	5.06	-37.09
O=C(C1=CC(Br)=CC(N2CCCC2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194904	0	42	-1.0	-40.77	349.05	4.65	-36.12
O=C(C1=CC(Br)=CC(N2CCCC2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194904	1	42	-1.0	-40.79	349.12	4.66	-36.13
O=C(CC(N1C=CC=N1)C(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020194905	0	36	-1.0	-46.49	313.48	3.82	-42.67
O=C(CC(N1C=CC=N1)C(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020194905	1	36	-1.0	-46.42	313.41	3.80	-42.62
O=C(C1=CC=CC(S(=O)(=O)C(F)(F)F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194906	0	36	-1.0	-44.10	330.50	1.69	-42.41
O=C(C1=CC=CC(S(=O)(=O)C(F)(F)F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194906	1	36	-1.0	-44.08	330.57	1.70	-42.38
O=C(C1=C(Cl)N=C2C=CSC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194907	0	32	-1.0	-43.41	300.14	3.61	-39.80
O=C(C1=C(Cl)N=C2C=CSC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194907	1	32	-1.0	-43.39	300.05	3.60	-39.79
O=C(C1CCC(=O)N(C2=CC=CC(F)=C2)C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194908	0	44	-1.0	-45.73	365.41	5.71	-40.02
O=C(C1CCC(=O)N(C2=CC=CC(F)=C2)C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194908	1	44	-1.0	-45.70	365.49	5.72	-39.98
O=C(C1=CN=NN1C1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194909	0	36	-1.0	-42.76	301.06	3.39	-39.37
O=C(C1=CN=NN1C1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194909	1	36	-1.0	-42.80	300.99	3.38	-39.42
CC(C)C1=CC=C(C2(C(=O)N3CCC(C4=N[N-]N=N4)C3)CCCCC2)C=C1	REAL300020194910	0	55	-1.0	-43.53	398.97	8.68	-34.85
CC(C)C1=CC=C(C2(C(=O)N3CCC(C4=NN=N[N-]4)C3)CCCCC2)C=C1	REAL300020194910	1	55	-1.0	-43.49	399.05	8.69	-34.80
O=C(C1COCC1C1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194911	0	41	-1.0	-47.48	322.13	4.36	-43.12
O=C(C1COCC1C1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194911	1	41	-1.0	-47.44	322.20	4.37	-43.07
CC1=CC(C=CC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1OC(F)(F)F	REAL300020194912	0	41	-1.0	-43.05	355.83	5.79	-37.26
CC1=CC(C=CC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1OC(F)(F)F	REAL300020194912	1	41	-1.0	-43.04	355.91	5.80	-37.24
COC(=O)C1=CC=C2CCCC(CC(=O)N3CCC(C4=N[N-]N=N4)C3)C2=C1	REAL300020194913	0	49	-1.0	-45.94	389.81	7.64	-38.30
COC(=O)C1=CC=C2CCCC(CC(=O)N3CCC(C4=NN=N[N-]4)C3)C2=C1	REAL300020194913	1	49	-1.0	-45.93	389.88	7.66	-38.27
O=C(C1=C(Cl)C=CC=C1Br)N1CCC(C2=N[N-]N=N2)C1	REAL300020194914	0	30	-1.0	-44.56	295.64	4.86	-39.70
O=C(C1=C(Cl)C=CC=C1Br)N1CCC(C2=NN=N[N-]2)C1	REAL300020194914	1	30	-1.0	-44.57	295.72	4.88	-39.69
CC(C)(C)OC(=O)C1(C(=O)N2CCC(C3=N[N-]N=N3)C2)CC=CC1	REAL300020194915	0	46	-1.0	-40.48	354.30	5.72	-34.76
CC(C)(C)OC(=O)C1(C(=O)N2CCC(C3=NN=N[N-]3)C2)CC=CC1	REAL300020194915	1	46	-1.0	-40.47	354.37	5.74	-34.73
CC(C)(C)OC(=O)C(C(=O)N1CCC(C2=N[N-]N=N2)C1)C(C)(C)C	REAL300020194916	0	50	-1.0	-46.74	376.64	6.65	-40.09
CC(C)(C)OC(=O)C(C(=O)N1CCC(C2=NN=N[N-]2)C1)C(C)(C)C	REAL300020194916	1	50	-1.0	-46.77	376.72	6.66	-40.11
CC(C)(C)OC(=O)C(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1CC1	REAL300020194917	0	45	-1.0	-45.41	360.86	5.80	-39.61
CC(C)(C)OC(=O)C(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1CC1	REAL300020194917	1	45	-1.0	-45.45	360.93	5.81	-39.64
CC(C)(C)OC(=O)C1(C(=O)N2CCC(C3=N[N-]N=N3)C2)CC2CCC1C2	REAL300020194918	0	52	-1.0	-40.91	381.27	6.59	-34.32
CC(C)(C)OC(=O)C1(C(=O)N2CCC(C3=NN=N[N-]3)C2)CC2CCC1C2	REAL300020194918	1	52	-1.0	-40.89	381.35	6.61	-34.28
CC(C)(C)OC(=O)C1CCC(C(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020194919	0	51	-1.0	-40.62	380.23	6.54	-34.08
CC(C)(C)OC(=O)C1CCC(C(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020194919	1	51	-1.0	-40.64	380.31	6.56	-34.08
CC1(C(=O)N2CCC(C3=N[N-]N=N3)C2)CC1(Br)Br	REAL300020194920	0	30	-1.0	-40.29	283.36	3.94	-36.35
CC1(C(=O)N2CCC(C3=NN=N[N-]3)C2)CC1(Br)Br	REAL300020194920	1	30	-1.0	-40.29	283.43	3.95	-36.34
COC1(C(=O)N2CCC(C3=N[N-]N=N3)C2)CCC(F)(F)CC1	REAL300020194921	0	40	-1.0	-41.36	309.96	3.37	-37.99
COC1(C(=O)N2CCC(C3=NN=N[N-]3)C2)CCC(F)(F)CC1	REAL300020194921	1	40	-1.0	-41.36	310.03	3.38	-37.98
CN1C=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1C1=CC=CC=C1	REAL300020194922	0	41	-1.0	-48.34	328.07	6.54	-41.80
CN1C=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1C1=CC=CC=C1	REAL300020194922	1	41	-1.0	-48.31	328.14	6.55	-41.76
CCCCCC1=NNC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020194923	0	42	-1.0	-40.56	340.39	4.19	-36.37
CCCCCC1=NNC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020194923	1	42	-1.0	-40.59	340.46	4.20	-36.39
CC(C)[C@H](NCC(F)(F)F)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194924	0	40	-1.0	-43.93	317.92	3.29	-40.64
CC(C)[C@H](NCC(F)(F)F)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194924	1	40	-1.0	-43.91	317.99	3.31	-40.60
CC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C(C)N1C1CCOCC1	REAL300020194925	0	48	-1.0	-45.26	359.34	4.90	-40.36
CC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C(C)N1C1CCOCC1	REAL300020194925	1	48	-1.0	-45.29	359.41	4.90	-40.39
O=C(C1=CC(C2=CC=C(F)C=C2)=NO1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194926	0	36	-1.0	-39.09	318.36	5.00	-34.09
O=C(C1=CC(C2=CC=C(F)C=C2)=NO1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194926	1	36	-1.0	-39.11	318.28	5.00	-34.11
CC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC(NCC(F)(F)F)=N1	REAL300020194927	0	40	-1.0	-42.85	342.47	3.35	-39.50
CC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC(NCC(F)(F)F)=N1	REAL300020194927	1	40	-1.0	-42.88	342.55	3.35	-39.53
CC1=CC([N+](=O)[O-])=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020194928	0	34	-1.0	-43.30	299.84	4.00	-39.30
CC1=CC([N+](=O)[O-])=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020194928	1	34	-1.0	-43.29	299.91	4.02	-39.27
CC(C)(C)OC(=O)NC1=CN(C(C)(C)C(=O)N2CCC(C3=N[N-]N=N3)C2)N=C1	REAL300020194929	0	53	-1.0	-50.82	409.13	3.54	-47.28
CC(C)(C)OC(=O)NC1=CN(C(C)(C)C(=O)N2CCC(C3=NN=N[N-]3)C2)N=C1	REAL300020194929	1	53	-1.0	-50.84	409.21	3.55	-47.29
CC1(C)CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)CC(C)(C)C1	REAL300020194930	0	48	-1.0	-35.62	352.13	6.08	-29.54
CC1(C)CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)CC(C)(C)C1	REAL300020194930	1	48	-1.0	-35.63	352.20	6.09	-29.54
CC(C)(C)N1N=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1Br	REAL300020194931	0	39	-1.0	-43.27	325.22	3.62	-39.65
CC(C)(C)N1N=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1Br	REAL300020194931	1	39	-1.0	-43.23	325.15	3.61	-39.62
CN1N=CC(C2CCC2)=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194932	0	40	-1.0	-40.91	329.51	4.32	-36.59
CN1N=CC(C2CCC2)=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194932	1	40	-1.0	-40.88	329.44	4.30	-36.58
C[C@@H](C(=O)N1CCC(C2=N[N-]N=N2)C1)N(C)C(=O)OC(C)(C)C	REAL300020194933	0	46	-1.0	-42.93	356.72	3.83	-39.10
C[C@@H](C(=O)N1CCC(C2=NN=N[N-]2)C1)N(C)C(=O)OC(C)(C)C	REAL300020194933	1	46	-1.0	-42.96	356.79	3.84	-39.12
CC(C)(C)OC(=O)N1CC2=C(C1)SC(C(=O)N1CCC(C3=N[N-]N=N3)C1)=C2	REAL300020194934	0	48	-1.0	-44.21	393.95	5.22	-38.99
CC(C)(C)OC(=O)N1CC2=C(C1)SC(C(=O)N1CCC(C3=NN=N[N-]3)C1)=C2	REAL300020194934	1	48	-1.0	-44.25	394.02	5.22	-39.03
COC(=O)C1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C(C)O1	REAL300020194935	0	36	-1.0	-41.65	307.87	3.25	-38.40
COC(=O)C1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C(C)O1	REAL300020194935	1	36	-1.0	-41.63	307.94	3.27	-38.36
O=C(C1=CC(Cl)=C(Br)C=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194936	0	29	-1.0	-38.94	286.15	3.81	-35.13
O=C(C1=CC(Cl)=C(Br)C=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194936	1	29	-1.0	-38.91	286.08	3.80	-35.11
O=C(C1=C2NC(CO)=NC2=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194937	0	37	-1.0	-47.83	312.95	-0.04	-47.87
O=C(C1=C2NC(CO)=NC2=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194937	1	37	-1.0	-47.84	313.02	-0.03	-47.87
O=C(CC1=CN=CC2=CC=CC=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020194938	0	38	-1.0	-48.00	318.72	5.13	-42.87
O=C(CC1=CN=CC2=CC=CC=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020194938	1	38	-1.0	-47.96	318.65	5.12	-42.84
CC(=CC(=O)N1CCC(C2=N[N-]N=N2)C1)CN1CCOCC1	REAL300020194939	0	43	-1.0	-43.01	337.54	1.47	-41.54
CC(=CC(=O)N1CCC(C2=NN=N[N-]2)C1)CN1CCOCC1	REAL300020194939	1	43	-1.0	-43.01	337.61	1.49	-41.52
O=C(C1=NN=C(C2=CC=CO2)O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194940	0	32	-1.0	-42.68	289.61	-1.42	-44.10
O=C(C1=NN=C(C2=CC=CO2)O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194940	1	32	-1.0	-42.69	289.69	-1.39	-44.08
O=C(C1=CC=CC2=C1OC(F)(F)O2)N1CCC(C2=N[N-]N=N2)C1	REAL300020194941	0	33	-1.0	-48.63	294.18	2.85	-45.78
O=C(C1=CC=CC2=C1OC(F)(F)O2)N1CCC(C2=NN=N[N-]2)C1	REAL300020194941	1	33	-1.0	-48.66	294.26	2.86	-45.80
CN(C)C1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC(C(F)(F)F)=C1	REAL300020194942	0	41	-1.0	-41.18	339.31	4.93	-36.25
CN(C)C1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC(C(F)(F)F)=C1	REAL300020194942	1	41	-1.0	-41.20	339.39	4.94	-36.26
O=C(C1=CC=CC(SC(F)(F)F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194943	0	34	-1.0	-40.53	306.42	5.03	-35.50
O=C(C1=CC=CC(SC(F)(F)F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194943	1	34	-1.0	-40.45	306.49	5.05	-35.40
CC1=C(CC(=O)N2CCC(C3=N[N-]N=N3)C2)SC(SCC(C)C)=N1	REAL300020194944	0	45	-1.0	-45.56	389.70	5.97	-39.59
CC1=C(CC(=O)N2CCC(C3=NN=N[N-]3)C2)SC(SCC(C)C)=N1	REAL300020194944	1	45	-1.0	-45.59	389.77	5.97	-39.62
CC1=C2C=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)NC2=CC=C1Br	REAL300020194945	0	37	-1.0	-41.30	323.09	5.25	-36.05
CC1=C2C=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)NC2=CC=C1Br	REAL300020194945	1	37	-1.0	-41.33	323.17	5.26	-36.07
COC1=CC=CC=C1C(F)(F)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194946	0	37	-1.0	-42.28	314.23	4.07	-38.21
COC1=CC=CC=C1C(F)(F)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194946	1	37	-1.0	-42.27	314.30	4.08	-38.19
O=C(C1=C(F)C=CC2=CC=NC=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020194947	0	35	-1.0	-48.54	306.42	4.37	-44.17
O=C(C1=C(F)C=CC2=CC=NC=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020194947	1	35	-1.0	-48.54	306.35	4.36	-44.18
NC(=O)N=NC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020194948	0	36	-1.0	-47.80	311.17	-1.28	-49.08
NC(=O)N=NC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020194948	1	36	-1.0	-47.86	311.25	-1.26	-49.12
O=C(C1=CNC(=S)N1C1CC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194949	0	35	-1.0	-48.55	294.43	3.83	-44.72
O=C(C1=CNC(=S)N1C1CC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194949	1	35	-1.0	-48.54	294.50	3.84	-44.70
O=C(C=CC1=CC=C(C2OCCO2)O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194950	0	40	-1.0	-46.13	342.28	3.47	-42.66
O=C(C=CC1=CC=C(C2OCCO2)O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194950	1	40	-1.0	-46.14	342.35	3.49	-42.65
O=C(C1=COC(C2=CC=CN=C2)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194951	0	35	-1.0	-43.72	308.17	1.33	-42.39
O=C(C1=COC(C2=CC=CN=C2)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194951	1	35	-1.0	-43.71	308.10	1.33	-42.38
O=C(CC1=CC=C(NC(=O)C(F)(F)F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194952	0	40	-1.0	-46.54	356.26	4.07	-42.47
O=C(CC1=CC=C(NC(=O)C(F)(F)F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194952	1	40	-1.0	-46.54	356.33	4.08	-42.46
CC(C)(C)OC(=O)COC1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020194953	0	49	-1.0	-48.31	390.81	6.45	-41.86
CC(C)(C)OC(=O)COC1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020194953	1	49	-1.0	-48.38	390.88	6.47	-41.91
COCCCN1N=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=CC1=O	REAL300020194954	0	42	-1.0	-42.53	352.01	2.05	-40.48
COCCCN1N=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=CC1=O	REAL300020194954	1	42	-1.0	-42.57	352.08	2.07	-40.50
CC(C)(C)N1C=C(Br)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020194955	0	39	-1.0	-44.50	337.64	4.63	-39.87
CC(C)(C)N1C=C(Br)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020194955	1	39	-1.0	-44.52	337.57	4.62	-39.90
O=C(C1=C2C=CSC2=NC=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194956	0	31	-1.0	-41.07	278.32	3.78	-37.29
O=C(C1=C2C=CSC2=NC=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194956	1	31	-1.0	-41.03	278.24	3.78	-37.25
O=C([C@@H]1CCCC[C@@H]1N1CCCC1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194957	0	47	-1.0	-48.39	342.51	5.11	-43.28
O=C([C@@H]1CCCC[C@@H]1N1CCCC1=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194957	1	47	-1.0	-48.39	342.58	5.12	-43.27
O=C([C@@H]1CCO[C@H]1C1=CN=CC(Br)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194958	0	40	-1.0	-43.00	345.13	3.56	-39.44
O=C([C@@H]1CCO[C@H]1C1=CN=CC(Br)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194958	1	40	-1.0	-42.99	345.06	3.56	-39.43
O=C(C1=C(C2=NOC=C2)OC=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194959	0	32	-1.0	-51.58	282.47	0.87	-50.71
O=C(C1=C(C2=NOC=C2)OC=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194959	1	32	-1.0	-51.61	282.40	0.86	-50.75
CC(C)C[C@H](CNC(=O)OC(C)(C)C)CC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194960	0	58	-1.0	-44.85	435.08	6.00	-38.85
CC(C)C[C@H](CNC(=O)OC(C)(C)C)CC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194960	1	58	-1.0	-44.91	435.15	6.01	-38.90
CC(C)(C)OC(=O)CC1(C(=O)N2CCC(C3=N[N-]N=N3)C2)CCOCC1	REAL300020194961	0	52	-1.0	-50.10	377.90	4.81	-45.29
CC(C)(C)OC(=O)CC1(C(=O)N2CCC(C3=NN=N[N-]3)C2)CCOCC1	REAL300020194961	1	52	-1.0	-50.10	377.97	4.83	-45.27
CN1C(=O)C(C)(C)C2=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=CC=C21	REAL300020194962	0	44	-1.0	-44.98	353.99	5.02	-39.96
CN1C(=O)C(C)(C)C2=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=CC=C21	REAL300020194962	1	44	-1.0	-45.06	354.07	5.04	-40.02
CC(C)(C)OC(=O)COC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020194963	0	49	-1.0	-48.76	390.72	6.45	-42.31
CC(C)(C)OC(=O)COC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020194963	1	49	-1.0	-48.83	390.79	6.47	-42.36
CC(C)(C)OC(=O)N1CC2(CCCC2)C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194964	0	54	-1.0	-54.70	407.43	6.02	-48.68
CC(C)(C)OC(=O)N1CC2(CCCC2)C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194964	1	54	-1.0	-54.71	407.50	6.04	-48.67
COC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1C(F)(F)F	REAL300020194965	0	37	-1.0	-42.79	316.94	3.94	-38.85
COC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1C(F)(F)F	REAL300020194965	1	37	-1.0	-42.85	317.01	3.96	-38.89
CC(C)(C)N1N=NC(CC(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020194966	0	40	-1.0	-50.72	334.10	2.34	-48.38
CC(C)(C)N1N=NC(CC(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020194966	1	40	-1.0	-50.74	334.17	2.35	-48.39
CNC1=CC=C(C(F)(F)F)C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194967	0	38	-1.0	-41.20	324.83	3.73	-37.47
CNC1=CC=C(C(F)(F)F)C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194967	1	38	-1.0	-41.26	324.90	3.75	-37.51
O=C(C1=CC(C2=CC=CC(Br)=C2)=NO1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194968	0	36	-1.0	-39.08	333.24	5.55	-33.53
O=C(C1=CC(C2=CC=CC(Br)=C2)=NO1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194968	1	36	-1.0	-39.07	333.17	5.54	-33.53
O=C(C1=CC(C2=CC=C(Br)C=C2)=NO1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194969	0	36	-1.0	-38.66	333.24	5.56	-33.10
O=C(C1=CC(C2=CC=C(Br)C=C2)=NO1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194969	1	36	-1.0	-38.68	333.16	5.55	-33.13
O=C(C1=CC2=CC(Cl)=CC=C2S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194970	0	33	-1.0	-40.91	305.93	5.66	-35.25
O=C(C1=CC2=CC(Cl)=CC=C2S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194970	1	33	-1.0	-40.92	306.00	5.67	-35.25
COC1=CC=C([C@@H]2C[C@H]2C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020194971	0	41	-1.0	-44.62	337.47	5.38	-39.24
COC1=CC=C([C@@H]2C[C@H]2C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020194971	1	41	-1.0	-44.68	337.54	5.39	-39.29
O=C(C1=CC=CO1)C1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020194972	0	39	-1.0	-46.32	329.28	5.20	-41.12
O=C(C1=CC=CO1)C1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020194972	1	39	-1.0	-46.29	329.35	5.21	-41.08
O=C(CC1=CC=C(C2CCCCC2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194973	0	49	-1.0	-43.94	382.56	8.58	-35.36
O=C(CC1=CC=C(C2CCCCC2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194973	1	49	-1.0	-43.90	382.64	8.59	-35.31
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(C(F)(F)F)CCCCC1	REAL300020194974	0	39	-1.0	-40.76	296.60	4.43	-36.33
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(C(F)(F)F)CCCCC1	REAL300020194974	1	39	-1.0	-40.74	296.67	4.43	-36.31
CN(C)C(=O)C1CCC(C(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020194975	0	46	-1.0	-41.05	351.16	3.99	-37.06
CN(C)C(=O)C1CCC(C(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020194975	1	46	-1.0	-41.07	351.23	4.00	-37.07
CC1=C(Br)C=NC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194976	0	32	-1.0	-39.92	285.87	3.03	-36.89
CC1=C(Br)C=NC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194976	1	32	-1.0	-39.93	285.94	3.03	-36.90
CC(C)[C@@H](C(=O)N1CCC(C2=N[N-]N=N2)C1)N1CC2=CC=CC=C2C1=O	REAL300020194977	0	47	-1.0	-59.50	370.23	7.91	-51.59
CC(C)[C@@H](C(=O)N1CCC(C2=NN=N[N-]2)C1)N1CC2=CC=CC=C2C1=O	REAL300020194977	1	47	-1.0	-59.47	370.30	7.92	-51.55
COC1=CC=C(OC(C)(C)C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020194978	0	44	-1.0	-44.08	340.40	3.66	-40.42
COC1=CC=C(OC(C)(C)C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020194978	1	44	-1.0	-44.05	340.47	3.66	-40.39
CC(C)CC(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=C(Cl)C=C1	REAL300020194979	0	45	-1.0	-42.87	373.32	7.63	-35.24
CC(C)CC(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=C(Cl)C=C1	REAL300020194979	1	45	-1.0	-42.89	373.40	7.64	-35.25
O=C(C1=CC=C2NC(=O)N(CC(F)(F)F)C2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020194980	0	40	-1.0	-47.48	348.62	3.77	-43.71
O=C(C1=CC=C2NC(=O)N(CC(F)(F)F)C2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020194980	1	40	-1.0	-47.47	348.69	3.79	-43.68
CC(C)N1C(=O)NC2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=C21	REAL300020194981	0	43	-1.0	-45.47	344.61	3.81	-41.66
CC(C)N1C(=O)NC2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=C21	REAL300020194981	1	43	-1.0	-45.47	344.68	3.83	-41.64
O=C(CC1=C(Cl)C=CC=C1Br)N1CCC(C2=N[N-]N=N2)C1	REAL300020194982	0	33	-1.0	-43.23	312.84	5.70	-37.53
O=C(CC1=C(Cl)C=CC=C1Br)N1CCC(C2=NN=N[N-]2)C1	REAL300020194982	1	33	-1.0	-43.22	312.92	5.70	-37.52
COC1=CC=CC(CC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1Cl	REAL300020194983	0	37	-1.0	-46.74	323.75	4.54	-42.20
COC1=CC=CC(CC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1Cl	REAL300020194983	1	37	-1.0	-46.75	323.82	4.54	-42.21
CC(C)(OC1=CC=C(Br)C=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194984	0	40	-1.0	-41.39	332.19	4.99	-36.40
CC(C)(OC1=CC=C(Br)C=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194984	1	40	-1.0	-41.37	332.26	4.99	-36.38
CCC(C(=O)N1CCC(C2=N[N-]N=N2)C1)N(C)C(=O)OC(C)(C)C	REAL300020194985	0	49	-1.0	-42.70	376.62	4.91	-37.79
CCC(C(=O)N1CCC(C2=NN=N[N-]2)C1)N(C)C(=O)OC(C)(C)C	REAL300020194985	1	49	-1.0	-42.77	376.70	4.92	-37.85
O=C(CCC1CC1(Cl)Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020194986	0	33	-1.0	-44.20	305.26	5.12	-39.08
O=C(CCC1CC1(Cl)Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020194986	1	33	-1.0	-44.21	305.33	5.13	-39.08
O=C(C(CC1COCCO1)C(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020194987	0	41	-1.0	-45.33	335.67	2.88	-42.45
O=C(C(CC1COCCO1)C(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020194987	1	41	-1.0	-45.34	335.75	2.89	-42.45
O=C(C1=C(C(F)(F)F)N=C2CCCCN21)N1CCC(C2=N[N-]N=N2)C1	REAL300020194988	0	40	-1.0	-43.75	342.78	4.89	-38.86
O=C(C1=C(C(F)(F)F)N=C2CCCCN21)N1CCC(C2=NN=N[N-]2)C1	REAL300020194988	1	40	-1.0	-43.75	342.85	4.90	-38.85
CC(C)C[C@H](NCC(F)(F)F)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194989	0	43	-1.0	-44.49	345.80	2.66	-41.83
CC(C)C[C@H](NCC(F)(F)F)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194989	1	43	-1.0	-44.54	345.87	2.67	-41.87
CC(C)(C)OC(=O)N1CC[C@H](CC(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020194990	0	50	-1.0	-52.48	390.36	4.84	-47.64
CC(C)(C)OC(=O)N1CC[C@H](CC(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020194990	1	50	-1.0	-52.51	390.44	4.86	-47.65
O=C(CC1=CC=C(Br)C=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020194991	0	33	-1.0	-45.54	307.48	5.44	-40.10
O=C(CC1=CC=C(Br)C=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020194991	1	33	-1.0	-45.53	307.55	5.45	-40.08
O=C(C1=CC(N2C=CN=N2)=CC=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020194992	0	36	-1.0	-53.20	312.47	3.66	-49.54
O=C(C1=CC(N2C=CN=N2)=CC=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020194992	1	36	-1.0	-53.23	312.39	3.65	-49.58
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(N2C=NN=N2)CCOCC1	REAL300020194993	0	39	-1.0	-40.46	304.21	1.67	-38.79
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(N2C=NN=N2)CCOCC1	REAL300020194993	1	39	-1.0	-40.44	304.13	1.67	-38.77
CC(C)N(CC(=O)N1CCC(C2=N[N-]N=N2)C1)C(=O)OC(C)(C)C	REAL300020194994	0	49	-1.0	-48.84	378.18	5.10	-43.74
CC(C)N(CC(=O)N1CCC(C2=NN=N[N-]2)C1)C(=O)OC(C)(C)C	REAL300020194994	1	49	-1.0	-48.82	378.26	5.11	-43.71
CC(=O)C1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1OC(C)C	REAL300020194995	0	45	-1.0	-46.28	358.42	6.09	-40.19
CC(=O)C1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1OC(C)C	REAL300020194995	1	45	-1.0	-46.25	358.50	6.09	-40.16
CC(C)(C)OC(=O)N1CC2(CCOCC2)C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020194996	0	55	-1.0	-53.94	410.39	3.68	-50.26
CC(C)(C)OC(=O)N1CC2(CCOCC2)C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020194996	1	55	-1.0	-53.93	410.47	3.69	-50.24
CN1C=C(C2C[N@H+](C)CCC2C(=O)N2CCC(C3=NN=N[N-]3)C2)C=N1	REAL300020194997	0	49	0.0	-70.29	368.63	4.92	-65.37
CN1C=C(C2C[N@@H+](C)CCC2C(=O)N2CCC(C3=NN=N[N-]3)C2)C=N1	REAL300020194997	1	49	0.0	-67.73	360.94	4.50	-63.23
CN1C=C(C2C[N@H+](C)CCC2C(=O)N2CCC(C3=N[N-]N=N3)C2)C=N1	REAL300020194997	1	49	0.0	-70.32	368.56	4.90	-65.42
CN1C=C(C2C[N@@H+](C)CCC2C(=O)N2CCC(C3=N[N-]N=N3)C2)C=N1	REAL300020194997	1	49	0.0	-67.74	360.87	4.50	-63.24
CC(C)[N@@H+]1CCC(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(C2=CN(C)N=C2)C1	REAL300020194998	0	55	0.0	-71.56	416.75	6.40	-65.16
CC(C)[N@H+]1CCC(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(C2=CN(C)N=C2)C1	REAL300020194998	1	55	0.0	-67.17	402.69	6.08	-61.09
CC(C)[N@@H+]1CCC(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(C2=CN(C)N=C2)C1	REAL300020194998	1	55	0.0	-71.51	416.67	6.40	-65.11
CC(C)[N@H+]1CCC(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(C2=CN(C)N=C2)C1	REAL300020194998	1	55	0.0	-67.19	402.62	6.07	-61.12
NC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=NN1CC1=CC=CC=C1	REAL300020194999	0	42	-1.0	-44.68	344.99	4.31	-40.37
NC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=NN1CC1=CC=CC=C1	REAL300020194999	1	42	-1.0	-44.61	344.92	4.30	-40.31
CC1=CC=NC(NC2=CC=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C2)=N1	REAL300020195000	0	43	-1.0	-46.62	353.15	6.82	-39.80
CC1=CC=NC(NC2=CC=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C2)=N1	REAL300020195000	1	43	-1.0	-46.57	353.07	6.80	-39.77
O=C(N1CCC(C2=N[N-]N=N2)C1)C(F)(F)C1=CC=C(Br)C=C1	REAL300020195001	0	33	-1.0	-37.66	308.31	5.29	-32.37
O=C(N1CCC(C2=NN=N[N-]2)C1)C(F)(F)C1=CC=C(Br)C=C1	REAL300020195001	1	33	-1.0	-37.69	308.38	5.30	-32.39
O=C(C1=CC(Cl)=CC2=CC=CC=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020195002	0	36	-1.0	-43.05	314.32	6.47	-36.58
O=C(C1=CC(Cl)=CC2=CC=CC=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020195002	1	36	-1.0	-43.04	314.40	6.48	-36.56
O=C(C1=CC=CN2C=C(C(F)(F)F)N=C12)N1CCC(C2=NN=N[N-]2)C1	REAL300020195003	0	36	-1.0	-58.05	328.64	5.57	-52.48
O=C(C1=CC=CN2C=C(C(F)(F)F)N=C12)N1CCC(C2=N[N-]N=N2)C1	REAL300020195003	1	36	-1.0	-58.07	328.56	5.55	-52.52
CC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C(C)N1C1=CN(C)N=C1	REAL300020195004	0	44	-1.0	-47.89	357.06	5.28	-42.61
CC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C(C)N1C1=CN(C)N=C1	REAL300020195004	1	44	-1.0	-47.87	356.98	5.27	-42.60
CC1=NC(C2=CC=CS2)=C(CC(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020195005	0	39	-1.0	-46.14	352.19	5.10	-41.04
CC1=NC(C2=CC=CS2)=C(CC(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020195005	1	39	-1.0	-46.14	352.12	5.09	-41.05
O=C(C1=CC=C(NC2=[NH+]CCC2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195006	0	43	0.0	-67.22	337.75	4.15	-63.07
O=C(C1=CC=C(NC2=[NH+]CCC2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195006	1	43	0.0	-67.25	337.82	4.16	-63.09
O=C(C1=CC=CC(NCC2=CC=CC=N2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195007	0	44	-1.0	-46.03	361.47	4.34	-41.69
O=C(C1=CC=CC(NCC2=CC=CC=N2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195007	1	44	-1.0	-46.05	361.40	4.33	-41.72
NC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC(Br)=N1	REAL300020195008	0	31	-1.0	-40.75	281.76	1.09	-39.66
NC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC(Br)=N1	REAL300020195008	1	31	-1.0	-40.72	281.69	1.09	-39.63
O=C(CN1C2=CC=CC=C2SC2=CC=CC=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020195009	0	44	-1.0	-45.97	368.56	8.12	-37.85
O=C(CN1C2=CC=CC=C2SC2=CC=CC=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020195009	1	44	-1.0	-46.00	368.63	8.13	-37.87
COC1=CC(OC)=C2C(=O)C(C(=O)N3CCC(C4=N[N-]N=N4)C3)=CNC2=C1	REAL300020195010	0	44	-1.0	-63.91	368.25	3.65	-60.26
COC1=CC(OC)=C2C(=O)C(C(=O)N3CCC(C4=NN=N[N-]4)C3)=CNC2=C1	REAL300020195010	1	44	-1.0	-63.96	368.32	3.66	-60.30
O=C(CC1NC(=O)C2=CC=CC=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020195011	0	38	-1.0	-50.49	320.38	2.56	-47.93
O=C(CC1NC(=O)C2=CC=CC=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020195011	1	38	-1.0	-50.51	320.45	2.56	-47.95
CC(C(=O)N1CCC(C2=N[N-]N=N2)C1)C(O)CN(C)C(=O)OC(C)(C)C	REAL300020195012	0	53	-1.0	-53.91	412.32	2.15	-51.76
CC(C(=O)N1CCC(C2=NN=N[N-]2)C1)C(O)CN(C)C(=O)OC(C)(C)C	REAL300020195012	1	53	-1.0	-53.91	412.40	2.17	-51.74
CS(=O)(=O)N1CCC[C@H](C(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020195013	0	41	-1.0	-46.72	336.31	0.62	-46.10
CS(=O)(=O)N1CCC[C@H](C(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020195013	1	41	-1.0	-46.69	336.38	0.62	-46.07
COC1=CC=C(CC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1OC(F)F	REAL300020195014	0	41	-1.0	-49.75	349.24	4.25	-45.50
COC1=CC=C(CC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1OC(F)F	REAL300020195014	1	41	-1.0	-49.73	349.31	4.26	-45.47
CC1=CC=CC(CC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1Br	REAL300020195015	0	36	-1.0	-43.98	317.13	5.85	-38.13
CC1=CC=CC(CC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1Br	REAL300020195015	1	36	-1.0	-44.01	317.20	5.85	-38.16
O=C(C1=CC=C(C(=O)N2CCOCC2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195016	0	45	-1.0	-47.76	356.26	3.07	-44.69
O=C(C1=CC=C(C(=O)N2CCOCC2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195016	1	45	-1.0	-47.77	356.33	3.08	-44.69
O=C(C1=CC=C(CN2C=CN=N2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195017	0	39	-1.0	-53.52	327.75	4.01	-49.51
O=C(C1=CC=C(CN2C=CN=N2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195017	1	39	-1.0	-53.50	327.68	3.99	-49.51
CC1=CC(CC(=O)N2CCC(C3=N[N-]N=N3)C2)=NC=C1Cl	REAL300020195018	0	35	-1.0	-48.48	309.98	4.21	-44.27
CC1=CC(CC(=O)N2CCC(C3=NN=N[N-]3)C2)=NC=C1Cl	REAL300020195018	1	35	-1.0	-48.52	310.05	4.22	-44.30
NC1=C(Cl)C=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1Cl	REAL300020195019	0	32	-1.0	-41.18	293.54	2.61	-38.57
NC1=C(Cl)C=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020195019	1	32	-1.0	-41.13	293.62	2.61	-38.52
CCC1(C(=O)N2CCC(C3=N[N-]N=N3)C2)CCC(F)(F)CC1	REAL300020195020	0	42	-1.0	-42.61	310.60	4.71	-37.90
CCC1(C(=O)N2CCC(C3=NN=N[N-]3)C2)CCC(F)(F)CC1	REAL300020195020	1	42	-1.0	-42.62	310.67	4.72	-37.90
CN1N=CC(C(F)(F)F)=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195021	0	33	-1.0	-42.19	302.41	2.72	-39.47
CN1N=CC(C(F)(F)F)=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195021	1	33	-1.0	-42.13	302.34	2.71	-39.42
O=C([C@@H]1OCCO[C@@H]1C1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195022	0	42	-1.0	-45.35	324.61	4.68	-40.67
O=C([C@@H]1OCCO[C@@H]1C1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195022	1	42	-1.0	-45.35	324.69	4.69	-40.66
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(C(F)(F)F)CCOCC1	REAL300020195023	0	37	-1.0	-40.16	288.71	2.01	-38.15
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(C(F)(F)F)CCOCC1	REAL300020195023	1	37	-1.0	-40.18	288.79	2.01	-38.17
O=C(C1=CC(C(F)(F)F)=CC=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020195024	0	33	-1.0	-41.68	307.11	5.22	-36.46
O=C(C1=CC(C(F)(F)F)=CC=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020195024	1	33	-1.0	-41.71	307.18	5.22	-36.49
CSCC[C@H](NC(N)=O)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195025	0	39	-1.0	-56.32	327.15	0.34	-55.98
CSCC[C@H](NC(N)=O)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195025	1	39	-1.0	-56.35	327.22	0.36	-55.99
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(C2=CC(F)=CC(F)=C2)CCCC1	REAL300020195026	0	43	-1.0	-42.36	337.45	6.42	-35.94
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(C2=CC(F)=CC(F)=C2)CCCC1	REAL300020195026	1	43	-1.0	-42.40	337.52	6.42	-35.98
CCCCCCCCCCCCC(C)(C)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195027	0	65	-1.0	-42.70	477.47	10.70	-32.00
CCCCCCCCCCCCC(C)(C)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195027	1	65	-1.0	-42.74	477.55	10.71	-32.03
CCN1C(=O)NC2=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=CC=C21	REAL300020195028	0	40	-1.0	-46.26	329.78	3.36	-42.90
CCN1C(=O)NC2=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=CC=C21	REAL300020195028	1	40	-1.0	-46.31	329.85	3.37	-42.94
O=C(C1=CC=C2NC(=O)N(C3CC3)C2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195029	0	41	-1.0	-47.53	334.81	4.02	-43.51
O=C(C1=CC=C2NC(=O)N(C3CC3)C2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195029	1	41	-1.0	-47.57	334.88	4.03	-43.54
COC(=O)N1CCC(C(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020195030	0	41	-1.0	-39.88	328.98	2.83	-37.05
COC(=O)N1CCC(C(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020195030	1	41	-1.0	-39.88	329.05	2.85	-37.03
O=C(OCC1=CC=CC=C1)N1CCC2(CC2C(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020195031	0	52	-1.0	-53.68	426.09	7.39	-46.29
O=C(OCC1=CC=CC=C1)N1CCC2(CC2C(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020195031	1	52	-1.0	-53.74	426.17	7.39	-46.35
O=C(CCC1=CC=CN=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020195032	0	35	-1.0	-45.55	309.88	4.10	-41.45
O=C(CCC1=CC=CN=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020195032	1	35	-1.0	-45.52	309.81	4.08	-41.44
CC(C)(C)OC(=O)N1CCCCC(C(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020195033	0	53	-1.0	-45.72	400.56	5.92	-39.80
CC(C)(C)OC(=O)N1CCCCC(C(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020195033	1	53	-1.0	-45.68	400.63	5.94	-39.74
O=C(C1=CC=NN=C1SCC1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195034	0	42	-1.0	-44.97	365.79	5.91	-39.06
O=C(C1=CC=NN=C1SCC1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195034	1	42	-1.0	-44.98	365.71	5.90	-39.08
CC(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195035	0	53	-1.0	-42.99	419.10	2.39	-40.60
CC(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195035	1	53	-1.0	-42.99	419.17	2.41	-40.58
CC(C)(C)OC(=O)NCCN1C=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)N=N1	REAL300020195036	0	49	-1.0	-49.44	402.15	1.16	-48.28
CC(C)(C)OC(=O)NCCN1C=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)N=N1	REAL300020195036	1	49	-1.0	-49.42	402.08	1.14	-48.28
CC(C)(C)OC(=O)N1CC2=CC=CC=C2C1CC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195037	0	54	-1.0	-45.98	420.75	7.54	-38.44
CC(C)(C)OC(=O)N1CC2=CC=CC=C2C1CC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195037	1	54	-1.0	-45.93	420.82	7.54	-38.39
CN1C(=O)CO[C@H](C(=O)N2CCC(C3=NN=N[N-]3)C2)[C@H]1C1=CC=CN=C1	REAL300020195038	0	44	-1.0	-41.64	350.68	2.25	-39.39
CN1C(=O)CO[C@H](C(=O)N2CCC(C3=N[N-]N=N3)C2)[C@H]1C1=CC=CN=C1	REAL300020195038	1	44	-1.0	-41.68	350.60	2.24	-39.44
COC(C)(C(=O)OC(C)(C)C)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195039	0	45	-1.0	-44.85	346.37	4.84	-40.01
COC(C)(C(=O)OC(C)(C)C)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195039	1	45	-1.0	-44.87	346.44	4.86	-40.01
CC(C)(C)OC(=O)C1(C(=O)N2CCC(C3=N[N-]N=N3)C2)CC1(C)C	REAL300020195040	0	48	-1.0	-43.01	369.49	5.98	-37.03
CC(C)(C)OC(=O)C1(C(=O)N2CCC(C3=NN=N[N-]3)C2)CC1(C)C	REAL300020195040	1	48	-1.0	-43.06	369.56	5.99	-37.07
CC(C)(C)OC(=O)C(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1CCCC1	REAL300020195041	0	51	-1.0	-47.22	389.66	6.77	-40.45
CC(C)(C)OC(=O)C(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1CCCC1	REAL300020195041	1	51	-1.0	-47.23	389.73	6.79	-40.44
CS(=O)(=O)C1=CC=C(C=CC(=O)N2CCC(C3=N[N-]N=N3)C2)O1	REAL300020195042	0	37	-1.0	-50.98	335.70	1.04	-49.94
CS(=O)(=O)C1=CC=C(C=CC(=O)N2CCC(C3=NN=N[N-]3)C2)O1	REAL300020195042	1	37	-1.0	-50.97	335.78	1.04	-49.93
O=C(C1=C(C(F)F)N(C2=CC=CC=C2)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195043	0	40	-1.0	-48.11	338.10	5.47	-42.64
O=C(C1=C(C(F)F)N(C2=CC=CC=C2)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195043	1	40	-1.0	-48.06	338.18	5.47	-42.59
O=C(C1=CC=C(Br)C=C1N1C=NN=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195044	0	35	-1.0	-55.46	319.24	4.69	-50.77
O=C(C1=CC=C(Br)C=C1N1C=NN=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195044	1	35	-1.0	-55.42	319.17	4.68	-50.74
O=C(C1=CC(Br)=CNC1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195045	0	30	-1.0	-52.86	286.04	1.46	-51.40
O=C(C1=CC(Br)=CNC1=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195045	1	30	-1.0	-52.83	286.11	1.47	-51.36
O=C(C1=CN=C2CCCCCN12)N1CCC(C2=N[N-]N=N2)C1	REAL300020195046	0	40	-1.0	-43.46	306.20	4.03	-39.43
O=C(C1=CN=C2CCCCCN12)N1CCC(C2=NN=N[N-]2)C1	REAL300020195046	1	40	-1.0	-43.46	306.28	4.05	-39.41
O=C(C1=CC2=C(C=CC3=C2C=CC=C3)O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195047	0	39	-1.0	-43.54	330.63	6.72	-36.82
O=C(C1=CC2=C(C=CC3=C2C=CC=C3)O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195047	1	39	-1.0	-43.58	330.70	6.73	-36.85
CC1=C(S(C)(=O)=O)C=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)O1	REAL300020195048	0	36	-1.0	-51.78	317.42	0.24	-51.54
CC1=C(S(C)(=O)=O)C=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)O1	REAL300020195048	1	36	-1.0	-51.80	317.50	0.26	-51.54
O=C(C1=CC2=CSC=C2S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195049	0	30	-1.0	-42.61	280.49	4.13	-38.48
O=C(C1=CC2=CSC=C2S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195049	1	30	-1.0	-42.64	280.56	4.14	-38.50
O=C(C1C2CC3=C(Cl)C=CC=C3C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020195050	0	38	-1.0	-46.27	322.94	6.99	-39.28
O=C(C1C2CC3=C(Cl)C=CC=C3C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020195050	1	38	-1.0	-46.29	323.01	7.00	-39.29
O=C([C@@H]1C[C@H]1C1=CC=CC(Cl)=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020195051	0	37	-1.0	-48.14	337.56	6.96	-41.18
O=C([C@@H]1C[C@H]1C1=CC=CC(Cl)=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020195051	1	37	-1.0	-48.15	337.63	6.96	-41.19
CC1=CC=C2OC=C(CC(=O)N3CCC(C4=N[N-]N=N4)C3)C2=C1	REAL300020195052	0	39	-1.0	-47.96	330.04	5.79	-42.17
CC1=CC=C2OC=C(CC(=O)N3CCC(C4=NN=N[N-]4)C3)C2=C1	REAL300020195052	1	39	-1.0	-47.96	330.12	5.81	-42.15
COC(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=C(F)C=C1	REAL300020195053	0	37	-1.0	-45.72	310.56	4.56	-41.16
COC(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=C(F)C=C1	REAL300020195053	1	37	-1.0	-45.75	310.64	4.57	-41.18
CCCC(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=CC(Cl)=C1	REAL300020195054	0	42	-1.0	-44.74	355.15	7.11	-37.63
CCCC(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=CC(Cl)=C1	REAL300020195054	1	42	-1.0	-44.79	355.22	7.12	-37.67
CC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C(C)N1C1=NN(C)C=C1	REAL300020195055	0	44	-1.0	-51.24	357.79	6.13	-45.11
CC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C(C)N1C1=NN(C)C=C1	REAL300020195055	1	44	-1.0	-51.21	357.72	6.13	-45.08
CC(C)(C)OC(=O)NC(CC1=NNC=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195056	0	50	-1.0	-44.27	384.99	2.13	-42.14
CC(C)(C)OC(=O)NC(CC1=NNC=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195056	1	50	-1.0	-44.34	385.06	2.15	-42.19
O=C(CC1=CC=C(N2C=CN=C2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195057	0	40	-1.0	-47.91	336.68	7.16	-40.75
O=C(CC1=CC=C(N2C=CN=C2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195057	1	40	-1.0	-47.92	336.76	7.16	-40.76
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CC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1OC(F)(F)F	REAL300020195105	1	37	-1.0	-41.91	316.05	4.13	-37.78
O=C(C1COC2=CC(F)=CC=C2C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195106	0	38	-1.0	-41.36	317.56	4.53	-36.83
O=C(C1COC2=CC(F)=CC=C2C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195106	1	38	-1.0	-41.40	317.64	4.54	-36.86
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C(S(C)(=O)=O)O1	REAL300020195107	0	36	-1.0	-48.93	316.25	0.11	-48.82
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C(S(C)(=O)=O)O1	REAL300020195107	1	36	-1.0	-48.95	316.33	0.12	-48.83
CC1=CC=CC=C1COC(C)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195108	0	43	-1.0	-47.83	346.39	6.35	-41.48
CC1=CC=CC=C1COC(C)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195108	1	43	-1.0	-47.85	346.47	6.35	-41.50
COC(=O)C1(C(=O)N2CCC(C3=N[N-]N=N3)C2)CC2(CCC2)C1	REAL300020195109	0	43	-1.0	-40.24	340.43	5.04	-35.20
COC(=O)C1(C(=O)N2CCC(C3=NN=N[N-]3)C2)CC2(CCC2)C1	REAL300020195109	1	43	-1.0	-40.26	340.50	5.04	-35.22
O=C([C@@H]1CCCC[C@H]1C(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020195110	0	39	-1.0	-44.20	315.43	4.87	-39.33
O=C([C@@H]1CCCC[C@H]1C(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020195110	1	39	-1.0	-44.21	315.50	4.87	-39.34
O=C(C1=CSC(C(F)(F)F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195111	0	30	-1.0	-40.77	281.67	3.75	-37.02
O=C(C1=CSC(C(F)(F)F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195111	1	30	-1.0	-40.81	281.75	3.76	-37.05
O=C([C@@H]1CC[C@@H](C2=CC=CC=C2)C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195112	0	43	-1.0	-43.52	336.48	6.92	-36.60
O=C([C@@H]1CC[C@@H](C2=CC=CC=C2)C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195112	1	43	-1.0	-43.52	336.54	6.92	-36.60
COCCCN1C=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=N1	REAL300020195113	0	40	-1.0	-46.22	331.69	2.10	-44.12
COCCCN1C=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=N1	REAL300020195113	1	40	-1.0	-46.22	331.62	2.09	-44.13
CC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=NN1C1CCOCC1	REAL300020195114	0	44	-1.0	-46.71	352.62	3.50	-43.21
CC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=NN1C1CCOCC1	REAL300020195114	1	44	-1.0	-46.70	352.69	3.51	-43.19
CN1C=C(N2CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)CC2=O)C=N1	REAL300020195115	0	41	-1.0	-53.80	341.25	2.78	-51.02
CN1C=C(N2CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)CC2=O)C=N1	REAL300020195115	1	41	-1.0	-53.81	341.17	2.78	-51.03
O=C(C1=C2C=CSC2=CN=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195116	0	32	-1.0	-42.64	284.18	3.23	-39.41
O=C(C1=C2C=CSC2=CN=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195116	1	32	-1.0	-42.60	284.11	3.22	-39.38
C[C@H](OC1=CC=C(Cl)C=C1Cl)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195117	0	37	-1.0	-47.16	335.07	6.08	-41.08
C[C@H](OC1=CC=C(Cl)C=C1Cl)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195117	1	37	-1.0	-47.17	335.14	6.09	-41.08
COC1=CC=C(CCC(=O)N2CCC(C3=N[N-]N=N3)C2)C(Br)=C1	REAL300020195118	0	40	-1.0	-43.14	348.80	5.33	-37.81
COC1=CC=C(CCC(=O)N2CCC(C3=NN=N[N-]3)C2)C(Br)=C1	REAL300020195118	1	40	-1.0	-43.18	348.87	5.35	-37.83
O=C(C1=CC=CC(CN2C=CN=N2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195119	0	39	-1.0	-50.96	327.75	3.99	-46.97
O=C(C1=CC=CC(CN2C=CN=N2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195119	1	39	-1.0	-50.99	327.68	3.97	-47.02
O=C(C1=CC2=CC(C(F)(F)F)=CC=C2S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195120	0	36	-1.0	-41.12	328.18	6.14	-34.98
O=C(C1=CC2=CC(C(F)(F)F)=CC=C2S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195120	1	36	-1.0	-41.10	328.25	6.15	-34.95
O=C(C1=CC(F)=C(OCC2=CC=CC=C2)C(F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195121	0	44	-1.0	-41.47	377.48	7.14	-34.33
O=C(C1=CC(F)=C(OCC2=CC=CC=C2)C(F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195121	1	44	-1.0	-41.48	377.55	7.15	-34.33
O=C(C1=C(Br)N=C2COCCN21)N1CCC(C2=N[N-]N=N2)C1	REAL300020195122	0	35	-1.0	-42.03	316.15	2.15	-39.88
O=C(C1=C(Br)N=C2COCCN21)N1CCC(C2=NN=N[N-]2)C1	REAL300020195122	1	35	-1.0	-42.02	316.23	2.15	-39.87
CC1=CC=CC=C1COCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195123	0	40	-1.0	-48.40	331.38	5.88	-42.52
CC1=CC=CC=C1COCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195123	1	40	-1.0	-48.41	331.45	5.88	-42.53
CC1=CC=CC(COCC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020195124	0	40	-1.0	-47.85	336.61	5.84	-42.01
CC1=CC=CC(COCC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020195124	1	40	-1.0	-47.82	336.68	5.86	-41.96
O=C(C1=C2SC=CC2=CC=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195125	0	32	-1.0	-46.04	284.35	4.12	-41.92
O=C(C1=C2SC=CC2=CC=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195125	1	32	-1.0	-46.06	284.27	4.10	-41.96
O=C(C1CC(=O)N(C2=CC=C(F)C(F)=C2)C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195126	0	41	-1.0	-44.77	344.09	4.97	-39.80
O=C(C1CC(=O)N(C2=CC=C(F)C(F)=C2)C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195126	1	41	-1.0	-44.78	344.16	4.98	-39.80
O=C([C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2)N1CCC(C2=N[N-]N=N2)C1	REAL300020195127	0	39	-1.0	-59.07	311.80	2.89	-56.18
O=C([C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2)N1CCC(C2=NN=N[N-]2)C1	REAL300020195127	1	39	-1.0	-59.07	311.87	2.89	-56.18
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=N1	REAL300020195128	0	36	-2.0	-90.91	318.92	-0.31	-91.22
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=N1	REAL300020195128	1	36	-2.0	-90.93	318.84	-0.33	-91.26
CS(=O)(=O)NC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=N1	REAL300020195128	1	37	-1.0	-51.91	318.99	-0.17	-52.08
CS(=O)(=O)NC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=N1	REAL300020195128	1	37	-1.0	-51.89	318.91	-0.18	-52.07
O=C(C1=CC=CC2=CC(=O)NC=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020195129	0	36	-1.0	-45.82	310.48	3.08	-42.74
O=C(C1=CC=CC2=CC(=O)NC=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020195129	1	36	-1.0	-45.78	310.55	3.09	-42.69
O=C(C1=CC=C(SC(F)(F)F)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195130	0	33	-1.0	-44.04	304.93	3.83	-40.21
O=C(C1=CC=C(SC(F)(F)F)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195130	1	33	-1.0	-44.02	304.85	3.82	-40.20
O=C(C1=CC=NC(N2CCOCC2)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195131	0	41	-1.0	-41.40	332.25	2.88	-38.52
O=C(C1=CC=NC(N2CCOCC2)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195131	1	41	-1.0	-41.45	332.18	2.87	-38.58
O=C(C1=CSC(C2=CC=C(F)C(Cl)=C2)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195132	0	36	-1.0	-44.37	342.56	5.82	-38.55
O=C(C1=CSC(C2=CC=C(F)C(Cl)=C2)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195132	1	36	-1.0	-44.36	342.49	5.81	-38.55
CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020195133	0	47	-1.0	-45.39	373.23	2.87	-42.52
CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020195133	1	47	-1.0	-45.38	373.30	2.88	-42.50
CC1=CC=C(COCC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020195134	0	40	-1.0	-47.85	336.61	5.85	-42.00
CC1=CC=C(COCC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020195134	1	40	-1.0	-47.87	336.69	5.87	-42.00
O=C(C1=CC2=C(C=C1Br)OCO2)N1CCC(C2=N[N-]N=N2)C1	REAL300020195135	0	33	-1.0	-41.33	298.70	2.99	-38.34
O=C(C1=CC2=C(C=C1Br)OCO2)N1CCC(C2=NN=N[N-]2)C1	REAL300020195135	1	33	-1.0	-41.33	298.78	3.01	-38.32
O=C(C1=CC(C(F)F)=CC=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020195136	0	33	-1.0	-45.03	291.96	4.65	-40.38
O=C(C1=CC(C(F)F)=CC=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020195136	1	33	-1.0	-45.02	292.03	4.66	-40.36
O=C(C1=CC=CC=C1)N1CCC(C(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020195137	0	44	-1.0	-48.54	349.88	4.71	-43.83
O=C(C1=CC=CC=C1)N1CCC(C(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020195137	1	44	-1.0	-48.56	349.95	4.71	-43.85
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)SC(SCC2=CC=CC=C2)=N1	REAL300020195138	0	43	-1.0	-40.59	379.58	6.62	-33.97
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)SC(SCC2=CC=CC=C2)=N1	REAL300020195138	1	43	-1.0	-40.57	379.66	6.63	-33.94
O=C(C1=C(F)N(C2=CC=CC=C2)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195139	0	37	-1.0	-46.45	317.34	4.76	-41.69
O=C(C1=C(F)N(C2=CC=CC=C2)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195139	1	37	-1.0	-46.45	317.26	4.75	-41.70
O=C(C1=C(Cl)C2=CC=CN=C2S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195140	0	32	-1.0	-43.59	296.87	3.76	-39.83
O=C(C1=C(Cl)C2=CC=CN=C2S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195140	1	32	-1.0	-43.60	296.80	3.75	-39.85
CC(C)C[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195141	0	58	0.0	-70.91	435.06	9.34	-61.57
CC(C)C[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195141	1	58	0.0	-72.77	434.83	9.26	-63.51
CC(C)C[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195141	1	58	0.0	-70.92	435.13	9.35	-61.57
CC(C)C[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195141	1	58	0.0	-72.79	434.91	9.27	-63.52
COC1=CC(CCC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC(OC)=C1O	REAL300020195142	0	45	-1.0	-46.33	371.61	2.58	-43.75
COC1=CC(CCC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC(OC)=C1O	REAL300020195142	1	45	-1.0	-46.33	371.68	2.59	-43.74
O=C(CC[C@@H]1CC[C@H](C(F)(F)F)O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195143	0	40	-1.0	-45.11	338.14	4.01	-41.10
O=C(CC[C@@H]1CC[C@H](C(F)(F)F)O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195143	1	40	-1.0	-45.15	338.21	4.02	-41.13
O=C(C1=CC2=CC=CC=C2N1CC1=CC=NC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195144	0	46	-1.0	-44.45	372.50	7.25	-37.20
O=C(C1=CC2=CC=CC=C2N1CC1=CC=NC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195144	1	46	-1.0	-44.43	372.57	7.27	-37.16
CCC[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195145	0	55	0.0	-56.45	422.46	8.88	-47.57
CCC[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195145	1	55	0.0	-70.53	418.43	8.82	-61.71
CCC[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195145	1	55	0.0	-56.45	422.53	8.90	-47.55
CCC[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195145	1	55	0.0	-70.58	418.50	8.82	-61.76
O=C([C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C1CCCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195146	0	59	0.0	-72.06	436.25	9.76	-62.30
O=C([C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C1CCCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195146	1	59	0.0	-71.52	443.71	9.92	-61.60
O=C([C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C1CCCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195146	1	59	0.0	-72.06	436.33	9.78	-62.28
O=C([C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C1CCCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195146	1	59	0.0	-71.53	443.78	9.95	-61.58
O=C(C1=CC=C(OC2=CC=C(F)C=C2)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195147	0	40	-1.0	-43.89	342.77	4.06	-39.83
O=C(C1=CC=C(OC2=CC=C(F)C=C2)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195147	1	40	-1.0	-43.84	342.70	4.05	-39.79
O=C(C1=CC=CC(N2CCCC2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195148	0	42	-1.0	-45.54	327.86	4.08	-41.46
O=C(C1=CC=CC(N2CCCC2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195148	1	42	-1.0	-45.55	327.94	4.08	-41.47
COC1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1OC(C)C	REAL300020195149	0	44	-1.0	-47.81	354.17	5.48	-42.33
COC1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1OC(C)C	REAL300020195149	1	44	-1.0	-47.77	354.24	5.48	-42.29
O=C(C1=C2C=CC=C(Br)N2N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195150	0	33	-1.0	-46.47	298.66	3.89	-42.58
O=C(C1=C2C=CC=C(Br)N2N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195150	1	33	-1.0	-46.44	298.58	3.87	-42.57
O=C(C1=CC=C(OC2=CC=CC=C2F)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195151	0	40	-1.0	-46.70	343.50	3.96	-42.74
O=C(C1=CC=C(OC2=CC=CC=C2F)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195151	1	40	-1.0	-46.69	343.43	3.94	-42.75
O=C(C1=CC=C2C(=C1)NC(=O)N2C1CC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195152	0	41	-1.0	-48.23	334.75	4.01	-44.22
O=C(C1=CC=C2C(=C1)NC(=O)N2C1CC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195152	1	41	-1.0	-48.23	334.83	4.03	-44.20
O=C(C1=CC=C(NC2=CC=CN=C2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195153	0	41	-1.0	-48.19	335.84	4.04	-44.15
O=C(C1=CC=C(NC2=CC=CN=C2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195153	1	41	-1.0	-48.25	335.91	4.06	-44.19
O=C(C1=CC2=NC(C(F)(F)F)=CN2C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195154	0	36	-1.0	-45.96	328.00	5.46	-40.50
O=C(C1=CC2=NC(C(F)(F)F)=CN2C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195154	1	36	-1.0	-45.99	327.93	5.45	-40.54
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](C(=O)N3CCC(C4=N[N-]N=N4)C3)[C@@H]2C1	REAL300020195155	0	51	-1.0	-45.13	395.49	5.20	-39.93
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](C(=O)N3CCC(C4=NN=N[N-]4)C3)[C@@H]2C1	REAL300020195155	1	51	-1.0	-45.17	395.57	5.20	-39.97
COC(=O)C=CC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)O1	REAL300020195156	0	37	-1.0	-42.72	327.84	4.26	-38.46
COC(=O)C=CC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)O1	REAL300020195156	1	37	-1.0	-42.70	327.91	4.27	-38.43
CC(C)(C)C1=CC=C(C=CC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020195157	0	46	-1.0	-43.25	365.99	7.55	-35.70
CC(C)(C)C1=CC=C(C=CC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020195157	1	46	-1.0	-43.24	366.06	7.56	-35.68
O=C(C1=C(F)C=CC(F)=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020195158	0	30	-1.0	-44.64	287.71	4.45	-40.19
O=C(C1=C(F)C=CC(F)=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020195158	1	30	-1.0	-44.64	287.78	4.46	-40.18
CC(C)(C)OC(=O)N1CCCC(CCC(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020195159	0	56	-1.0	-45.28	425.97	6.40	-38.88
CC(C)(C)OC(=O)N1CCCC(CCC(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020195159	1	56	-1.0	-45.34	426.05	6.41	-38.93
COC(=O)C1=C(C)C=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)O1	REAL300020195160	0	36	-1.0	-39.61	312.17	3.48	-36.13
COC(=O)C1=C(C)C=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)O1	REAL300020195160	1	36	-1.0	-39.63	312.25	3.50	-36.13
COC(=O)C1=CN(CC(=O)N2CCC(C3=NN=N[N-]3)C2)N=C1	REAL300020195161	0	36	-1.0	-52.49	317.77	2.87	-49.62
COC(=O)C1=CN(CC(=O)N2CCC(C3=N[N-]N=N3)C2)N=C1	REAL300020195161	1	36	-1.0	-52.43	317.69	2.85	-49.58
CC(C)CCC(NC(=O)OC(C)(C)C)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195162	0	55	-1.0	-36.74	418.50	4.14	-32.60
CC(C)CCC(NC(=O)OC(C)(C)C)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195162	1	55	-1.0	-36.67	418.57	4.16	-32.51
CC(C(=O)N1CCC(C2=N[N-]N=N2)C1)N1CCN(C(=O)OC(C)(C)C)CC1=O	REAL300020195163	0	54	-1.0	-46.28	412.15	5.05	-41.23
CC(C(=O)N1CCC(C2=NN=N[N-]2)C1)N1CCN(C(=O)OC(C)(C)C)CC1=O	REAL300020195163	1	54	-1.0	-46.28	412.22	5.06	-41.22
C[C@@H](CC(=O)N1CCC(C2=N[N-]N=N2)C1)NC(=O)OC(C)(C)C	REAL300020195164	0	46	-1.0	-50.45	366.57	2.82	-47.63
C[C@@H](CC(=O)N1CCC(C2=NN=N[N-]2)C1)NC(=O)OC(C)(C)C	REAL300020195164	1	46	-1.0	-50.41	366.64	2.83	-47.58
CC(C)(C)OC(=O)NC1CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020195165	0	48	-1.0	-39.26	375.64	3.09	-36.17
CC(C)(C)OC(=O)NC1CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020195165	1	48	-1.0	-39.29	375.71	3.11	-36.18
CN1C=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(C2=CC=CO2)=N1	REAL300020195166	0	37	-1.0	-52.33	313.78	4.21	-48.12
CN1C=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(C2=CC=CO2)=N1	REAL300020195166	1	37	-1.0	-52.28	313.70	4.21	-48.07
NC(=O)C1=CC=C(C=CC(=O)N2CCC(C3=N[N-]N=N3)C2)O1	REAL300020195167	0	35	-1.0	-45.26	312.45	0.34	-44.92
NC(=O)C1=CC=C(C=CC(=O)N2CCC(C3=NN=N[N-]3)C2)O1	REAL300020195167	1	35	-1.0	-45.27	312.53	0.35	-44.92
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)OC(S(N)(=O)=O)=C1	REAL300020195168	0	35	-1.0	-45.22	311.86	-2.25	-47.47
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)OC(S(N)(=O)=O)=C1	REAL300020195168	1	35	-1.0	-45.23	311.94	-2.24	-47.47
CSC1=CC=C(O)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020195169	0	35	-1.0	-45.80	304.49	2.66	-43.14
CSC1=CC=C(O)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020195169	1	35	-1.0	-45.80	304.56	2.67	-43.13
COC1CN(C(=O)OC(C)(C)C)C(C)(C(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020195170	0	54	-1.0	-50.39	407.53	4.19	-46.20
COC1CN(C(=O)OC(C)(C)C)C(C)(C(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020195170	1	54	-1.0	-50.37	407.61	4.20	-46.17
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195171	0	48	-1.0	-54.76	374.88	5.76	-49.00
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195171	1	48	-1.0	-54.82	374.96	5.77	-49.05
CC1=CC=C(C2=NN(C)C=C2C(=O)N2CCC(C3=NN=N[N-]3)C2)O1	REAL300020195172	0	40	-1.0	-53.27	335.70	5.03	-48.24
CC1=CC=C(C2=NN(C)C=C2C(=O)N2CCC(C3=N[N-]N=N3)C2)O1	REAL300020195172	1	40	-1.0	-53.28	335.62	5.02	-48.26
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(C2=CC=CC=C2)CCCCCC1	REAL300020195173	0	49	-1.0	-42.90	342.73	7.43	-35.47
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(C2=CC=CC=C2)CCCCCC1	REAL300020195173	1	49	-1.0	-42.85	342.80	7.43	-35.42
O=C(NC1=C(F)C=CC=C1F)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195174	0	34	-1.0	-42.51	307.27	2.52	-39.99
O=C(NC1=C(F)C=CC=C1F)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195174	1	34	-1.0	-42.52	307.34	2.53	-39.99
CC1=CC(CC(=O)N2CCC(C3=N[N-]N=N3)C2)=C(C)N1C1=CC=CC=C1	REAL300020195175	0	47	-1.0	-47.76	386.67	8.74	-39.02
CC1=CC(CC(=O)N2CCC(C3=NN=N[N-]3)C2)=C(C)N1C1=CC=CC=C1	REAL300020195175	1	47	-1.0	-47.78	386.74	8.74	-39.04
CC1=CC=CC(N2C=NC3=CC(C(=O)N4CCC(C5=NN=N[N-]5)C4)=CC=C32)=C1	REAL300020195176	0	46	-1.0	-45.55	378.11	8.85	-36.70
CC1=CC=CC(N2C=NC3=CC(C(=O)N4CCC(C5=N[N-]N=N5)C4)=CC=C32)=C1	REAL300020195176	1	46	-1.0	-45.56	378.03	8.84	-36.72
CN1C(C(F)(F)F)=NC2=CN=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C21	REAL300020195177	0	38	-1.0	-40.39	330.04	3.18	-37.21
CN1C(C(F)(F)F)=NC2=CN=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C21	REAL300020195177	1	38	-1.0	-40.38	329.96	3.18	-37.20
O=C(C1CCC2=CC(F)=CC=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020195178	0	37	-1.0	-44.27	309.43	5.78	-38.49
O=C(C1CCC2=CC(F)=CC=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020195178	1	37	-1.0	-44.28	309.50	5.79	-38.49
CC1=CC=C([C@@H]2C[C@H]2C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1C	REAL300020195179	0	43	-1.0	-44.05	346.50	7.27	-36.78
CC1=CC=C([C@@H]2C[C@H]2C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1C	REAL300020195179	1	43	-1.0	-44.06	346.58	7.29	-36.77
CCOCCN1C=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=N1	REAL300020195180	0	40	-1.0	-43.91	332.05	2.29	-41.62
CCOCCN1C=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=N1	REAL300020195180	1	40	-1.0	-43.92	331.97	2.27	-41.65
CC(C)(C)OC(=O)NC(CC1=NC=CC=N1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195181	0	51	-1.0	-51.13	405.64	3.00	-48.13
CC(C)(C)OC(=O)NC(CC1=NC=CC=N1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195181	1	51	-1.0	-51.14	405.71	3.01	-48.13
O=C([C@@H]1CC2=CC=CC=C2O[C@H]1C(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020195182	0	41	-1.0	-42.36	345.14	5.32	-37.04
O=C([C@@H]1CC2=CC=CC=C2O[C@H]1C(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020195182	1	41	-1.0	-42.36	345.21	5.33	-37.03
O=C(C1=C(C(F)(F)F)SC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195183	0	30	-1.0	-45.46	280.57	3.78	-41.68
O=C(C1=C(C(F)(F)F)SC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195183	1	30	-1.0	-45.50	280.64	3.80	-41.70
CC1=NN(C2CCOCC2)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020195184	0	44	-1.0	-41.94	346.47	3.10	-38.84
CC1=NN(C2CCOCC2)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020195184	1	44	-1.0	-41.98	346.54	3.11	-38.87
CC(C)(C)C(NC(=O)OCC1=CC=CC=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195185	0	53	-1.0	-40.60	412.71	5.74	-34.86
CC(C)(C)C(NC(=O)OCC1=CC=CC=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195185	1	53	-1.0	-40.62	412.79	5.76	-34.86
CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195186	0	49	-1.0	-37.81	373.99	0.97	-36.84
CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195186	1	49	-1.0	-37.85	374.07	0.98	-36.87
CN1N=C(Cl)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1Cl	REAL300020195187	0	30	-1.0	-42.22	296.05	2.54	-39.68
CN1N=C(Cl)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1Cl	REAL300020195187	1	30	-1.0	-42.23	295.97	2.54	-39.69
O=C(C1=C(C(F)(F)F)N(C2=CC=CC=N2)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195188	0	39	-1.0	-49.57	336.52	5.41	-44.16
O=C(C1=C(C(F)(F)F)N(C2=CC=CC=N2)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195188	1	39	-1.0	-49.56	336.45	5.40	-44.16
O=C(C1CCCC1CC1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195189	0	46	-1.0	-43.39	356.41	7.87	-35.52
O=C(C1CCCC1CC1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195189	1	46	-1.0	-43.38	356.48	7.88	-35.50
O=C(C1=CC=NN1CCC1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195190	0	43	-1.0	-42.98	353.25	6.08	-36.90
O=C(C1=CC=NN1CCC1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195190	1	43	-1.0	-43.00	353.17	6.08	-36.92
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(C2CCCC2)CCNC1=O	REAL300020195191	0	44	-1.0	-47.50	320.71	2.32	-45.18
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(C2CCCC2)CCNC1=O	REAL300020195191	1	44	-1.0	-47.52	320.78	2.33	-45.19
CCOC1=CC=CC(C=CC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020195192	0	41	-1.0	-45.42	341.23	5.46	-39.96
CCOC1=CC=CC(C=CC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020195192	1	41	-1.0	-45.46	341.30	5.47	-39.99
O=C(CC1=CC=C(F)C(Cl)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195193	0	33	-1.0	-45.01	303.33	5.32	-39.69
O=C(CC1=CC=C(F)C(Cl)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195193	1	33	-1.0	-44.98	303.40	5.34	-39.64
CC1(C)CC1(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=CC=C1	REAL300020195194	0	43	-1.0	-43.99	339.94	6.75	-37.24
CC1(C)CC1(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=CC=C1	REAL300020195194	1	43	-1.0	-43.99	340.02	6.75	-37.24
O=C(CCOC1=CC=C(Cl)C(F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195195	0	37	-1.0	-43.89	333.19	4.96	-38.93
O=C(CCOC1=CC=C(Cl)C(F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195195	1	37	-1.0	-43.94	333.26	4.98	-38.96
O=C(C1=CSC=C1C(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020195196	0	30	-1.0	-47.59	274.50	3.66	-43.93
O=C(C1=CSC=C1C(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020195196	1	30	-1.0	-47.60	274.57	3.68	-43.92
CCCC(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=C(Cl)C=C1	REAL300020195197	0	42	-1.0	-35.21	352.53	7.11	-28.10
CCCC(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=C(Cl)C=C1	REAL300020195197	1	42	-1.0	-35.24	352.60	7.13	-28.11
CC1=NN(C2CCOCC2)C(C)=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195198	0	47	-1.0	-44.62	378.48	3.82	-40.80
CC1=NN(C2CCOCC2)C(C)=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195198	1	47	-1.0	-44.61	378.56	3.84	-40.77
CCC(NC1=CC=CN=C1Cl)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195199	0	40	-1.0	-37.51	331.80	2.70	-34.81
CCC(NC1=CC=CN=C1Cl)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195199	1	40	-1.0	-37.53	331.73	2.68	-34.85
O=C(C1CS(=O)(=O)CC1C(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020195200	0	36	-1.0	-50.54	318.00	0.53	-50.01
O=C(C1CS(=O)(=O)CC1C(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020195200	1	36	-1.0	-50.49	318.07	0.53	-49.96
CC(C)(C)OC(=O)C1(C(=O)N2CCC(C3=N[N-]N=N3)C2)CCCCCC1	REAL300020195201	0	54	-1.0	-40.72	383.63	6.66	-34.06
CC(C)(C)OC(=O)C1(C(=O)N2CCC(C3=NN=N[N-]3)C2)CCCCCC1	REAL300020195201	1	54	-1.0	-40.73	383.70	6.68	-34.05
COC1=CC=CC(OC(F)(F)F)=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195202	0	38	-1.0	-48.30	334.77	3.11	-45.19
COC1=CC=CC(OC(F)(F)F)=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195202	1	38	-1.0	-48.30	334.84	3.13	-45.17
O=C(N1CCC(C2=N[N-]N=N2)C1)C(F)(F)N1C=C(C2=CC=CC=C2)N=N1	REAL300020195203	0	39	-1.0	-45.60	341.50	4.24	-41.36
O=C(N1CCC(C2=NN=N[N-]2)C1)C(F)(F)N1C=C(C2=CC=CC=C2)N=N1	REAL300020195203	1	39	-1.0	-45.64	341.58	4.26	-41.38
COC1=CC=CC(C(OC)C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020195204	0	41	-1.0	-45.59	335.46	3.83	-41.76
COC1=CC=CC(C(OC)C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020195204	1	41	-1.0	-45.56	335.53	3.84	-41.72
COCCOCCOCCCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195205	0	47	-1.0	-49.46	386.85	2.17	-47.29
COCCOCCOCCCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195205	1	47	-1.0	-49.49	386.93	2.19	-47.30
COC1=CC2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2C=C1OC	REAL300020195206	0	44	-1.0	-46.42	354.54	5.03	-41.39
COC1=CC2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2C=C1OC	REAL300020195206	1	44	-1.0	-46.44	354.61	5.04	-41.40
O=C(CC1(N2C=NN=N2)CCOCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195207	0	42	-1.0	-58.94	329.82	2.84	-56.10
O=C(CC1(N2C=NN=N2)CCOCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195207	1	42	-1.0	-58.91	329.75	2.83	-56.08
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020195208	0	43	-2.0	-108.78	360.10	5.05	-103.73
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020195208	1	43	-2.0	-108.74	360.17	5.05	-103.69
CC(=O)NC1=CNC(=O)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020195209	0	37	-1.0	-64.96	323.75	-0.26	-65.22
CC(=O)NC1=CNC(=O)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020195209	1	37	-1.0	-64.97	323.82	-0.24	-65.21
CC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C(N2C=CC=C2)S1	REAL300020195210	0	38	-1.0	-46.42	325.84	6.36	-40.06
CC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C(N2C=CC=C2)S1	REAL300020195210	1	38	-1.0	-46.42	325.92	6.37	-40.05
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195211	0	36	-2.0	-81.01	307.03	3.34	-77.67
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195211	1	36	-2.0	-81.02	306.95	3.33	-77.69
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195211	1	36	-2.0	-80.88	307.13	3.35	-77.53
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195211	1	36	-2.0	-80.86	307.05	3.34	-77.52
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195212	0	33	-2.0	-76.80	295.57	1.12	-75.68
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195212	1	33	-2.0	-76.79	295.64	1.12	-75.67
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195212	1	33	-2.0	-76.80	295.64	1.12	-75.68
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195212	1	33	-2.0	-76.78	295.71	1.12	-75.66
O=C(COCC1=NC(C2=CC=CC=C2)=NO1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195213	0	42	-1.0	-55.02	366.17	3.84	-51.18
O=C(COCC1=NC(C2=CC=CC=C2)=NO1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195213	1	42	-1.0	-54.99	366.10	3.83	-51.16
O=C(CNC(=O)C1=CN=C(Cl)C(Cl)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195214	0	36	-1.0	-41.63	342.19	1.68	-39.95
O=C(CNC(=O)C1=CN=C(Cl)C(Cl)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195214	1	36	-1.0	-41.66	342.11	1.67	-39.99
O=C(C1=C(C(F)(F)F)C=NN1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195215	0	30	-1.0	-42.00	268.78	1.60	-40.40
O=C(C1=C(C(F)(F)F)C=NN1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195215	1	30	-1.0	-41.97	268.86	1.61	-40.36
O=C(CCCN1C(=O)[N-]NC1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195216	0	36	-2.0	-89.60	314.75	-0.73	-90.33
O=C(CCCN1C(=O)[N-]NC1=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195216	1	36	-2.0	-89.61	314.83	-0.71	-90.32
CN1C=CC(NC2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2)=N1	REAL300020195217	0	42	-1.0	-48.00	342.63	4.56	-43.44
CN1C=CC(NC2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2)=N1	REAL300020195217	1	42	-1.0	-47.97	342.56	4.55	-43.42
O=C(CC1CCN(CC(F)(F)F)CC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195218	0	44	-1.0	-42.88	352.46	3.82	-39.06
O=C(CC1CCN(CC(F)(F)F)CC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195218	1	44	-1.0	-42.90	352.53	3.84	-39.06
CC(C)(C)OC(=O)C1(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(C)(C)C1(C)C	REAL300020195219	0	54	-1.0	-40.76	395.42	6.67	-34.09
CC(C)(C)OC(=O)C1(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(C)(C)C1(C)C	REAL300020195219	1	54	-1.0	-40.79	395.49	6.67	-34.12
O=C(C(O)C(O)(C1=CC=CC=C1)C(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020195220	0	41	-1.0	-39.57	337.30	0.93	-38.64
O=C(C(O)C(O)(C1=CC=CC=C1)C(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020195220	1	41	-1.0	-39.58	337.37	0.95	-38.63
O=C(C1CCCN1C1=NC=CC=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195221	0	40	-1.0	-50.98	326.97	4.13	-46.85
O=C(C1CCCN1C1=NC=CC=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195221	1	40	-1.0	-50.95	326.89	4.11	-46.84
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(I)=NN1	REAL300020195222	0	30	-1.0	-43.28	289.54	1.89	-41.39
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(I)=NN1	REAL300020195222	1	30	-1.0	-43.29	289.61	1.90	-41.39
O=C(C1=CC=C(NN2C=CN=C2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195223	0	39	-1.0	-46.48	322.37	4.77	-41.71
O=C(C1=CC=C(NN2C=CN=C2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195223	1	39	-1.0	-46.49	322.45	4.79	-41.70
O=C(CCC1=NN=C(C2CC2)O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195224	0	38	-1.0	-45.47	325.62	0.15	-45.32
O=C(CCC1=NN=C(C2CC2)O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195224	1	38	-1.0	-45.53	325.69	0.16	-45.37
CC(C)N1C=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(C2CCOCC2)=N1	REAL300020195225	0	50	-1.0	-45.74	387.29	4.19	-41.55
CC(C)N1C=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(C2CCOCC2)=N1	REAL300020195225	1	50	-1.0	-45.69	387.37	4.19	-41.50
O=C(C1=CN(CCO)N=C1C1CCOCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195226	0	48	-1.0	-46.51	380.10	0.31	-46.20
O=C(C1=CN(CCO)N=C1C1CCOCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195226	1	48	-1.0	-46.52	380.17	0.33	-46.19
CC(=O)NC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=N1	REAL300020195227	0	36	-1.0	-48.78	302.84	2.19	-46.59
CC(=O)NC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=N1	REAL300020195227	1	36	-1.0	-48.75	302.77	2.18	-46.57
CC1=C(NCC(C)(C)C)C=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195228	0	50	-1.0	-42.25	382.65	6.21	-36.04
CC1=C(NCC(C)(C)C)C=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195228	1	50	-1.0	-42.23	382.71	6.23	-36.00
O=C(C1=CC=CC(CN2C=NC=N2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195229	0	39	-1.0	-49.56	328.66	6.65	-42.91
O=C(C1=CC=CC(CN2C=NC=N2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195229	1	39	-1.0	-49.52	328.59	6.64	-42.88
O=C(C1=NC=C2C(F)=CC=CN21)N1CCC(C2=NN=N[N-]2)C1	REAL300020195230	0	33	-1.0	-43.14	286.76	4.97	-38.17
O=C(C1=NC=C2C(F)=CC=CN21)N1CCC(C2=N[N-]N=N2)C1	REAL300020195230	1	33	-1.0	-43.12	286.69	4.96	-38.16
O=C(CC1=CNC2=CC=C(Br)C=C12)N1CCC(C2=N[N-]N=N2)C1	REAL300020195231	0	37	-1.0	-47.68	333.99	5.44	-42.24
O=C(CC1=CNC2=CC=C(Br)C=C12)N1CCC(C2=NN=N[N-]2)C1	REAL300020195231	1	37	-1.0	-47.68	334.07	5.45	-42.23
O=C([C@@H]1CSC(C2=CC=CC=C2)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195232	0	38	-1.0	-47.72	330.34	3.91	-43.81
O=C([C@@H]1CSC(C2=CC=CC=C2)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195232	1	38	-1.0	-47.69	330.41	3.92	-43.77
O=C(C1=CC2=C(CCCC2O)NC1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195233	0	41	-1.0	-54.81	335.08	0.11	-54.70
O=C(C1=CC2=C(CCCC2O)NC1=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195233	1	41	-1.0	-54.85	335.15	0.11	-54.74
NC1=C2N=CN(CCC(=O)N3CCC(C4=N[N-]N=N4)C3)C2=NC=N1	REAL300020195234	0	39	-1.0	-47.42	334.21	4.14	-43.28
NC1=C2N=CN(CCC(=O)N3CCC(C4=NN=N[N-]4)C3)C2=NC=N1	REAL300020195234	1	39	-1.0	-47.43	334.28	4.14	-43.29
O=C(C1=CC2=CC(O)=C(O)C=C2S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195235	0	35	-1.0	-44.28	310.97	0.24	-44.04
O=C(C1=CC2=CC(O)=C(O)C=C2S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195235	1	35	-1.0	-44.23	311.04	0.24	-43.99
O=C(C1=CNN=C1I)N1CCC(C2=N[N-]N=N2)C1	REAL300020195236	0	27	-1.0	-45.96	256.81	0.98	-44.98
O=C(C1=CNN=C1I)N1CCC(C2=NN=N[N-]2)C1	REAL300020195236	1	27	-1.0	-45.95	256.88	0.99	-44.96
CC1=CC=C(NC2=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)N=CS2)C=C1	REAL300020195237	0	41	-1.0	-44.17	348.89	4.97	-39.20
CC1=CC=C(NC2=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)N=CS2)C=C1	REAL300020195237	1	41	-1.0	-44.19	348.81	4.96	-39.23
O=C(C1=NC(C2=CN=CC=N2)=NO1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195238	0	33	-1.0	-43.84	298.15	-1.28	-45.12
O=C(C1=NC(C2=CN=CC=N2)=NO1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195238	1	33	-1.0	-43.87	298.22	-1.27	-45.14
CN1CCN(C(=O)OC(C)(C)C)CC1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195239	0	52	-1.0	-43.07	394.10	2.37	-40.70
CN1CCN(C(=O)OC(C)(C)C)CC1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195239	1	52	-1.0	-43.12	394.17	2.38	-40.74
C#CCN(CC(=O)N1CCC(C2=N[N-]N=N2)C1)C(=O)OC(C)(C)C	REAL300020195240	0	45	-1.0	-48.88	373.71	5.33	-43.55
C#CCN(CC(=O)N1CCC(C2=NN=N[N-]2)C1)C(=O)OC(C)(C)C	REAL300020195240	1	45	-1.0	-48.87	373.79	5.34	-43.53
O=C(C1=NC=CN=C1SCC1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195241	0	42	-1.0	-46.37	364.38	6.03	-40.34
O=C(C1=NC=CN=C1SCC1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195241	1	42	-1.0	-46.35	364.31	6.02	-40.33
O=C(C1=CC2=CC=CC=C2OC1C(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020195242	0	39	-1.0	-43.27	341.12	5.35	-37.92
O=C(C1=CC2=CC=CC=C2OC1C(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020195242	1	39	-1.0	-43.26	341.20	5.36	-37.90
CC1=CC=C(C(=O)C=CC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020195243	0	39	-1.0	-42.35	333.82	5.83	-36.52
CC1=CC=C(C(=O)C=CC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020195243	1	39	-1.0	-42.37	333.89	5.83	-36.54
O=C(C1=CC=C2NC=NC2=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020195244	0	33	-1.0	-55.24	285.71	3.42	-51.82
O=C(C1=CC=C2NC=NC2=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020195244	1	33	-1.0	-55.23	285.78	3.42	-51.81
NC1=NN=NN1C1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020195245	0	37	-1.0	-49.38	315.14	3.63	-45.75
NC1=NN=NN1C1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020195245	1	37	-1.0	-49.35	315.07	3.63	-45.72
CC1=CC=CC=C1NC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)N=CS1	REAL300020195246	0	41	-1.0	-44.52	346.88	5.16	-39.36
CC1=CC=CC=C1NC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)N=CS1	REAL300020195246	1	41	-1.0	-44.58	346.81	5.15	-39.43
CCN1C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CN=C1Br	REAL300020195247	0	33	-1.0	-40.58	292.82	3.45	-37.13
CCN1C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CN=C1Br	REAL300020195247	1	33	-1.0	-40.52	292.74	3.45	-37.07
O=C(C1=CC(C(F)(F)F)=CNC1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195248	0	33	-1.0	-53.18	303.73	1.85	-51.33
O=C(C1=CC(C(F)(F)F)=CNC1=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195248	1	33	-1.0	-53.21	303.80	1.87	-51.34
O=C(NC(CO)C(=O)N1CCC(C2=N[N-]N=N2)C1)OCC1=CC=CC=C1	REAL300020195249	0	45	-1.0	-40.17	381.61	0.24	-39.93
O=C(NC(CO)C(=O)N1CCC(C2=NN=N[N-]2)C1)OCC1=CC=CC=C1	REAL300020195249	1	45	-1.0	-40.19	381.68	0.26	-39.93
O=C(C1=CN2C=CN=C2C(Br)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195250	0	33	-1.0	-43.73	308.00	5.06	-38.67
O=C(C1=CN2C=CN=C2C(Br)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195250	1	33	-1.0	-43.75	307.93	5.05	-38.70
CC(C)(C)OC(=O)N1CC2(C1)CC(C(=O)N1CCC(C3=N[N-]N=N3)C1)=NO2	REAL300020195251	0	49	-1.0	-41.47	397.00	2.94	-38.53
CC(C)(C)OC(=O)N1CC2(C1)CC(C(=O)N1CCC(C3=NN=N[N-]3)C1)=NO2	REAL300020195251	1	49	-1.0	-41.47	397.08	2.95	-38.52
CN1N=C(I)C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195252	0	30	-1.0	-39.28	278.59	2.37	-36.91
CN1N=C(I)C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195252	1	30	-1.0	-39.24	278.51	2.36	-36.88
CC(C)(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=C(C#N)C=C1	REAL300020195253	0	40	-1.0	-46.06	321.95	6.14	-39.92
CC(C)(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=C(C#N)C=C1	REAL300020195253	1	40	-1.0	-46.09	322.03	6.15	-39.94
CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020195254	0	53	-1.0	-47.98	407.49	4.00	-43.98
CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020195254	1	53	-1.0	-47.97	407.57	4.00	-43.97
CC(=CC1=CC=C(Br)O1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195255	0	34	-1.0	-41.36	312.45	4.79	-36.57
CC(=CC1=CC=C(Br)O1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195255	1	34	-1.0	-41.38	312.52	4.80	-36.58
O=C(C1=CC=CC(OC2=CC=C(Cl)C=N2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195256	0	40	-1.0	-43.12	353.40	4.45	-38.67
O=C(C1=CC=CC(OC2=CC=C(Cl)C=N2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195256	1	40	-1.0	-43.07	353.32	4.44	-38.63
CC1=CC(C)=NC(N2[N-]C(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C(CCO)C2=O)=N1	REAL300020195257	0	48	-2.0	-96.82	407.03	3.05	-93.77
CC1=CC(C)=NC(N2[N-]C(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C(CCO)C2=O)=N1	REAL300020195257	1	48	-2.0	-96.84	407.10	3.06	-93.78
O=CC1=CNC2=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=CC=C12	REAL300020195258	0	36	-1.0	-56.19	303.31	3.33	-52.86
O=CC1=CNC2=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=CC=C12	REAL300020195258	1	36	-1.0	-56.19	303.39	3.34	-52.85
CC1=CC(C=O)=C(C)N1C1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1C	REAL300020195259	0	49	-1.0	-46.91	400.89	8.14	-38.77
CC1=CC(C=O)=C(C)N1C1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1C	REAL300020195259	1	49	-1.0	-46.88	400.96	8.15	-38.73
CC1=CC(C=O)=C(C)N1C1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020195260	0	46	-1.0	-47.51	377.55	7.15	-40.36
CC1=CC(C=O)=C(C)N1C1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020195260	1	46	-1.0	-47.52	377.62	7.17	-40.35
CC1=CC(C=O)=C(C)N1C1=CC=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195261	0	46	-1.0	-53.42	383.29	7.64	-45.78
CC1=CC(C=O)=C(C)N1C1=CC=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195261	1	46	-1.0	-53.38	383.36	7.64	-45.74
CC1=CC(C=O)=C(C)N1C1=CC=C(CC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020195262	0	49	-1.0	-48.97	411.49	8.50	-40.47
CC1=CC(C=O)=C(C)N1C1=CC=C(CC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020195262	1	49	-1.0	-48.96	411.56	8.51	-40.45
O=CC1=CC(Br)=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020195263	0	32	-1.0	-47.65	294.58	3.89	-43.76
O=CC1=CC(Br)=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020195263	1	32	-1.0	-47.66	294.65	3.91	-43.75
O=C(C1=CN([C@@H]2CC[C@H]2O)N=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195264	0	37	-1.0	-44.61	310.96	-0.92	-45.53
O=C(C1=CN([C@@H]2CC[C@H]2O)N=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195264	1	37	-1.0	-44.61	310.89	-0.92	-45.53
O=CC1=CN=C2C(Br)=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=CN12	REAL300020195265	0	35	-1.0	-46.21	329.32	4.64	-41.57
O=CC1=CN=C2C(Br)=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=CN12	REAL300020195265	1	35	-1.0	-46.17	329.25	4.62	-41.55
O=C(N1CCC(C2=N[N-]N=N2)C1)[C@@]1(C2=CC=CC=C2)C[C@@H](O)C1	REAL300020195266	0	41	-1.0	-46.53	324.61	2.72	-43.81
O=C(N1CCC(C2=NN=N[N-]2)C1)[C@@]1(C2=CC=CC=C2)C[C@@H](O)C1	REAL300020195266	1	41	-1.0	-46.54	324.68	2.72	-43.82
O=C(OCC1=CC=CC=C1)N1CC(O)(C(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020195267	0	46	-1.0	-44.29	388.14	2.13	-42.16
O=C(OCC1=CC=CC=C1)N1CC(O)(C(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020195267	1	46	-1.0	-44.32	388.22	2.14	-42.18
O=C(C1=C(C(F)F)N=C2CCCCN21)N1CCC(C2=N[N-]N=N2)C1	REAL300020195268	0	40	-1.0	-46.49	336.02	4.77	-41.72
O=C(C1=C(C(F)F)N=C2CCCCN21)N1CCC(C2=NN=N[N-]2)C1	REAL300020195268	1	40	-1.0	-46.46	336.10	4.78	-41.68
O=C(C1=CN=C2SC=CC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195269	0	32	-1.0	-44.31	282.06	3.05	-41.26
O=C(C1=CN=C2SC=CC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195269	1	32	-1.0	-44.32	281.99	3.04	-41.28
O=C(C1=CC2=C(Cl)N=CC=C2O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195270	0	32	-1.0	-41.21	296.00	3.15	-38.06
O=C(C1=CC2=C(Cl)N=CC=C2O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195270	1	32	-1.0	-41.18	295.93	3.14	-38.04
O=C(CCNC(=O)C1=CC2=CC=CC=C2N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195271	0	44	-1.0	-53.01	370.97	3.15	-49.86
O=C(CCNC(=O)C1=CC2=CC=CC=C2N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195271	1	44	-1.0	-53.02	371.04	3.17	-49.85
O=C(C1=COC(C(F)(F)F)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195272	0	29	-1.0	-39.25	273.57	0.44	-38.81
O=C(C1=COC(C(F)(F)F)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195272	1	29	-1.0	-39.22	273.50	0.42	-38.80
O=C(C1=NN2C=C(Br)C=NC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195273	0	32	-1.0	-42.61	300.50	3.59	-39.02
O=C(C1=NN2C=C(Br)C=NC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195273	1	32	-1.0	-42.61	300.43	3.57	-39.04
COC1=CC=C(C=O)C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195274	0	36	-1.0	-52.89	305.78	3.58	-49.31
COC1=CC=C(C=O)C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195274	1	36	-1.0	-52.93	305.85	3.58	-49.35
CS(=O)(=O)N1CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020195275	0	35	-1.0	-47.69	306.94	-0.95	-48.64
CS(=O)(=O)N1CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020195275	1	35	-1.0	-47.68	307.02	-0.94	-48.62
CC1(C2=CC=CC(Br)=C2)CC1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195276	0	40	-1.0	-43.99	348.00	6.97	-37.02
CC1(C2=CC=CC(Br)=C2)CC1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195276	1	40	-1.0	-44.00	348.07	6.99	-37.01
O=C(C1=CC=C(OCC2=CC=CC=C2)C=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195277	0	43	-1.0	-43.32	360.97	6.01	-37.31
O=C(C1=CC=C(OCC2=CC=CC=C2)C=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195277	1	43	-1.0	-43.36	360.90	6.01	-37.35
NC1=C2N=CN(C[C@@H]3CC[C@H](C(=O)N4CCC(C5=N[N-]N=N5)C4)O3)C2=NC=N1	REAL300020195278	0	47	-1.0	-51.05	387.91	5.30	-45.75
NC1=C2N=CN(C[C@@H]3CC[C@H](C(=O)N4CCC(C5=NN=N[N-]5)C4)O3)C2=NC=N1	REAL300020195278	1	47	-1.0	-51.02	387.98	5.32	-45.70
CC1=NC(OC(C)C(F)(F)F)=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195279	0	42	-1.0	-40.41	359.19	3.26	-37.15
CC1=NC(OC(C)C(F)(F)F)=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195279	1	42	-1.0	-40.43	359.26	3.28	-37.15
CC1=NC(C2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)S2)=CS1	REAL300020195280	0	36	-1.0	-43.49	330.25	4.28	-39.21
CC1=NC(C2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)S2)=CS1	REAL300020195280	1	36	-1.0	-43.48	330.18	4.26	-39.22
O=C(CC1=CC=CC=C1OCC1=CC=NC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195281	0	46	-1.0	-47.61	385.68	6.35	-41.26
O=C(CC1=CC=CC=C1OCC1=CC=NC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195281	1	46	-1.0	-47.65	385.75	6.36	-41.29
O=C([C@@H]1CC[C@H](CC2=CC=CC=C2)O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195282	0	44	-1.0	-48.89	354.23	6.72	-42.17
O=C([C@@H]1CC[C@H](CC2=CC=CC=C2)O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195282	1	44	-1.0	-48.93	354.31	6.74	-42.19
O=C(C[C@@H]1NC(=O)C2=CC=CC=C2NC1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195283	0	42	-1.0	-51.38	347.08	0.72	-50.66
O=C(C[C@@H]1NC(=O)C2=CC=CC=C2NC1=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195283	1	42	-1.0	-51.36	347.15	0.74	-50.62
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(C2=CC=NC3=CC=CC=C32)CC1	REAL300020195284	0	42	-1.0	-44.95	342.30	5.84	-39.11
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(C2=CC=NC3=CC=CC=C32)CC1	REAL300020195284	1	42	-1.0	-44.94	342.23	5.82	-39.12
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(C2CCCCO2)CCC1	REAL300020195285	0	44	-1.0	-41.45	328.10	4.27	-37.18
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(C2CCCCO2)CCC1	REAL300020195285	1	44	-1.0	-41.44	328.17	4.29	-37.15
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(C2=CC=C([N+](=O)[O-])C=C2)CCC1	REAL300020195286	0	42	-1.0	-44.76	342.71	6.56	-38.20
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(C2=CC=C([N+](=O)[O-])C=C2)CCC1	REAL300020195286	1	42	-1.0	-44.79	342.78	6.56	-38.23
CC(C)(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=CC(C(F)(F)F)=N1	REAL300020195287	0	41	-1.0	-55.16	336.20	4.92	-50.24
CC(C)(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=CC(C(F)(F)F)=N1	REAL300020195287	1	41	-1.0	-55.17	336.12	4.91	-50.26
COC1=CC=C(F)C(OC)=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195288	0	38	-1.0	-47.56	328.47	2.78	-44.78
COC1=CC=C(F)C(OC)=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195288	1	38	-1.0	-47.60	328.54	2.79	-44.81
COC1=CC=NC(OC)=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195289	0	37	-1.0	-48.97	316.16	0.06	-48.91
COC1=CC=NC(OC)=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195289	1	37	-1.0	-48.98	316.08	0.05	-48.93
O=C([C@@H]1CCO[C@H]1C1=CC=NN1CC1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195290	0	51	-1.0	-45.00	403.10	6.75	-38.25
O=C([C@@H]1CCO[C@H]1C1=CC=NN1CC1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195290	1	51	-1.0	-45.04	403.17	6.75	-38.29
COC(=O)C1=NN(C)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020195291	0	36	-1.0	-41.20	307.14	2.01	-39.19
COC(=O)C1=NN(C)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020195291	1	36	-1.0	-41.23	307.07	2.01	-39.22
COC(=O)[C@@H]1O[C@@H](C(=O)N2CCC(C3=N[N-]N=N3)C2)C[C@H]1C	REAL300020195292	0	40	-1.0	-49.68	329.04	4.09	-45.59
COC(=O)[C@@H]1O[C@@H](C(=O)N2CCC(C3=NN=N[N-]3)C2)C[C@H]1C	REAL300020195292	1	40	-1.0	-49.69	329.11	4.10	-45.59
CC(C)C1=CC=CC=C1NC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020195293	0	51	-1.0	-43.94	396.86	7.67	-36.27
CC(C)C1=CC=CC=C1NC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020195293	1	51	-1.0	-43.96	396.94	7.68	-36.28
COC1=CC=CC=C1NC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020195294	0	46	-1.0	-45.81	371.27	5.37	-40.44
COC1=CC=CC=C1NC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020195294	1	46	-1.0	-45.82	371.34	5.38	-40.44
COC1=CC=C(NC2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2)C(OC)=C1	REAL300020195295	0	50	-1.0	-45.48	397.78	4.57	-40.91
COC1=CC=C(NC2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2)C(OC)=C1	REAL300020195295	1	50	-1.0	-45.53	397.85	4.59	-40.94
CC(C)(C)C1=CC=CC=C1NC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020195296	0	54	-1.0	-43.78	406.72	8.75	-35.03
CC(C)(C)C1=CC=CC=C1NC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020195296	1	54	-1.0	-43.81	406.79	8.77	-35.04
O=C(C=CC1=CC=C(Cl)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195297	0	31	-1.0	-41.98	297.04	4.94	-37.04
O=C(C=CC1=CC=C(Cl)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195297	1	31	-1.0	-41.98	297.12	4.95	-37.03
O=C(C=CC1=CC=CC=C1OC(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020195298	0	38	-1.0	-46.74	334.75	5.11	-41.63
O=C(C=CC1=CC=CC=C1OC(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020195298	1	38	-1.0	-46.72	334.82	5.11	-41.61
O=C(C1=NN(C2CCOCC2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195299	0	41	-1.0	-44.53	331.15	2.83	-41.70
O=C(C1=NN(C2CCOCC2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195299	1	41	-1.0	-44.54	331.07	2.83	-41.71
CC1(C)C2(C)CCC1(C(=O)N1CCC(C3=N[N-]N=N3)C1)OC2=O	REAL300020195300	0	43	-1.0	-42.09	323.90	4.43	-37.66
CC1(C)[C@@]2(C)CC[C@]1(C(=O)N1CCC(C3=NN=N[N-]3)C1)OC2=O	REAL300020195300	1	43	-1.0	-43.44	330.35	4.63	-38.81
O=C(C1C2CC3=C(Br)C=CC=C3C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020195301	0	38	-1.0	-46.11	327.34	7.09	-39.02
O=C(C1C2CC3=C(Br)C=CC=C3C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020195301	1	38	-1.0	-46.15	327.41	7.11	-39.04
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C(C2=CC=CC=C2)O1	REAL300020195302	0	40	-1.0	-42.70	332.34	6.27	-36.43
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C(C2=CC=CC=C2)O1	REAL300020195302	1	40	-1.0	-42.73	332.41	6.28	-36.45
O=C(C1CNC(=O)C2=CC=CC=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020195303	0	38	-1.0	-53.34	315.70	2.24	-51.10
O=C(C1CNC(=O)C2=CC=CC=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020195303	1	38	-1.0	-53.34	315.78	2.25	-51.09
CC1=CN(CC(=O)N2CCC(C3=NN=N[N-]3)C2)N=C1C(F)(F)F	REAL300020195304	0	36	-1.0	-54.01	322.63	3.78	-50.23
CC1=CN(CC(=O)N2CCC(C3=N[N-]N=N3)C2)N=C1C(F)(F)F	REAL300020195304	1	36	-1.0	-53.97	322.56	3.76	-50.21
CC(C)(C)OC(=O)N[C@H](CO)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195305	0	44	-1.0	-44.12	354.66	-1.74	-45.86
CC(C)(C)OC(=O)N[C@H](CO)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195305	1	44	-1.0	-44.15	354.73	-1.72	-45.87
COC1=CC(CO)=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195306	0	38	-1.0	-48.78	315.42	1.15	-47.63
COC1=CC(CO)=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195306	1	38	-1.0	-48.78	315.50	1.16	-47.62
O=C(CC1CCN(CC(F)F)CC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195307	0	44	-1.0	-47.11	338.39	3.11	-44.00
O=C(CC1CCN(CC(F)F)CC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195307	1	44	-1.0	-47.11	338.47	3.11	-44.00
COC1=CC(OC)=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1C=O	REAL300020195308	0	40	-1.0	-49.55	333.22	4.06	-45.49
COC1=CC(OC)=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1C=O	REAL300020195308	1	40	-1.0	-49.56	333.29	4.07	-45.49
NC1=C2N=CN(CCCC(=O)N3CCC(C4=N[N-]N=N4)C3)C2=NC=N1	REAL300020195309	0	42	-1.0	-54.61	355.73	4.93	-49.68
NC1=C2N=CN(CCCC(=O)N3CCC(C4=NN=N[N-]4)C3)C2=NC=N1	REAL300020195309	1	42	-1.0	-54.59	355.80	4.94	-49.65
NC1=C2N=CN(CCCCC(=O)N3CCC(C4=N[N-]N=N4)C3)C2=NC=N1	REAL300020195310	0	45	-1.0	-49.84	377.22	5.71	-44.13
NC1=C2N=CN(CCCCC(=O)N3CCC(C4=NN=N[N-]4)C3)C2=NC=N1	REAL300020195310	1	45	-1.0	-49.86	377.30	5.73	-44.13
O=C(CC(O)COCC1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195311	0	44	-1.0	-51.32	367.52	3.46	-47.86
O=C(CC(O)COCC1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195311	1	44	-1.0	-51.32	367.59	3.48	-47.84
O=C(C1CC(O)(C2=CC=CC(Cl)=C2)C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195312	0	41	-1.0	-48.66	345.00	5.04	-43.62
O=C(C1CC(O)(C2=CC=CC(Cl)=C2)C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195312	1	41	-1.0	-48.68	345.08	5.06	-43.62
CN(C(=O)OC(C)(C)C)C1CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020195313	0	50	-1.0	-45.01	388.14	4.92	-40.09
CN(C(=O)OC(C)(C)C)C1CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020195313	1	50	-1.0	-44.97	388.21	4.94	-40.03
O=C(C1=C2C=CC=CN2C(C(F)(F)F)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195314	0	36	-1.0	-46.37	320.81	5.75	-40.62
O=C(C1=C2C=CC=CN2C(C(F)(F)F)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195314	1	36	-1.0	-46.38	320.74	5.74	-40.64
CS(C)(=O)=NC1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020195315	0	40	-1.0	-58.00	330.60	1.88	-56.12
CS(C)(=O)=NC1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020195315	1	40	-1.0	-58.00	330.68	1.89	-56.11
CC1CCC2=NC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=CN2C1	REAL300020195316	0	40	-1.0	-45.36	321.05	5.15	-40.21
CC1CCC2=NC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=CN2C1	REAL300020195316	1	40	-1.0	-45.37	321.12	5.17	-40.20
O=C(C1=CC=CC=C1C1=CC=NC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195317	0	39	-1.0	-47.08	326.69	5.44	-41.64
O=C(C1=CC=CC=C1C1=CC=NC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195317	1	39	-1.0	-47.08	326.61	5.44	-41.64
O=C(C=CC1=CC=CC(C2=CC=CC=C2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195318	0	44	-1.0	-45.51	364.06	8.64	-36.87
O=C(C=CC1=CC=CC(C2=CC=CC=C2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195318	1	44	-1.0	-45.49	364.13	8.66	-36.83
O=C(C1=CN=CC(N2CCCC2=O)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195319	0	40	-1.0	-47.23	321.30	2.90	-44.33
O=C(C1=CN=CC(N2CCCC2=O)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195319	1	40	-1.0	-47.24	321.23	2.88	-44.36
NC(=O)C1=CC=C(CC(=O)N2CCC(C3=NN=N[N-]3)C2)C=N1	REAL300020195320	0	36	-1.0	-49.21	312.60	-0.17	-49.38
NC(=O)C1=CC=C(CC(=O)N2CCC(C3=N[N-]N=N3)C2)C=N1	REAL300020195320	1	36	-1.0	-49.19	312.52	-0.17	-49.36
CC1=C(C)C(=O)N(CCC(=O)N2CCC(C3=N[N-]N=N3)C2)C1=O	REAL300020195321	0	40	-1.0	-47.06	343.63	3.39	-43.67
CC1=C(C)C(=O)N(CCC(=O)N2CCC(C3=NN=N[N-]3)C2)C1=O	REAL300020195321	1	40	-1.0	-47.07	343.71	3.40	-43.67
O=C(C1CC2CSCC(C1)C2=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195322	0	40	-1.0	-44.20	309.61	4.26	-39.94
O=C(C1CC2CSCC(C1)C2=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195322	1	40	-1.0	-44.15	309.68	4.27	-39.88
CCOC(=O)C1CCCN(CC(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020195323	0	47	-1.0	-48.47	373.09	3.72	-44.75
CCOC(=O)C1CCC[N@H+](CC(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020195323	1	48	0.0	-62.91	374.67	5.88	-57.03
CCOC(=O)C1CCC[N@@H+](CC(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020195323	1	48	0.0	-62.77	374.66	5.88	-56.89
CCOC(=O)C1CCCN(CC(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020195323	1	47	-1.0	-48.49	373.16	3.72	-44.77
CCC(C)C(C(=O)N1CCC(C2=N[N-]N=N2)C1)N1C=CC=C1C=O	REAL300020195324	0	45	-1.0	-43.10	346.11	5.14	-37.96
CCC(C)C(C(=O)N1CCC(C2=NN=N[N-]2)C1)N1C=CC=C1C=O	REAL300020195324	1	45	-1.0	-43.09	346.19	5.16	-37.93
O=C(C1CCC([NH+]2CCOCC2)CC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195325	0	50	0.0	-58.37	367.17	4.60	-53.77
O=C(C1CCC([NH+]2CCOCC2)CC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195325	1	50	0.0	-58.34	367.24	4.61	-53.73
O=C(C1CCC(N2CCOCC2)CC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020195325	1	49	-1.0	-37.22	354.06	2.09	-35.13
O=C(C1CCC(N2CCOCC2)CC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020195325	1	49	-1.0	-37.21	354.13	2.09	-35.12
CC1=NNC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1C(F)(F)F	REAL300020195326	0	33	-1.0	-41.66	284.58	2.08	-39.58
CC1=NNC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1C(F)(F)F	REAL300020195326	1	33	-1.0	-41.64	284.65	2.09	-39.55
O=CC1=CC(F)=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1F	REAL300020195327	0	32	-1.0	-47.54	287.60	3.59	-43.95
O=CC1=CC(F)=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1F	REAL300020195327	1	32	-1.0	-47.55	287.67	3.59	-43.96
CC1(C)CN(C(=O)OCC2=CC=CC=C2)C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195328	0	51	-1.0	-55.89	413.92	7.13	-48.76
CC1(C)CN(C(=O)OCC2=CC=CC=C2)C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195328	1	51	-1.0	-55.90	414.00	7.14	-48.76
CN1CCOC2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=C21	REAL300020195329	0	40	-1.0	-43.77	315.84	2.17	-41.60
CN1CCOC2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=C21	REAL300020195329	1	40	-1.0	-43.79	315.92	2.19	-41.60
CC1CCN2C=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)N=C2C1	REAL300020195330	0	40	-1.0	-45.56	321.04	5.18	-40.38
CC1CCN2C=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)N=C2C1	REAL300020195330	1	40	-1.0	-45.57	321.12	5.18	-40.39
CC(C)(C[NH+]1CCOCC1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195331	0	46	0.0	-60.90	326.13	2.98	-57.92
CC(C)(C[NH+]1CCOCC1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195331	1	46	0.0	-60.90	326.21	2.99	-57.91
CC(C)(CN1CCOCC1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020195331	1	45	-1.0	-43.19	329.80	1.18	-42.01
CC(C)(CN1CCOCC1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020195331	1	45	-1.0	-43.24	329.88	1.19	-42.05
O=C(CN1C(=O)NC2(CCOCC2)C1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197529	0	43	-1.0	-50.01	352.79	0.35	-49.66
O=C(CN1C(=O)NC2(CCOCC2)C1=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197529	1	43	-1.0	-50.06	352.86	0.36	-49.70
O=C(C1=CC=CC2=CC(Cl)=CC=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020197530	0	36	-1.0	-44.41	314.55	6.45	-37.96
O=C(C1=CC=CC2=CC(Cl)=CC=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020197530	1	36	-1.0	-44.41	314.63	6.46	-37.95
O=C(CC1CCC2=CC(Br)=CC=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020197531	0	40	-1.0	-44.95	339.28	7.15	-37.80
O=C(CC1CCC2=CC(Br)=CC=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020197531	1	40	-1.0	-44.99	339.35	7.17	-37.82
O=C(C1=CN=CC(C2=CC=C(F)C=C2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197532	0	39	-1.0	-43.76	325.86	5.28	-38.48
O=C(C1=CN=CC(C2=CC=C(F)C=C2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197532	1	39	-1.0	-43.75	325.78	5.28	-38.47
O=C(C1=C(Cl)SC2=C1SN=N2)N1CCC(C2=NN=N[N-]2)C1	REAL300020197533	0	28	-1.0	-40.21	292.38	2.39	-37.82
O=C(C1=C(Cl)SC2=C1SN=N2)N1CCC(C2=N[N-]N=N2)C1	REAL300020197533	1	28	-1.0	-40.24	292.31	2.37	-37.87
CC(C)(C)OC(=O)N1CC(C)(C)C[C@H]1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197534	0	53	-1.0	-52.34	408.96	5.39	-46.95
CC(C)(C)OC(=O)N1CC(C)(C)C[C@H]1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197534	1	53	-1.0	-52.34	409.04	5.41	-46.93
CC(C)(C)OC(=O)N1CC(C)(C)CC1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197535	0	53	-1.0	-50.70	409.04	5.41	-45.29
CC(C)(C)OC(=O)N1CC(C)(C)CC1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197535	1	53	-1.0	-50.66	409.12	5.43	-45.23
COC(=O)C1=COC2=C1NC(C(=O)N1CCC(C3=N[N-]N=N3)C1)=C2	REAL300020197536	0	37	-1.0	-45.79	321.99	2.95	-42.84
COC(=O)C1=COC2=C1NC(C(=O)N1CCC(C3=NN=N[N-]3)C1)=C2	REAL300020197536	1	37	-1.0	-45.83	322.07	2.96	-42.87
COC(=O)C1=CC(C)=C2C=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)NC2=C1	REAL300020197537	0	43	-1.0	-43.23	359.73	5.37	-37.86
COC(=O)C1=CC(C)=C2C=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)NC2=C1	REAL300020197537	1	43	-1.0	-43.25	359.81	5.37	-37.88
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)N=C(C2=NNC=N2)S1	REAL300020197538	0	35	-1.0	-47.38	313.63	3.13	-44.25
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)N=C(C2=NNC=N2)S1	REAL300020197538	1	35	-1.0	-47.38	313.70	3.14	-44.24
O=C(C1=CC(CC2=CC=CC=C2)=CN1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197539	0	41	-1.0	-46.24	341.02	6.43	-39.81
O=C(C1=CC(CC2=CC=CC=C2)=CN1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197539	1	41	-1.0	-46.20	341.10	6.43	-39.77
COC(=O)C1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1C	REAL300020197540	0	39	-1.0	-47.67	321.14	4.84	-42.83
COC(=O)C1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1C	REAL300020197540	1	39	-1.0	-47.70	321.22	4.85	-42.85
CC(C)(C)OC(=O)NCC1(C(=O)N2CCC(C3=N[N-]N=N3)C2)CCCO1	REAL300020197541	0	51	-1.0	-44.39	388.18	2.31	-42.08
CC(C)(C)OC(=O)NCC1(C(=O)N2CCC(C3=NN=N[N-]3)C2)CCCO1	REAL300020197541	1	51	-1.0	-44.41	388.25	2.32	-42.09
CC(C)(C)OC(=O)NC1(C(=O)N2CCC(C3=N[N-]N=N3)C2)CC=CC1	REAL300020197542	0	48	-1.0	-49.48	371.15	3.92	-45.56
CC(C)(C)OC(=O)NC1(C(=O)N2CCC(C3=NN=N[N-]3)C2)CC=CC1	REAL300020197542	1	48	-1.0	-49.56	371.22	3.94	-45.62
O=C(C1=CC=C2NC(C3=CC=CC=C3)=NC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197543	0	43	-1.0	-46.53	355.26	6.12	-40.41
O=C(C1=CC=C2NC(C3=CC=CC=C3)=NC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197543	1	43	-1.0	-46.58	355.34	6.12	-40.46
O=C(C1=CC=C(C2=CSC=C2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197544	0	37	-1.0	-44.31	315.00	5.97	-38.34
O=C(C1=CC=C(C2=CSC=C2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197544	1	37	-1.0	-44.31	315.07	5.99	-38.32
O=C(C1=CC=C2CCOC(=O)C2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197545	0	37	-1.0	-47.94	305.84	4.50	-43.44
O=C(C1=CC=C2CCOC(=O)C2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197545	1	37	-1.0	-47.93	305.91	4.52	-43.41
CC(C)(C)OC(=O)N1CCC2=C(C1)C(C(=O)N1CCC(C3=N[N-]N=N3)C1)=NO2	REAL300020197546	0	50	-1.0	-47.45	397.12	4.87	-42.58
CC(C)(C)OC(=O)N1CCC2=C(C1)C(C(=O)N1CCC(C3=NN=N[N-]3)C1)=NO2	REAL300020197546	1	50	-1.0	-47.51	397.20	4.87	-42.64
CC(C)C(CCNC(=O)OC(C)(C)C)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197547	0	55	-1.0	-44.60	413.78	3.64	-40.96
CC(C)C(CCNC(=O)OC(C)(C)C)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197547	1	55	-1.0	-44.59	413.85	3.65	-40.94
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CC1=CC=C(C(=O)C2=CC=C(CC(=O)N3CCC(C4=N[N-]N=N4)C3)N2C)C=C1	REAL300020197573	0	49	-1.0	-50.24	401.23	7.93	-42.31
CC1=CC=C(C(=O)C2=CC=C(CC(=O)N3CCC(C4=NN=N[N-]4)C3)N2C)C=C1	REAL300020197573	1	49	-1.0	-50.23	401.30	7.93	-42.30
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)NC2=CC(F)=CC(F)=C21	REAL300020197574	0	37	-1.0	-40.57	312.75	4.84	-35.73
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)NC2=CC(F)=CC(F)=C21	REAL300020197574	1	37	-1.0	-40.57	312.82	4.86	-35.71
CC(C)(C)OC(=O)NCC1=CC=NC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020197575	0	49	-1.0	-46.69	397.65	3.17	-43.52
CC(C)(C)OC(=O)NCC1=CC=NC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020197575	1	49	-1.0	-46.65	397.73	3.18	-43.47
CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](C(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020197576	0	53	-1.0	-39.10	406.57	3.99	-35.11
CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](C(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020197576	1	53	-1.0	-39.04	406.64	3.99	-35.05
O=C(C1=CC=C(Cl)C(F)=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020197577	0	30	-1.0	-44.52	282.24	4.34	-40.18
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COC(=O)CC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020197578	0	39	-1.0	-48.60	326.86	5.02	-43.58
COC(=O)CC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020197578	1	39	-1.0	-48.60	326.93	5.03	-43.57
CC(C)(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197579	0	56	-1.0	-43.27	432.39	2.77	-40.50
CC(C)(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197579	1	56	-1.0	-43.28	432.47	2.78	-40.50
CC(C)(C)OC(=O)NC(CC1CCOCC1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197580	0	57	-1.0	-40.71	424.72	2.68	-38.03
CC(C)(C)OC(=O)NC(CC1CCOCC1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197580	1	57	-1.0	-40.65	424.79	2.68	-37.97
NC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C(F)C(F)=C1F	REAL300020197581	0	32	-1.0	-37.93	284.08	2.01	-35.92
NC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C(F)C(F)=C1F	REAL300020197581	1	32	-1.0	-37.96	284.16	2.01	-35.95
CC(C)(C)OC(=O)N1CCC[C@H](CC(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020197582	0	53	-1.0	-54.01	403.45	5.70	-48.31
CC(C)(C)OC(=O)N1CCC[C@H](CC(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020197582	1	53	-1.0	-53.98	403.53	5.71	-48.27
CC(C)(C)OC(=O)N1CCC1(C)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197583	0	47	-1.0	-57.17	361.69	4.29	-52.88
CC(C)(C)OC(=O)N1CCC1(C)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197583	1	47	-1.0	-57.19	361.76	4.31	-52.88
CC(C)(C)CC(NC(=O)OC(C)(C)C)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197584	0	55	-1.0	-40.05	398.09	5.37	-34.68
CC(C)(C)CC(NC(=O)OC(C)(C)C)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197584	1	55	-1.0	-40.06	398.17	5.38	-34.68
CC(C)OCCC(NC(=O)OC(C)(C)C)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197585	0	56	-1.0	-51.58	431.04	3.76	-47.82
CC(C)OCCC(NC(=O)OC(C)(C)C)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197585	1	56	-1.0	-51.58	431.12	3.78	-47.80
O=C(C1=C(Br)C=CN=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020197586	0	29	-1.0	-44.63	281.27	2.62	-42.01
O=C(C1=C(Br)C=CN=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020197586	1	29	-1.0	-44.62	281.20	2.61	-42.01
CC(C)(C)OC(=O)N1CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)CC(F)(F)C1	REAL300020197587	0	50	-1.0	-42.42	395.78	4.97	-37.45
CC(C)(C)OC(=O)N1CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)CC(F)(F)C1	REAL300020197587	1	50	-1.0	-42.43	395.86	4.98	-37.45
CC(C)(C)OC(=O)N1CCC2=CC=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C2C1	REAL300020197588	0	54	-1.0	-53.11	416.75	6.79	-46.32
CC(C)(C)OC(=O)N1CCC2=CC=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C2C1	REAL300020197588	1	54	-1.0	-53.12	416.82	6.80	-46.32
NC1=C(F)C=C(F)C(F)=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197589	0	32	-1.0	-41.60	291.19	2.01	-39.59
NC1=C(F)C=C(F)C(F)=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197589	1	32	-1.0	-41.59	291.27	2.01	-39.58
CC(C)(C)OC(=O)NCC1=NC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CO1	REAL300020197590	0	46	-1.0	-43.11	380.42	-0.22	-43.33
CC(C)(C)OC(=O)NCC1=NC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CO1	REAL300020197590	1	46	-1.0	-43.11	380.49	-0.21	-43.32
CN(C)C1=CC=C(Br)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020197591	0	38	-1.0	-43.43	325.10	4.75	-38.68
CN(C)C1=CC=C(Br)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020197591	1	38	-1.0	-43.46	325.17	4.75	-38.71
O=C(C1=CC=C2C(=C1)CCCS2(=O)=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197592	0	40	-1.0	-51.10	331.23	2.09	-49.01
O=C(C1=CC=C2C(=C1)CCCS2(=O)=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197592	1	40	-1.0	-51.08	331.31	2.11	-48.97
CC(C)(C)OC(=O)NC(C)(C(=O)N1CCC(C2=N[N-]N=N2)C1)C(F)(F)F	REAL300020197593	0	46	-1.0	-41.58	364.79	3.05	-38.53
CC(C)(C)OC(=O)NC(C)(C(=O)N1CCC(C2=NN=N[N-]2)C1)C(F)(F)F	REAL300020197593	1	46	-1.0	-41.61	364.86	3.06	-38.55
CC(C)(C)OC(=O)NCC1(C(=O)N2CCC(C3=N[N-]N=N3)C2)CC2(CCC2)C1	REAL300020197594	0	57	-1.0	-44.54	430.40	4.77	-39.77
CC(C)(C)OC(=O)NCC1(C(=O)N2CCC(C3=NN=N[N-]3)C2)CC2(CCC2)C1	REAL300020197594	1	57	-1.0	-44.57	430.48	4.78	-39.79
O=C(N1CCC(C2=N[N-]N=N2)C1)C12CCN(CCC1)S2(=O)=O	REAL300020197595	0	39	-1.0	-52.03	304.60	-0.09	-52.12
O=C(N1CCC(C2=NN=N[N-]2)C1)C12CCN(CCC1)S2(=O)=O	REAL300020197595	1	39	-1.0	-52.08	304.67	-0.09	-52.17
O=C(C1=CC=CN=C1OC1=CC=CN=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197596	0	39	-1.0	-51.76	334.61	2.97	-48.79
O=C(C1=CC=CN=C1OC1=CC=CN=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197596	1	39	-1.0	-51.80	334.54	2.95	-48.85
CC1=CC=CC(C2(C(=O)N3CCC(C4=N[N-]N=N4)C3)CC2(F)F)=C1	REAL300020197597	0	40	-1.0	-41.71	332.83	6.42	-35.29
CC1=CC=CC(C2(C(=O)N3CCC(C4=NN=N[N-]4)C3)CC2(F)F)=C1	REAL300020197597	1	40	-1.0	-41.72	332.90	6.44	-35.28
O=C(C1=C(C2CC2)ON=C1Br)N1CCC(C2=N[N-]N=N2)C1	REAL300020197598	0	33	-1.0	-40.29	310.90	4.36	-35.93
O=C(C1=C(C2CC2)ON=C1Br)N1CCC(C2=NN=N[N-]2)C1	REAL300020197598	1	33	-1.0	-40.32	310.97	4.37	-35.95
O=C(C1=CC2=C(N1)C(Br)=CO2)N1CCC(C2=N[N-]N=N2)C1	REAL300020197599	0	31	-1.0	-41.64	286.50	2.79	-38.85
O=C(C1=CC2=C(N1)C(Br)=CO2)N1CCC(C2=NN=N[N-]2)C1	REAL300020197599	1	31	-1.0	-41.64	286.57	2.81	-38.83
CC(C)C1=CNC2=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=NC2=C1	REAL300020197600	0	42	-1.0	-57.20	342.76	4.45	-52.75
CC(C)C1=CNC2=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=NC2=C1	REAL300020197600	1	42	-1.0	-57.17	342.83	4.45	-52.72
O=C(CC1=CC2=C(C=C1Br)OCO2)N1CCC(C2=N[N-]N=N2)C1	REAL300020197601	0	36	-1.0	-46.01	324.44	3.91	-42.10
O=C(CC1=CC2=C(C=C1Br)OCO2)N1CCC(C2=NN=N[N-]2)C1	REAL300020197601	1	36	-1.0	-46.05	324.51	3.92	-42.13
O=C(C1=C(Br)SC2=C1SN=N2)N1CCC(C2=NN=N[N-]2)C1	REAL300020197602	0	28	-1.0	-39.71	296.81	2.48	-37.23
O=C(C1=C(Br)SC2=C1SN=N2)N1CCC(C2=N[N-]N=N2)C1	REAL300020197602	1	28	-1.0	-39.68	296.73	2.47	-37.21
O=C(C1=NC2=CC(Br)=CNC2=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197603	0	32	-1.0	-57.79	298.87	3.01	-54.78
O=C(C1=NC2=CC(Br)=CNC2=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197603	1	32	-1.0	-57.75	298.95	3.03	-54.72
CC(C)(C)OC(=O)NC1CCCN(CC(=O)N2CCC(C3=N[N-]N=N3)C2)C1=O	REAL300020197604	0	54	-1.0	-56.93	424.56	2.97	-53.96
CC(C)(C)OC(=O)NC1CCCN(CC(=O)N2CCC(C3=NN=N[N-]3)C2)C1=O	REAL300020197604	1	54	-1.0	-56.93	424.64	2.98	-53.95
CC(C)(C)OC(=O)N1CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)C2(CCCC2)C1	REAL300020197605	0	57	-1.0	-43.92	420.15	5.90	-38.02
CC(C)(C)OC(=O)N1CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)C2(CCCC2)C1	REAL300020197605	1	57	-1.0	-43.92	420.23	5.91	-38.01
CCOCCC(NC(=O)OC(C)(C)C)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197606	0	53	-1.0	-51.56	410.77	3.01	-48.55
CCOCCC(NC(=O)OC(C)(C)C)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197606	1	53	-1.0	-51.57	410.84	3.02	-48.55
CC(C)(C)OC(=O)N1CCC(C(=O)N2CCC(C3=N[N-]N=N3)C2)C2=CC=CC=C21	REAL300020197607	0	54	-1.0	-46.92	414.79	6.91	-40.01
CC(C)(C)OC(=O)N1CCC(C(=O)N2CCC(C3=NN=N[N-]3)C2)C2=CC=CC=C21	REAL300020197607	1	54	-1.0	-46.88	414.86	6.92	-39.96
C#CCC1(C(=O)N2CCC(C3=N[N-]N=N3)C2)CCN(C(=O)OC(C)(C)C)C1	REAL300020197608	0	52	-1.0	-52.90	403.04	5.21	-47.69
C#CCC1(C(=O)N2CCC(C3=NN=N[N-]3)C2)CCN(C(=O)OC(C)(C)C)C1	REAL300020197608	1	52	-1.0	-52.91	403.12	5.23	-47.68
CC(C)(C)OC(=O)N1CCN2C(=CC=C2C(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020197609	0	52	-1.0	-47.06	400.77	5.45	-41.61
CC(C)(C)OC(=O)N1CCN2C(=CC=C2C(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020197609	1	52	-1.0	-47.09	400.84	5.45	-41.64
CCOC1=CC(Br)=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1N	REAL300020197610	0	39	-1.0	-40.17	337.70	2.73	-37.44
CCOC1=CC(Br)=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1N	REAL300020197610	1	39	-1.0	-40.14	337.78	2.74	-37.40
CC(C)(C)OC(=O)N1CC2(CCC2)C(F)(C(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020197611	0	54	-1.0	-40.98	409.11	5.33	-35.65
CC(C)(C)OC(=O)N1CC2(CCC2)C(F)(C(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020197611	1	54	-1.0	-40.95	409.18	5.35	-35.60
O=C([C@@H]1C[C@H]1C1=CC=CC=C1Br)N1CCC(C2=N[N-]N=N2)C1	REAL300020197612	0	37	-1.0	-46.30	326.41	6.58	-39.72
O=C([C@@H]1C[C@H]1C1=CC=CC=C1Br)N1CCC(C2=NN=N[N-]2)C1	REAL300020197612	1	37	-1.0	-46.34	326.48	6.59	-39.75
CN1N=CC=C1C(NC(=O)OC(C)(C)C)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197613	0	50	-1.0	-43.78	398.08	1.97	-41.81
CN1N=CC=C1C(NC(=O)OC(C)(C)C)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197613	1	50	-1.0	-43.76	398.15	1.98	-41.78
C=CCN(CCC(=O)N1CCC(C2=N[N-]N=N2)C1)C(=O)OC(C)(C)C	REAL300020197614	0	50	-1.0	-45.36	401.76	5.72	-39.64
C=CCN(CCC(=O)N1CCC(C2=NN=N[N-]2)C1)C(=O)OC(C)(C)C	REAL300020197614	1	50	-1.0	-45.35	401.84	5.74	-39.61
CC(C)CC(ONC(=O)OC(C)(C)C)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197615	0	53	-1.0	-51.94	407.42	4.56	-47.38
CC(C)CC(ONC(=O)OC(C)(C)C)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197615	1	53	-1.0	-51.98	407.50	4.58	-47.40
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=CC2=CC=CC=C21	REAL300020197616	0	39	-1.0	-43.63	315.00	6.47	-37.16
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=CC2=CC=CC=C21	REAL300020197616	1	39	-1.0	-43.63	315.08	6.48	-37.15
COC1=CC=CC(CCC(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020197617	0	39	-1.0	-43.64	328.52	2.32	-41.32
COC1=CC=CC(CCC(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020197617	1	39	-1.0	-43.65	328.59	2.32	-41.33
CN1N=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C2=C1CCOC2	REAL300020197618	0	38	-1.0	-46.98	310.74	1.97	-45.01
CN1N=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C2=C1CCOC2	REAL300020197618	1	38	-1.0	-46.96	310.81	1.97	-44.99
CC1=CC=C(C2(C(=O)N3CCC(C4=N[N-]N=N4)C3)CCC(=O)CC2)C=C1	REAL300020197619	0	48	-1.0	-43.67	361.98	6.51	-37.16
CC1=CC=C(C2(C(=O)N3CCC(C4=NN=N[N-]4)C3)CCC(=O)CC2)C=C1	REAL300020197619	1	48	-1.0	-43.73	362.06	6.53	-37.20
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(C2CCOCC2)CC1(F)F	REAL300020197620	0	41	-1.0	-43.38	321.67	3.50	-39.88
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(C2CCOCC2)CC1(F)F	REAL300020197620	1	41	-1.0	-43.36	321.74	3.51	-39.85
O=C(C1=CC=C(C(F)(F)F)N=C1C(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020197621	0	35	-1.0	-44.55	322.91	4.00	-40.55
O=C(C1=CC=C(C(F)(F)F)N=C1C(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020197621	1	35	-1.0	-44.53	322.85	3.98	-40.55
CN1N=CC2=NC(C(F)(F)F)=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=C21	REAL300020197622	0	38	-1.0	-45.23	332.53	2.77	-42.46
CN1N=CC2=NC(C(F)(F)F)=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=C21	REAL300020197622	1	38	-1.0	-45.21	332.46	2.77	-42.44
CN1C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC2=C1C=CS2	REAL300020197623	0	34	-1.0	-42.53	291.87	4.29	-38.24
CN1C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC2=C1C=CS2	REAL300020197623	1	34	-1.0	-42.52	291.94	4.29	-38.23
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=NN1CC(F)F	REAL300020197624	0	36	-1.0	-44.03	303.03	2.94	-41.09
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=NN1CC(F)F	REAL300020197624	1	36	-1.0	-44.07	303.10	2.95	-41.12
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=NN1C1CCC1	REAL300020197625	0	40	-1.0	-44.07	318.55	4.09	-39.98
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=NN1C1CCC1	REAL300020197625	1	40	-1.0	-44.03	318.62	4.10	-39.93
CC(C)(C)OC(=O)NC[C@@H]1C[C@H](C(=O)N2CCC(C3=N[N-]N=N3)C2)CO1	REAL300020197626	0	51	-1.0	-47.02	398.51	1.50	-45.52
CC(C)(C)OC(=O)NC[C@@H]1C[C@H](C(=O)N2CCC(C3=NN=N[N-]3)C2)CO1	REAL300020197626	1	51	-1.0	-47.01	398.59	1.51	-45.50
NC1=CC(CC(=O)N2CCC(C3=N[N-]N=N3)C2)=C(Br)C=C1[N+](=O)[O-]	REAL300020197627	0	37	-1.0	-47.29	336.98	3.99	-43.30
NC1=CC(CC(=O)N2CCC(C3=NN=N[N-]3)C2)=C(Br)C=C1[N+](=O)[O-]	REAL300020197627	1	37	-1.0	-47.31	337.05	3.99	-43.32
CC(C)(C)OC(=O)NC(CC1=CNN=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197628	0	50	-1.0	-42.82	392.49	1.27	-41.55
CC(C)(C)OC(=O)NC(CC1=CNN=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197628	1	50	-1.0	-42.82	392.56	1.28	-41.54
CC(C)(C)OC(=O)N1CCC(C(F)C(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020197629	0	53	-1.0	-45.77	410.44	5.55	-40.22
CC(C)(C)OC(=O)N1CCC(C(F)C(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020197629	1	53	-1.0	-45.77	410.52	5.56	-40.21
COC1(C(=O)N2CCC(C3=N[N-]N=N3)C2)CN(C(=O)OC(C)(C)C)C1	REAL300020197630	0	48	-1.0	-41.80	377.52	2.48	-39.32
COC1(C(=O)N2CCC(C3=NN=N[N-]3)C2)CN(C(=O)OC(C)(C)C)C1	REAL300020197630	1	48	-1.0	-41.75	377.60	2.50	-39.25
CC(C)(C)OC(=O)NC(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1CC2(CCC2)C1	REAL300020197631	0	57	-1.0	-40.54	432.51	6.00	-34.54
CC(C)(C)OC(=O)NC(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1CC2(CCC2)C1	REAL300020197631	1	57	-1.0	-40.57	432.58	6.01	-34.56
CC(C)(C)OC(=O)NC(C(=O)N1CCC(C2=N[N-]N=N2)C1)C1CC(C)(C)C1	REAL300020197632	0	56	-1.0	-39.98	420.95	4.25	-35.73
CC(C)(C)OC(=O)NC(C(=O)N1CCC(C2=NN=N[N-]2)C1)C1CC(C)(C)C1	REAL300020197632	1	56	-1.0	-39.96	421.02	4.27	-35.69
CC(C)(C)OC(=O)NCC1CC2CC1CC2C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197633	0	57	-1.0	-46.11	426.64	4.81	-41.30
CC(C)(C)OC(=O)NCC1CC2CC1CC2C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197633	1	57	-1.0	-46.11	426.71	4.82	-41.29
CC(C)(C)OC(=O)N1CC(O)(C(C)(C)C(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020197634	0	54	-1.0	-49.04	403.41	2.21	-46.83
CC(C)(C)OC(=O)N1CC(O)(C(C)(C)C(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020197634	1	54	-1.0	-49.08	403.48	2.22	-46.86
CC(C)(C)OC(=O)N1CCC(C(=O)N2CCC(C3=N[N-]N=N3)C2)C2C1C2(F)F	REAL300020197635	0	51	-1.0	-52.18	394.11	5.22	-46.96
CC(C)(C)OC(=O)N1CCC(C(=O)N2CCC(C3=NN=N[N-]3)C2)C2C1C2(F)F	REAL300020197635	1	51	-1.0	-52.22	394.18	5.22	-47.00
CC(C)(C)OC(=O)NC1CCCC(C(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020197636	0	56	-1.0	-44.86	418.15	4.39	-40.47
CC(C)(C)OC(=O)NC1CCCC(C(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020197636	1	56	-1.0	-44.86	418.22	4.42	-40.44
CC(C)(C)OC(=O)NC1=CN=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(Cl)=C1	REAL300020197637	0	46	-1.0	-46.01	383.97	3.51	-42.50
CC(C)(C)OC(=O)NC1=CN=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(Cl)=C1	REAL300020197637	1	46	-1.0	-46.05	384.04	3.52	-42.53
CC(C)(C)OC(=O)N1CCC(CF)(C(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020197638	0	53	-1.0	-43.99	391.35	4.86	-39.13
CC(C)(C)OC(=O)N1CCC(CF)(C(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020197638	1	53	-1.0	-43.97	391.43	4.88	-39.09
CC(C)(C)OC(=O)NC12CCC(C(=O)N3CCC(C4=N[N-]N=N4)C3)(CC1)CC2	REAL300020197639	0	57	-1.0	-43.08	408.58	4.06	-39.02
CC(C)(C)OC(=O)NC12CCC(C(=O)N3CCC(C4=NN=N[N-]4)C3)(CC1)CC2	REAL300020197639	1	57	-1.0	-43.11	408.66	4.06	-39.05
CN1C=C(NC(=O)OC(C)(C)C)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020197640	0	47	-1.0	-43.85	377.43	2.37	-41.48
CN1C=C(NC(=O)OC(C)(C)C)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020197640	1	47	-1.0	-43.86	377.50	2.37	-41.49
O=C(C1=CC=CC(Cl)=C1C(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020197641	0	33	-1.0	-48.90	300.38	4.99	-43.91
O=C(C1=CC=CC(Cl)=C1C(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020197641	1	33	-1.0	-48.92	300.45	5.00	-43.92
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(C2=CC=C(Cl)C=C2F)CC1	REAL300020197642	0	37	-1.0	-46.96	328.96	6.27	-40.69
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(C2=CC=C(Cl)C=C2F)CC1	REAL300020197642	1	37	-1.0	-47.01	329.04	6.27	-40.74
COC1=NN(C)C(Br)=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197643	0	34	-1.0	-44.81	316.23	0.17	-44.64
COC1=NN(C)C(Br)=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197643	1	34	-1.0	-44.77	316.15	0.17	-44.60
CC(=O)NC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(F)=C1	REAL300020197644	0	37	-1.0	-54.23	315.82	2.66	-51.57
CC(=O)NC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(F)=C1	REAL300020197644	1	37	-1.0	-54.23	315.90	2.66	-51.57
CO[C@@]1(CNC(=O)OC(C)(C)C)C[C@@H](C(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020197645	0	54	-1.0	-46.32	421.40	2.38	-43.94
CO[C@@]1(CNC(=O)OC(C)(C)C)C[C@@H](C(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020197645	1	54	-1.0	-46.34	421.47	2.40	-43.94
O=C(CC1=CC(C(F)(F)F)=CO1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197646	0	33	-1.0	-46.41	302.30	3.97	-42.44
O=C(CC1=CC(C(F)(F)F)=CO1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197646	1	33	-1.0	-46.35	302.38	3.98	-42.37
CS(=O)(=O)C1(C2=CC=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C2)CC1	REAL300020197647	0	43	-1.0	-57.62	363.04	3.08	-54.54
CS(=O)(=O)C1(C2=CC=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C2)CC1	REAL300020197647	1	43	-1.0	-57.66	363.11	3.09	-54.57
CC1=C2C=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)SC2=C(C)S1	REAL300020197648	0	36	-1.0	-42.52	324.18	5.72	-36.80
CC1=C2C=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)SC2=C(C)S1	REAL300020197648	1	36	-1.0	-42.56	324.26	5.73	-36.83
CC(C)(C)OC(=O)N1CCC2(CCC2)C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197649	0	54	-1.0	-52.13	408.88	5.70	-46.43
CC(C)(C)OC(=O)N1CCC2(CCC2)C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197649	1	54	-1.0	-52.18	408.96	5.72	-46.46
CC(C)(C)OC(=O)N[C@@H]1CC[C@@](C)(C(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020197650	0	53	-1.0	-41.73	397.78	3.51	-38.22
CC(C)(C)OC(=O)N[C@@H]1CC[C@@](C)(C(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020197650	1	53	-1.0	-41.75	397.85	3.52	-38.23
CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(C(=O)N1CCC(C3=N[N-]N=N3)C1)C2	REAL300020197651	0	55	-1.0	-42.49	416.44	6.92	-35.57
CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@@H]1C[C@]1(C(=O)N1CCC(C3=NN=N[N-]3)C1)C2	REAL300020197651	1	55	-1.0	-42.46	416.51	6.94	-35.52
O=C(C1=C2SC(Cl)=C(Cl)C2=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197652	0	33	-1.0	-43.02	323.08	6.17	-36.85
O=C(C1=C2SC(Cl)=C(Cl)C2=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197652	1	33	-1.0	-43.04	323.16	6.19	-36.85
C[C@]12CCCN1S(=O)(=O)[C@H](C(=O)N1CCC(C3=N[N-]N=N3)C1)C2	REAL300020197653	0	42	-1.0	-52.82	327.57	1.18	-51.64
C[C@]12CCCN1S(=O)(=O)[C@H](C(=O)N1CCC(C3=NN=N[N-]3)C1)C2	REAL300020197653	1	42	-1.0	-52.84	327.64	1.18	-51.66
O=C(CN1C=CC2=CC(F)=CC=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020197654	0	37	-1.0	-47.89	320.37	6.28	-41.61
O=C(CN1C=CC2=CC(F)=CC=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020197654	1	37	-1.0	-47.92	320.45	6.28	-41.64
CC1CCC2=CC(F)=CC3=C2N1C=C(C(=O)N1CCC(C2=N[N-]N=N2)C1)C3=O	REAL300020197655	0	46	-1.0	-60.01	375.99	6.78	-53.23
CC1CCC2=CC(F)=CC3=C2N1C=C(C(=O)N1CCC(C2=NN=N[N-]2)C1)C3=O	REAL300020197655	1	46	-1.0	-60.11	376.07	6.79	-53.32
CC1(C)CC(=O)C2=C(C1)OC(=O)C(C(=O)N1CCC(C3=N[N-]N=N3)C1)=C2	REAL300020197656	0	44	-1.0	-52.57	364.10	5.71	-46.86
CC1(C)CC(=O)C2=C(C1)OC(=O)C(C(=O)N1CCC(C3=NN=N[N-]3)C1)=C2	REAL300020197656	1	44	-1.0	-52.59	364.18	5.71	-46.88
O=C(C1=CC2=C(CCCC2=O)OC1=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197657	0	38	-1.0	-53.82	327.31	4.70	-49.12
O=C(C1=CC2=C(CCCC2=O)OC1=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197657	1	38	-1.0	-53.84	327.38	4.71	-49.13
COC1=CC2=NC=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=C2C=C1	REAL300020197658	0	39	-1.0	-44.57	321.80	3.37	-41.20
COC1=CC2=NC=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=C2C=C1	REAL300020197658	1	39	-1.0	-44.49	321.73	3.37	-41.12
CCSC1CCC(C(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020197659	0	43	-1.0	-37.31	333.65	5.80	-31.51
CCSC1CCC(C(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020197659	1	43	-1.0	-37.32	333.72	5.81	-31.51
CC1=CC(CCC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC(C)=N1	REAL300020197660	0	41	-1.0	-43.85	340.23	5.02	-38.83
CC1=CC(CCC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC(C)=N1	REAL300020197660	1	41	-1.0	-43.87	340.31	5.04	-38.83
CC1=CC2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2C=C1	REAL300020197661	0	39	-1.0	-44.48	317.52	6.45	-38.03
CC1=CC2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2C=C1	REAL300020197661	1	39	-1.0	-44.48	317.59	6.47	-38.01
CC(C)(C)OC(=O)N1C2=CC=CC=C2CCC1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197662	0	54	-1.0	-50.94	412.18	7.88	-43.06
CC(C)(C)OC(=O)N1C2=CC=CC=C2CCC1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197662	1	54	-1.0	-50.92	412.25	7.88	-43.04
CC(C)(C)OC(=O)N1CC(C)(C)C[C@@H]1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197663	0	53	-1.0	-52.21	408.71	5.39	-46.82
CC(C)(C)OC(=O)N1CC(C)(C)C[C@@H]1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197663	1	53	-1.0	-52.23	408.78	5.39	-46.84
O=C(C1=CSC(Cl)=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020197664	0	27	-1.0	-44.39	271.44	3.71	-40.68
O=C(C1=CSC(Cl)=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020197664	1	27	-1.0	-44.38	271.52	3.72	-40.66
O=C(C1=CC=CC(N2CCOCC2=O)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197665	0	42	-1.0	-52.90	342.20	2.99	-49.91
O=C(C1=CC=CC(N2CCOCC2=O)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197665	1	42	-1.0	-52.92	342.28	3.01	-49.91
CC1=NN(C2CCC2)C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197666	0	40	-1.0	-45.09	318.44	3.98	-41.11
CC1=NN(C2CCC2)C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197666	1	40	-1.0	-45.12	318.51	4.00	-41.12
O=C(C1=CN(C2=CC=CC(F)=C2)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197667	0	37	-1.0	-44.61	317.34	4.87	-39.74
O=C(C1=CN(C2=CC=CC(F)=C2)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197667	1	37	-1.0	-44.60	317.26	4.86	-39.74
O=C(C1=CNC=C1Br)N1CCC(C2=N[N-]N=N2)C1	REAL300020197668	0	28	-1.0	-49.88	256.79	2.14	-47.74
O=C(C1=CNC=C1Br)N1CCC(C2=NN=N[N-]2)C1	REAL300020197668	1	28	-1.0	-49.85	256.86	2.15	-47.70
O=C(CCNC(=O)C1=CC=CC(Cl)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197669	0	40	-1.0	-54.31	353.93	3.73	-50.58
O=C(CCNC(=O)C1=CC=CC(Cl)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197669	1	40	-1.0	-54.31	354.01	3.73	-50.58
O=C(C1CC(OC(F)(F)F)C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197670	0	34	-1.0	-40.97	299.58	2.61	-38.36
O=C(C1CC(OC(F)(F)F)C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197670	1	34	-1.0	-40.96	299.66	2.62	-38.34
CS(=O)(=O)C1=COC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020197671	0	33	-1.0	-50.20	300.38	-0.48	-50.68
CS(=O)(=O)C1=COC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020197671	1	33	-1.0	-50.20	300.45	-0.47	-50.67
O=C(CC1=CC=C2COCCC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197672	0	41	-1.0	-46.35	334.44	4.85	-41.50
O=C(CC1=CC=C2COCCC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197672	1	41	-1.0	-46.35	334.52	4.86	-41.49
O=C(CC1=CC=C2CCOCC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197673	0	41	-1.0	-45.40	334.36	4.84	-40.56
O=C(CC1=CC=C2CCOCC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197673	1	41	-1.0	-45.46	334.43	4.85	-40.61
O=C(C1=CN=CC(C2=CC=CC(F)=C2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197674	0	39	-1.0	-43.37	325.87	5.29	-38.08
O=C(C1=CN=CC(C2=CC=CC(F)=C2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197674	1	39	-1.0	-43.35	325.79	5.28	-38.07
CC1=NC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1Br	REAL300020197675	0	32	-1.0	-40.15	289.41	3.84	-36.31
CC1=NC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1Br	REAL300020197675	1	32	-1.0	-40.14	289.49	3.86	-36.28
COC1=CC(Br)=CN=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197676	0	33	-1.0	-43.89	298.59	3.94	-39.95
COC1=CC(Br)=CN=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197676	1	33	-1.0	-43.89	298.52	3.92	-39.97
O=C(C1=CC=C2C(=C1)C(=O)CCS2(=O)=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197677	0	39	-1.0	-50.26	333.28	1.19	-49.07
O=C(C1=CC=C2C(=C1)C(=O)CCS2(=O)=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197677	1	39	-1.0	-50.30	333.36	1.20	-49.10
O=C(C1=CC=C2SCCC(=O)C2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197678	0	37	-1.0	-44.00	314.52	4.83	-39.17
O=C(C1=CC=C2SCCC(=O)C2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197678	1	37	-1.0	-44.04	314.59	4.85	-39.19
CCC1=CC=C(N2C=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)N=N2)C=C1	REAL300020197679	0	42	-1.0	-42.34	353.15	5.34	-37.00
CCC1=CC=C(N2C=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)N=N2)C=C1	REAL300020197679	1	42	-1.0	-42.32	353.07	5.34	-36.98
C=CCN(C)S(=O)(=O)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020197680	0	45	-1.0	-47.05	380.52	3.00	-44.05
C=CCN(C)S(=O)(=O)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020197680	1	45	-1.0	-47.01	380.59	3.01	-44.00
C=CCN(C)S(=O)(=O)C1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020197681	0	45	-1.0	-46.69	380.09	3.01	-43.68
C=CCN(C)S(=O)(=O)C1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020197681	1	45	-1.0	-46.65	380.16	3.02	-43.63
O=C(C1=CC=C2C(=O)NC(=S)[N-]C2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197682	0	35	-2.0	-76.68	313.92	2.18	-74.50
O=C(C1=CC=C2C(=O)NC(=S)[N-]C2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197682	1	35	-2.0	-76.70	313.99	2.18	-74.52
CC(C)(C)OC(=O)N1CCC(F)(F)CC1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197683	0	50	-1.0	-49.30	390.08	5.59	-43.71
CC(C)(C)OC(=O)N1CCC(F)(F)CC1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197683	1	50	-1.0	-49.29	390.15	5.61	-43.68
O=C(C1=CC(OC2=CC=CC=C2Cl)=CC=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197684	0	40	-1.0	-45.70	356.20	6.20	-39.50
O=C(C1=CC(OC2=CC=CC=C2Cl)=CC=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197684	1	40	-1.0	-45.73	356.13	6.19	-39.54
CC(C)CC(CCC1=CC=CC=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197685	0	51	-1.0	-44.79	397.75	8.62	-36.17
CC(C)CC(CCC1=CC=CC=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197685	1	51	-1.0	-44.80	397.83	8.63	-36.17
CCC1=NC2=CC(F)=CC=C2C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197686	0	41	-1.0	-41.83	340.93	5.50	-36.33
CCC1=NC2=CC(F)=CC=C2C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197686	1	41	-1.0	-41.85	341.00	5.50	-36.35
CC1=NN=NN1C1=CC(F)=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020197687	0	38	-1.0	-49.16	323.81	3.65	-45.51
CC1=NN=NN1C1=CC(F)=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020197687	1	38	-1.0	-49.22	323.88	3.65	-45.57
CC1(C)CCC(=O)C2=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=CC=C21	REAL300020197688	0	45	-1.0	-45.23	348.54	5.98	-39.25
CC1(C)CCC(=O)C2=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=CC=C21	REAL300020197688	1	45	-1.0	-45.22	348.62	5.99	-39.23
O=C(C1=CC2=CN=CC(Br)=C2S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197689	0	32	-1.0	-40.19	305.01	4.00	-36.19
O=C(C1=CC2=CN=CC(Br)=C2S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197689	1	32	-1.0	-40.14	304.94	3.98	-36.16
O=C(C1CCC(=O)N(C2CC2)C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197690	0	41	-1.0	-44.26	326.30	3.63	-40.63
O=C(C1CCC(=O)N(C2CC2)C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197690	1	41	-1.0	-44.26	326.37	3.64	-40.62
O=C(CC1=CC=C(N2CCOCC2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197691	0	46	-1.0	-45.88	364.74	3.60	-42.28
O=C(CC1=CC=C(N2CCOCC2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197691	1	46	-1.0	-45.90	364.82	3.61	-42.29
O=C([C@@H]1C[C@H]1C1=CC=C2OCCOC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197692	0	43	-1.0	-47.27	352.45	5.24	-42.03
O=C([C@@H]1C[C@H]1C1=CC=C2OCCOC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197692	1	43	-1.0	-47.26	352.53	5.25	-42.01
O=C([C@@H]1C[C@H]1C1=C(F)C=CC=C1Br)N1CCC(C2=N[N-]N=N2)C1	REAL300020197693	0	37	-1.0	-44.12	328.76	6.55	-37.57
O=C([C@@H]1C[C@H]1C1=C(F)C=CC=C1Br)N1CCC(C2=NN=N[N-]2)C1	REAL300020197693	1	37	-1.0	-44.14	328.84	6.55	-37.59
CC(C)(C)OC(=O)NCC1(C(=O)N2CCC(C3=N[N-]N=N3)C2)CC2CCC1C2	REAL300020197694	0	57	-1.0	-44.74	415.03	4.48	-40.26
CC(C)(C)OC(=O)NCC1(C(=O)N2CCC(C3=NN=N[N-]3)C2)CC2CCC1C2	REAL300020197694	1	57	-1.0	-44.78	415.10	4.49	-40.29
N#CC1=CN=C(Cl)C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197695	0	30	-1.0	-44.21	285.09	2.66	-41.55
N#CC1=CN=C(Cl)C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197695	1	30	-1.0	-44.23	285.02	2.65	-41.58
O=C(C1CCC(=O)N(CC(F)(F)F)C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197696	0	40	-1.0	-44.40	334.72	3.45	-40.95
O=C(C1CCC(=O)N(CC(F)(F)F)C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197696	1	40	-1.0	-44.41	334.79	3.47	-40.94
CCC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1Cl	REAL300020197697	0	36	-1.0	-41.24	305.49	5.36	-35.88
CCC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020197697	1	36	-1.0	-41.23	305.56	5.37	-35.86
CC1=CN=C(N2CCOCC2)N=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197698	0	44	-1.0	-41.09	348.63	3.54	-37.55
CC1=CN=C(N2CCOCC2)N=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197698	1	44	-1.0	-41.07	348.56	3.53	-37.54
O=C(C1=NSC2=CC(Br)=CC=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020197699	0	32	-1.0	-39.73	304.77	4.87	-34.86
O=C(C1=NSC2=CC(Br)=CC=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020197699	1	32	-1.0	-39.72	304.70	4.87	-34.85
O=C(C1=CC(Br)=C2OC=CC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197700	0	33	-1.0	-44.59	298.59	4.51	-40.08
O=C(C1=CC(Br)=C2OC=CC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197700	1	33	-1.0	-44.60	298.67	4.53	-40.07
O=C(C1=C(Cl)C2=NC=CC=C2S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197701	0	32	-1.0	-46.77	297.46	3.80	-42.97
O=C(C1=C(Cl)C2=NC=CC=C2S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197701	1	32	-1.0	-46.74	297.39	3.78	-42.96
N#CC1=CC=C(CCC(=O)N2CCC(C3=N[N-]N=N3)C2)C(F)=C1	REAL300020197702	0	37	-1.0	-45.45	328.43	5.98	-39.47
N#CC1=CC=C(CCC(=O)N2CCC(C3=NN=N[N-]3)C2)C(F)=C1	REAL300020197702	1	37	-1.0	-45.46	328.50	5.99	-39.47
O=C(C1=C(F)C=C2OCC(=O)NC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197703	0	36	-1.0	-46.15	310.52	1.02	-45.13
O=C(C1=C(F)C=C2OCC(=O)NC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197703	1	36	-1.0	-46.18	310.60	1.02	-45.16
CCC1=CC=C([N+](=O)[O-])C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197704	0	38	-1.0	-43.41	319.96	5.67	-37.74
CCC1=CC=C([N+](=O)[O-])C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197704	1	38	-1.0	-43.40	320.03	5.69	-37.71
O=C(C1CCC1C1=CC=CC=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020197705	0	40	-1.0	-47.04	338.12	6.94	-40.10
O=C(C1CCC1C1=CC=CC=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020197705	1	40	-1.0	-47.07	338.19	6.95	-40.12
COCCN1C=CC2=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=CC=C21	REAL300020197706	0	44	-1.0	-46.20	359.31	5.27	-40.93
COCCN1C=CC2=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=CC=C21	REAL300020197706	1	44	-1.0	-46.20	359.38	5.28	-40.92
CC(C)N1C=CC2=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=CC=C21	REAL300020197707	0	43	-1.0	-45.71	343.66	6.67	-39.04
CC(C)N1C=CC2=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=CC=C21	REAL300020197707	1	43	-1.0	-45.73	343.74	6.69	-39.04
O=C(C=CC1=CC=C2OCOC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197708	0	37	-1.0	-46.27	315.93	3.92	-42.35
O=C(C=CC1=CC=C2OCOC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197708	1	37	-1.0	-46.30	316.00	3.92	-42.38
CN1C2=CC(Cl)=C(Cl)C=C2C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1Cl	REAL300020197709	0	37	-1.0	-43.72	361.77	7.02	-36.70
CN1C2=CC(Cl)=C(Cl)C=C2C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1Cl	REAL300020197709	1	37	-1.0	-43.72	361.84	7.03	-36.69
O=C(C1=CC2=C(Br)C=NC=C2C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197710	0	35	-1.0	-42.64	309.87	4.57	-38.07
O=C(C1=CC2=C(Br)C=NC=C2C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197710	1	35	-1.0	-42.63	309.79	4.55	-38.08
C=CCOCC(C(=O)N1CCC(C2=N[N-]N=N2)C1)C(C)(C)C	REAL300020197711	0	46	-1.0	-40.13	351.48	4.72	-35.41
C=CCOCC(C(=O)N1CCC(C2=NN=N[N-]2)C1)C(C)(C)C	REAL300020197711	1	46	-1.0	-40.13	351.55	4.73	-35.40
CC12CCCN1S(=O)(=O)C(C(=O)N1CCC(C3=N[N-]N=N3)C1)C2	REAL300020197712	0	42	-1.0	-51.90	327.61	1.16	-50.74
CC12CCCN1S(=O)(=O)C(C(=O)N1CCC(C3=NN=N[N-]3)C1)C2	REAL300020197712	1	42	-1.0	-51.91	327.69	1.17	-50.74
CC1=NN(C2CCC2)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020197713	0	40	-1.0	-41.98	317.73	4.31	-37.67
CC1=NN(C2CCC2)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020197713	1	40	-1.0	-41.99	317.80	4.32	-37.67
O=C(C1=CC=NN1CCC(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020197714	0	36	-1.0	-41.63	311.49	3.44	-38.19
O=C(C1=CC=NN1CCC(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020197714	1	36	-1.0	-41.62	311.42	3.42	-38.20
COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197715	0	41	-1.0	-45.29	351.92	6.00	-39.29
COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197715	1	41	-1.0	-45.29	352.00	6.00	-39.29
CN1N=CC(Cl)=C1C1=NOC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020197716	0	36	-1.0	-40.41	327.42	2.94	-37.47
CN1N=CC(Cl)=C1C1=NOC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020197716	1	36	-1.0	-40.46	327.49	2.96	-37.50
O=C(C=CC1=CC=C(Cl)C=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020197717	0	34	-1.0	-45.34	312.12	5.80	-39.54
O=C(C=CC1=CC=C(Cl)C=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020197717	1	34	-1.0	-45.36	312.19	5.81	-39.55
CC(=O)NC(COC(C)C)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197718	0	43	-1.0	-49.24	344.64	1.93	-47.31
CC(=O)NC(COC(C)C)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197718	1	43	-1.0	-49.27	344.72	1.94	-47.33
CCCCOC1=CC=C(C=CC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020197719	0	47	-1.0	-44.08	384.15	7.04	-37.04
CCCCOC1=CC=C(C=CC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020197719	1	47	-1.0	-44.06	384.23	7.05	-37.01
COC1=CC2=CC=C(CC(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2C=C1	REAL300020197720	0	43	-1.0	-47.35	356.19	6.31	-41.04
COC1=CC2=CC=C(CC(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2C=C1	REAL300020197720	1	43	-1.0	-47.34	356.27	6.33	-41.01
CC(C)CC(CC1=CC=CC=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197721	0	48	-1.0	-43.25	369.86	7.82	-35.43
CC(C)CC(CC1=CC=CC=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197721	1	48	-1.0	-43.27	369.93	7.83	-35.44
COC1=CC=C(Br)C(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1C	REAL300020197722	0	37	-1.0	-44.07	327.49	4.35	-39.72
COC1=CC=C(Br)C(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1C	REAL300020197722	1	37	-1.0	-44.04	327.56	4.36	-39.68
O=C(C1=C(Cl)C=C(Cl)C=C1Br)N1CCC(C2=N[N-]N=N2)C1	REAL300020197723	0	30	-1.0	-40.20	312.37	5.36	-34.84
O=C(C1=C(Cl)C=C(Cl)C=C1Br)N1CCC(C2=NN=N[N-]2)C1	REAL300020197723	1	30	-1.0	-40.22	312.44	5.38	-34.84
COC1=NC=C(Cl)C(C)=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197724	0	36	-1.0	-42.81	320.60	1.65	-41.16
COC1=NC=C(Cl)C(C)=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197724	1	36	-1.0	-42.84	320.67	1.67	-41.17
CCCCC(C(=O)N1CCC(C2=N[N-]N=N2)C1)(C1=CC=CC=C1)C1=CC=CC=C1	REAL300020197725	0	55	-1.0	-43.19	410.43	9.62	-33.57
CCCCC(C(=O)N1CCC(C2=NN=N[N-]2)C1)(C1=CC=CC=C1)C1=CC=CC=C1	REAL300020197725	1	55	-1.0	-43.20	410.50	9.64	-33.56
COC1=CC=C(OC)C([N+](=O)[O-])=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197726	0	40	-1.0	-56.54	348.41	3.37	-53.17
COC1=CC=C(OC)C([N+](=O)[O-])=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197726	1	40	-1.0	-56.61	348.48	3.38	-53.23
O=C(C1=CC(F)=C(Br)C(F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197727	0	30	-1.0	-38.26	286.66	4.43	-33.83
O=C(C1=CC(F)=C(Br)C(F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197727	1	30	-1.0	-38.29	286.73	4.43	-33.86
O=C([C@@H]1C[C@H]1C1=CC=NC=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020197728	0	36	-1.0	-46.76	317.70	4.73	-42.03
O=C([C@@H]1C[C@H]1C1=CC=NC=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020197728	1	36	-1.0	-46.76	317.77	4.73	-42.03
CC(C)(C)OC(=O)N[C@@H]1CCC=CCC[C@@H]1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197729	0	57	-1.0	-46.92	415.61	6.35	-40.57
CC(C)(C)OC(=O)N[C@@H]1CCC=CCC[C@@H]1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197729	1	57	-1.0	-46.90	415.68	6.37	-40.53
O=C(C1=NC=C(F)C2=CC=CC=C21)N1CCC(C2=NN=N[N-]2)C1	REAL300020197730	0	35	-1.0	-40.76	296.45	5.06	-35.70
O=C(C1=NC=C(F)C2=CC=CC=C21)N1CCC(C2=N[N-]N=N2)C1	REAL300020197730	1	35	-1.0	-40.75	296.37	5.04	-35.71
COC(=O)C1=CC=C(C=CC(=O)N2CCC(C3=N[N-]N=N3)C2)C=N1	REAL300020197731	0	39	-1.0	-46.70	340.50	4.09	-42.61
COC(=O)C1=CC=C(C=CC(=O)N2CCC(C3=NN=N[N-]3)C2)C=N1	REAL300020197731	1	39	-1.0	-46.69	340.57	4.09	-42.60
CC1=CC(C(F)(F)F)=CC=C1CC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197732	0	39	-1.0	-44.31	336.26	6.25	-38.06
CC1=CC(C(F)(F)F)=CC=C1CC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197732	1	39	-1.0	-44.36	336.34	6.27	-38.09
CC(CC(=O)N1CCC(C2=N[N-]N=N2)C1)C1=CC=C(F)C(F)=C1	REAL300020197733	0	39	-1.0	-43.17	328.27	6.11	-37.06
CC(CC(=O)N1CCC(C2=NN=N[N-]2)C1)C1=CC=C(F)C(F)=C1	REAL300020197733	1	39	-1.0	-43.20	328.35	6.12	-37.08
CC(C)(C)N1C=C(CC(=O)N2CCC(C3=NN=N[N-]3)C2)C=N1	REAL300020197734	0	42	-1.0	-48.19	343.58	4.59	-43.60
CC(C)(C)N1C=C(CC(=O)N2CCC(C3=N[N-]N=N3)C2)C=N1	REAL300020197734	1	42	-1.0	-48.17	343.50	4.58	-43.59
O=C(C1=CC(C2=NNC=C2)=CC=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020197735	0	37	-1.0	-50.16	318.87	3.80	-46.36
O=C(C1=CC(C2=NNC=C2)=CC=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020197735	1	37	-1.0	-50.16	318.95	3.80	-46.36
CC1=CC=C(C2(C(=O)N3CCC(C4=N[N-]N=N4)C3)CC2)C(F)=C1	REAL300020197736	0	40	-1.0	-47.99	333.65	6.42	-41.57
CC1=CC=C(C2(C(=O)N3CCC(C4=NN=N[N-]4)C3)CC2)C(F)=C1	REAL300020197736	1	40	-1.0	-47.95	333.72	6.43	-41.52
O=C(C1=CC(Cl)=C(F)C=C1[O-])N1CCC(C2=N[N-]N=N2)C1	REAL300020197737	0	30	-2.0	-89.14	283.15	3.22	-85.92
O=C(C1=CC(Cl)=C(F)C=C1[O-])N1CCC(C2=NN=N[N-]2)C1	REAL300020197737	1	30	-2.0	-89.12	283.23	3.22	-85.90
CCCC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)N=NN1CC	REAL300020197738	0	41	-1.0	-43.29	335.38	3.40	-39.89
CCCC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)N=NN1CC	REAL300020197738	1	41	-1.0	-43.32	335.46	3.42	-39.90
CCC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)SC(C2=NNC=N2)=N1	REAL300020197739	0	38	-1.0	-47.09	332.61	3.10	-43.99
CCC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)SC(C2=NNC=N2)=N1	REAL300020197739	1	38	-1.0	-47.12	332.68	3.11	-44.01
C=CCN(C)C1=CC=C(S(N)(=O)=O)C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197740	0	47	-1.0	-49.19	394.92	0.12	-49.07
C=CCN(C)C1=CC=C(S(N)(=O)=O)C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197740	1	47	-1.0	-49.26	395.00	0.12	-49.14
O=C(COC1=CC=CC=C1)NC1=CC=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197741	0	48	-1.0	-46.43	398.51	6.45	-39.98
O=C(COC1=CC=CC=C1)NC1=CC=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197741	1	48	-1.0	-46.39	398.58	6.46	-39.93
O=C(NC1=CC=CC=C1C(=O)N1CCC(C2=N[N-]N=N2)C1)N1CCCCC1	REAL300020197742	0	49	-1.0	-44.61	380.75	5.83	-38.78
O=C(NC1=CC=CC=C1C(=O)N1CCC(C2=NN=N[N-]2)C1)N1CCCCC1	REAL300020197742	1	49	-1.0	-44.66	380.82	5.83	-38.83
O=C(C1=CC(=O)NC(C2=CC=C(Cl)C=C2)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197743	0	39	-1.0	-44.83	345.53	4.78	-40.05
O=C(C1=CC(=O)NC(C2=CC=C(Cl)C=C2)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197743	1	39	-1.0	-44.84	345.46	4.78	-40.06
O=C(C1=C2NC=NC2=CC(Br)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197744	0	33	-1.0	-41.99	301.57	3.97	-38.02
O=C(C1=C2NC=NC2=CC(Br)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197744	1	33	-1.0	-42.03	301.64	3.97	-38.06
O=C(C1=CC=C2NC(C3CC3)=NC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197745	0	40	-1.0	-45.96	327.68	4.61	-41.35
O=C(C1=CC=C2NC(C3CC3)=NC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197745	1	40	-1.0	-46.00	327.75	4.61	-41.39
CN(CC1=CC=CO1)C(=O)NCC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197746	0	42	-1.0	-46.66	354.02	2.46	-44.20
CN(CC1=CC=CO1)C(=O)NCC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197746	1	42	-1.0	-46.69	354.10	2.47	-44.22
O=C(C1=CC=C2NC(C3=CC=C(F)C=C3)=NC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197747	0	43	-1.0	-46.20	361.67	6.18	-40.02
O=C(C1=CC=C2NC(C3=CC=C(F)C=C3)=NC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197747	1	43	-1.0	-46.25	361.75	6.19	-40.06
CC(C)(C)OC(=O)N1CCC2=C(C1)NN=C2C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197748	0	51	-1.0	-47.73	400.07	3.75	-43.98
CC(C)(C)OC(=O)N1CCC2=C(C1)NN=C2C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197748	1	51	-1.0	-47.72	400.14	3.75	-43.97
CC1=NNC2=C1CC(C(=O)N1CCC(C3=N[N-]N=N3)C1)CC2	REAL300020197749	0	40	-1.0	-38.42	320.15	3.22	-35.20
CC1=NNC2=C1CC(C(=O)N1CCC(C3=NN=N[N-]3)C1)CC2	REAL300020197749	1	40	-1.0	-38.44	320.22	3.23	-35.21
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CC(C)(OC1=C(F)C=CC=C1F)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197753	1	40	-1.0	-50.50	321.64	5.30	-45.20
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CC(C)(C)OC(=O)[C@@H]1CCC[C@H](C(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020197763	0	51	-1.0	-48.36	391.48	6.83	-41.53
CC(C)(C)OC(=O)[C@@H]1CCC[C@H](C(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020197763	1	51	-1.0	-48.36	391.55	6.84	-41.52
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O=C(C1=C2C=NSC2=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197769	1	32	-1.0	-44.73	283.94	3.79	-40.94
CS(=O)(=O)C1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(Cl)=C1	REAL300020197770	0	36	-1.0	-49.46	329.04	1.76	-47.70
CS(=O)(=O)C1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(Cl)=C1	REAL300020197770	1	36	-1.0	-49.42	329.12	1.76	-47.66
O=C(C1=CC=C(C(F)(F)F)C=C1C(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020197771	0	36	-1.0	-42.87	326.82	5.68	-37.19
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NC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C(F)C(Br)=C1F	REAL300020197772	0	32	-1.0	-37.61	297.76	2.52	-35.09
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C[C@@H]1C[C@H]2[C@H](C[C@H](C(=O)N3CCC(C4=N[N-]N=N4)C3)N2C(=O)OC(C)(C)C)O1	REAL300020197773	0	55	-1.0	-50.70	421.52	5.20	-45.50
C[C@@H]1C[C@H]2[C@H](C[C@H](C(=O)N3CCC(C4=NN=N[N-]4)C3)N2C(=O)OC(C)(C)C)O1	REAL300020197773	1	55	-1.0	-50.73	421.60	5.22	-45.51
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CC(C)(C)OC(=O)N1CC2(C1)CC(=O)NC2C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197777	0	52	-1.0	-51.69	406.55	1.75	-49.94
CC(C)(C)OC(=O)N1CC2(C1)CC(=O)NC2C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197777	1	52	-1.0	-51.72	406.62	1.76	-49.96
CN(C)C1=CC2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2C=C1	REAL300020197778	0	44	-1.0	-44.85	350.80	6.32	-38.53
CN(C)C1=CC2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2C=C1	REAL300020197778	1	44	-1.0	-44.83	350.88	6.33	-38.50
COC1(CC(=O)N2CCC(C3=N[N-]N=N3)C2)CN(C(=O)OC(C)(C)C)C1	REAL300020197779	0	51	-1.0	-54.02	401.44	2.86	-51.16
COC1(CC(=O)N2CCC(C3=NN=N[N-]3)C2)CN(C(=O)OC(C)(C)C)C1	REAL300020197779	1	51	-1.0	-54.04	401.51	2.86	-51.18
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(CC2=NNN=C2)CCCC1	REAL300020197780	0	42	-1.0	-49.18	323.96	2.49	-46.69
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(CC2=NNN=C2)CCCC1	REAL300020197780	1	42	-1.0	-49.17	324.03	2.50	-46.67
CC(C)(C)C1=NN(C(C)(C)C)C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197781	0	51	-1.0	-43.71	384.00	5.79	-37.92
CC(C)(C)C1=NN(C(C)(C)C)C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197781	1	51	-1.0	-43.68	383.92	5.78	-37.90
C#CC1=CC=C(C2CC2C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020197782	0	39	-1.0	-44.76	335.22	7.28	-37.48
C#CC1=CC=C(C2CC2C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020197782	1	39	-1.0	-44.81	335.29	7.28	-37.53
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C2=CC=CC=C2C=N1	REAL300020197783	0	38	-1.0	-45.83	319.90	4.87	-40.96
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C2=CC=CC=C2C=N1	REAL300020197783	1	38	-1.0	-45.82	319.97	4.88	-40.94
CN1N=CC2=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=C(C3CC3)N=C21	REAL300020197784	0	42	-1.0	-43.08	347.87	4.85	-38.23
CN1N=CC2=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=C(C3CC3)N=C21	REAL300020197784	1	42	-1.0	-43.07	347.94	4.86	-38.21
CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCC(C3=N[N-]N=N3)C2)C[C@@H]2CC[C@@H](C2)C1	REAL300020197785	0	57	-1.0	-47.40	398.31	6.67	-40.73
CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCC(C3=NN=N[N-]3)C2)C[C@@H]2CC[C@@H](C2)C1	REAL300020197785	1	57	-1.0	-47.40	398.38	6.68	-40.72
O=C(N1CCC(C2=N[N-]N=N2)C1)C12CCC(C(F)(F)F)(CC1)C2	REAL300020197786	0	40	-1.0	-43.36	320.25	5.09	-38.27
O=C(N1CCC(C2=NN=N[N-]2)C1)C12CCC(C(F)(F)F)(CC1)C2	REAL300020197786	1	40	-1.0	-43.37	320.32	5.11	-38.26
CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197787	0	50	-1.0	-51.69	388.10	3.26	-48.43
CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197787	1	50	-1.0	-51.68	388.17	3.28	-48.40
COC1=CC=C(C=CC(=O)N2CCC(C3=N[N-]N=N3)C2)C(OC)=C1OC	REAL300020197788	0	46	-1.0	-48.88	383.74	4.53	-44.35
COC1=CC=C(C=CC(=O)N2CCC(C3=NN=N[N-]3)C2)C(OC)=C1OC	REAL300020197788	1	46	-1.0	-48.87	383.81	4.54	-44.33
CC(C)(C)OC(=O)N1C=COCC1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197789	0	46	-1.0	-48.52	364.97	3.45	-45.07
CC(C)(C)OC(=O)N1C=COCC1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197789	1	46	-1.0	-48.55	365.05	3.47	-45.08
CC(C)(C)OC(=O)NCC1(C(=O)N2CCC(C3=N[N-]N=N3)C2)CC(C)(C)C1	REAL300020197790	0	56	-1.0	-43.85	418.38	3.96	-39.89
CC(C)(C)OC(=O)NCC1(C(=O)N2CCC(C3=NN=N[N-]3)C2)CC(C)(C)C1	REAL300020197790	1	56	-1.0	-43.85	418.45	3.99	-39.86
CC(C)(C)OC(=O)N1CCC(C(=O)N2CCC(C3=N[N-]N=N3)C2)(C2CC2)C1	REAL300020197791	0	54	-1.0	-49.58	402.34	6.17	-43.41
CC(C)(C)OC(=O)N1CCC(C(=O)N2CCC(C3=NN=N[N-]3)C2)(C2CC2)C1	REAL300020197791	1	54	-1.0	-49.60	402.42	6.19	-43.41
O=C(C1=C2C(=O)NCCN2N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197792	0	35	-1.0	-55.69	289.02	0.41	-55.28
O=C(C1=C2C(=O)NCCN2N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197792	1	35	-1.0	-55.69	288.94	0.39	-55.30
CC=CC1=CC=C(OCC(=O)N2CCC(C3=N[N-]N=N3)C2)C(OC)=C1	REAL300020197793	0	45	-1.0	-50.65	371.66	6.42	-44.23
CC=CC1=CC=C(OCC(=O)N2CCC(C3=NN=N[N-]3)C2)C(OC)=C1	REAL300020197793	1	45	-1.0	-50.72	371.74	6.42	-44.30
CC(C)(C)OC(=O)NC1=CC=C(C2(C(=O)N3CCC(C4=N[N-]N=N4)C3)CC2)C=C1	REAL300020197794	0	54	-1.0	-53.22	426.87	5.88	-47.34
CC(C)(C)OC(=O)NC1=CC=C(C2(C(=O)N3CCC(C4=NN=N[N-]4)C3)CC2)C=C1	REAL300020197794	1	54	-1.0	-53.25	426.94	5.91	-47.34
CC(C)(C)OC(=O)NC1CCOC(CC(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020197795	0	54	-1.0	-48.79	416.65	3.92	-44.87
CC(C)(C)OC(=O)NC1CCOC(CC(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020197795	1	54	-1.0	-48.79	416.72	3.94	-44.85
CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197796	0	54	-1.0	-45.57	397.84	5.23	-40.34
CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197796	1	54	-1.0	-45.61	397.91	5.25	-40.36
O=C(C1=CC2=C(CCOC2)N=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020197797	0	37	-1.0	-44.24	317.31	2.41	-41.83
O=C(C1=CC2=C(CCOC2)N=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020197797	1	37	-1.0	-44.24	317.38	2.41	-41.83
O=C(C1CCC(OC2=CC=CC=C2)CC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197798	0	47	-1.0	-39.62	356.95	6.27	-33.35
O=C(C1CCC(OC2=CC=CC=C2)CC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197798	1	47	-1.0	-39.63	357.03	6.28	-33.35
CC1=NN=C(CC2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2)O1	REAL300020197799	0	41	-1.0	-49.46	344.95	0.94	-48.52
CC1=NN=C(CC2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2)O1	REAL300020197799	1	41	-1.0	-49.46	345.03	0.96	-48.50
CC(C)(C)OC(=O)N1CCC2(CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)C2)CC1	REAL300020197800	0	57	-1.0	-46.08	429.88	6.65	-39.43
CC(C)(C)OC(=O)N1CCC2(CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)C2)CC1	REAL300020197800	1	57	-1.0	-46.05	429.96	6.66	-39.39
O=C(C1=CC2=C(Br)C=CC=C2C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197801	0	36	-1.0	-43.52	314.41	6.31	-37.21
O=C(C1=CC2=C(Br)C=CC=C2C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197801	1	36	-1.0	-43.52	314.49	6.31	-37.21
O=C(C1=CN2C(=NN=C2C2=CC=CC=C2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197802	0	42	-1.0	-44.58	356.95	7.70	-36.88
O=C(C1=CN2C(=NN=C2C2=CC=CC=C2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197802	1	42	-1.0	-44.62	357.03	7.71	-36.91
CC1=CC2=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=CN=C2C(F)=C1	REAL300020197803	0	38	-1.0	-47.03	319.02	4.70	-42.33
CC1=CC2=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=CN=C2C(F)=C1	REAL300020197803	1	38	-1.0	-47.03	318.95	4.69	-42.34
CC(C)(C)OC1=CC(Br)=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020197804	0	43	-1.0	-42.25	351.85	5.34	-36.91
CC(C)(C)OC1=CC(Br)=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020197804	1	43	-1.0	-42.28	351.92	5.34	-36.94
CN1C=C(C2=NC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=CO2)C=N1	REAL300020197805	0	36	-1.0	-45.72	316.88	0.83	-44.89
CN1C=C(C2=NC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=CO2)C=N1	REAL300020197805	1	36	-1.0	-45.74	316.80	0.81	-44.93
COC1=C2C=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)NC2=C(C)C=C1	REAL300020197806	0	41	-1.0	-44.90	335.05	4.05	-40.85
COC1=C2C=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)NC2=C(C)C=C1	REAL300020197806	1	41	-1.0	-44.91	335.12	4.06	-40.85
CCCCOC1=CC=C(CC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1	REAL300020197807	0	46	-1.0	-45.26	375.08	6.58	-38.68
CCCCOC1=CC=C(CC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1	REAL300020197807	1	46	-1.0	-45.29	375.15	6.59	-38.70
CC(C)(C)S(=O)(=O)CC1=CC=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020197808	0	47	-1.0	-52.91	390.16	2.83	-50.08
CC(C)(C)S(=O)(=O)CC1=CC=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020197808	1	47	-1.0	-52.93	390.23	2.84	-50.09
COC1=NC2=CC=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2C=C1	REAL300020197809	0	39	-1.0	-45.99	323.39	2.43	-43.56
COC1=NC2=CC=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2C=C1	REAL300020197809	1	39	-1.0	-45.98	323.31	2.42	-43.56
CC1=CN2C(C(=O)N3CCC(C4=NN=N[N-]4)C3)=CN=C2S1	REAL300020197810	0	33	-1.0	-45.55	289.53	4.00	-41.55
CC1=CN2C(C(=O)N3CCC(C4=N[N-]N=N4)C3)=CN=C2S1	REAL300020197810	1	33	-1.0	-45.55	289.46	4.00	-41.55
O=C(C1=NOC(COC2=CC=C(F)C=C2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197811	0	40	-1.0	-43.37	350.07	4.95	-38.42
O=C(C1=NOC(COC2=CC=C(F)C=C2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197811	1	40	-1.0	-43.36	350.14	4.97	-38.39
O=C(C1=CC(Cl)=C(Cl)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197812	0	27	-1.0	-38.85	275.39	3.82	-35.03
O=C(C1=CC(Cl)=C(Cl)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197812	1	27	-1.0	-38.86	275.46	3.83	-35.03
CC(C)(C)C1=CC=NC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020197813	0	41	-1.0	-43.38	326.54	5.09	-38.29
CC(C)(C)C1=CC=NC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020197813	1	41	-1.0	-43.40	326.47	5.07	-38.33
COC1CC2(C1)CCC(C(=O)N1CCC(C3=N[N-]N=N3)C1)CC2	REAL300020197814	0	47	-1.0	-37.01	358.49	4.78	-32.23
COC1CC2(C1)CCC(C(=O)N1CCC(C3=NN=N[N-]3)C1)CC2	REAL300020197814	1	47	-1.0	-37.02	358.56	4.79	-32.23
CCCC(CCC1=CC=CC=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197815	0	48	-1.0	-44.75	380.77	8.12	-36.63
CCCC(CCC1=CC=CC=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197815	1	48	-1.0	-44.73	380.84	8.14	-36.59
CCC(C)(C)C1CCC(C(=O)N2CCC(C3=N[N-]N=N3)C2)CC1	REAL300020197816	0	51	-1.0	-35.53	364.06	6.63	-28.90
CCC(C)(C)C1CCC(C(=O)N2CCC(C3=NN=N[N-]3)C2)CC1	REAL300020197816	1	51	-1.0	-35.51	364.14	6.65	-28.86
CC1=CC2=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=CN=C2C=C1	REAL300020197817	0	38	-1.0	-44.84	312.62	4.60	-40.24
CC1=CC2=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=CN=C2C=C1	REAL300020197817	1	38	-1.0	-44.85	312.55	4.59	-40.26
CN1C=C(C2=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=NO2)N=N1	REAL300020197818	0	35	-1.0	-47.47	310.67	1.81	-45.66
CN1C=C(C2=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=NO2)N=N1	REAL300020197818	1	35	-1.0	-47.51	310.74	1.81	-45.70
O=C(C1CCC2(CC(=O)C2)CC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197819	0	42	-1.0	-39.77	328.53	4.93	-34.84
O=C(C1CCC2(CC(=O)C2)CC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197819	1	42	-1.0	-39.77	328.60	4.94	-34.83
O=C(C1=CC=C2OCCC(=O)C2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197820	0	37	-1.0	-44.99	306.01	3.30	-41.69
O=C(C1=CC=C2OCCC(=O)C2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197820	1	37	-1.0	-44.99	306.09	3.32	-41.67
CCC(CCC1=CC=CC=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197821	0	45	-1.0	-44.65	359.27	7.35	-37.30
CCC(CCC1=CC=CC=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197821	1	45	-1.0	-44.66	359.34	7.36	-37.30
COC1(C(F)(F)C(=O)N2CCC(C3=N[N-]N=N3)C2)CCCC1	REAL300020197822	0	40	-1.0	-39.92	311.53	4.07	-35.85
COC1(C(F)(F)C(=O)N2CCC(C3=NN=N[N-]3)C2)CCCC1	REAL300020197822	1	40	-1.0	-39.93	311.61	4.09	-35.84
O=C(CCC1=CC=C2CCOCC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197823	0	44	-1.0	-43.95	355.78	5.64	-38.31
O=C(CCC1=CC=C2CCOCC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197823	1	44	-1.0	-43.95	355.85	5.66	-38.29
O=C(C1CC12CCC(F)(F)CC2)N1CCC(C2=N[N-]N=N2)C1	REAL300020197824	0	40	-1.0	-44.55	321.69	5.65	-38.90
O=C(C1CC12CCC(F)(F)CC2)N1CCC(C2=NN=N[N-]2)C1	REAL300020197824	1	40	-1.0	-44.56	321.76	5.66	-38.90
CC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)N=C1Br	REAL300020197825	0	32	-1.0	-42.00	289.43	3.81	-38.19
CC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)N=C1Br	REAL300020197825	1	32	-1.0	-41.96	289.36	3.79	-38.17
CN(C)C1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1[N+](=O)[O-]	REAL300020197826	0	40	-1.0	-41.77	330.45	4.83	-36.94
CN(C)C1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1[N+](=O)[O-]	REAL300020197826	1	40	-1.0	-41.83	330.53	4.85	-36.98
O=C(C1=CC(Cl)=NC2=NC=CC=C12)N1CCC(C2=NN=N[N-]2)C1	REAL300020197827	0	34	-1.0	-42.66	304.02	3.58	-39.08
O=C(C1=CC(Cl)=NC2=NC=CC=C12)N1CCC(C2=N[N-]N=N2)C1	REAL300020197827	1	34	-1.0	-42.63	303.94	3.57	-39.06
COC(=O)C1=CSC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020197828	0	33	-1.0	-47.28	298.24	3.38	-43.90
COC(=O)C1=CSC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020197828	1	33	-1.0	-47.28	298.31	3.40	-43.88
CC(C)(C)C1=CN=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020197829	0	41	-1.0	-42.25	321.56	4.11	-38.14
CC(C)(C)C1=CN=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020197829	1	41	-1.0	-42.24	321.49	4.10	-38.14
O=C(C1=CC=C(OC2=CC=C(F)C=C2)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197830	0	38	-1.0	-41.62	339.82	5.86	-35.76
O=C(C1=CC=C(OC2=CC=C(F)C=C2)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197830	1	38	-1.0	-41.62	339.89	5.87	-35.75
N#CC1=CC=C(C2=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)N=CO2)C=C1	REAL300020197831	0	37	-1.0	-44.97	329.34	3.47	-41.50
N#CC1=CC=C(C2=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)N=CO2)C=C1	REAL300020197831	1	37	-1.0	-44.94	329.26	3.46	-41.48
CC(C)(C)OC(=O)N1CCC(C2CC2)C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197832	0	54	-1.0	-50.86	413.21	6.34	-44.52
CC(C)(C)OC(=O)N1CCC(C2CC2)C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197832	1	54	-1.0	-50.88	413.28	6.35	-44.53
CC1(C(=O)N2CCC(C3=N[N-]N=N3)C2)CC2=CC(Cl)=CC=C2C(=O)O1	REAL300020197833	0	40	-1.0	-40.71	342.02	5.88	-34.83
CC1(C(=O)N2CCC(C3=NN=N[N-]3)C2)CC2=CC(Cl)=CC=C2C(=O)O1	REAL300020197833	1	40	-1.0	-40.74	342.09	5.90	-34.84
CSC(C)C(NC(=O)OC(C)(C)C)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197834	0	50	-1.0	-40.21	393.15	3.40	-36.81
CSC(C)C(NC(=O)OC(C)(C)C)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197834	1	50	-1.0	-40.21	393.22	3.42	-36.79
CC(C)(C)C1=CC=NC2=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=NN21	REAL300020197835	0	44	-1.0	-53.32	348.16	5.07	-48.25
CC(C)(C)C1=CC=NC2=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=NN21	REAL300020197835	1	44	-1.0	-53.27	348.09	5.05	-48.22
O=C(N1CCC(C2=N[N-]N=N2)C1)C12CCCN1C(=O)CCCC2	REAL300020197836	0	44	-1.0	-51.58	325.43	3.71	-47.87
O=C(N1CCC(C2=NN=N[N-]2)C1)C12CCCN1C(=O)CCCC2	REAL300020197836	1	44	-1.0	-51.64	325.51	3.72	-47.92
O=C(N1CCC(C2=N[N-]N=N2)C1)C1(C2=CC=CC=C2)CC1C(F)(F)F	REAL300020197837	0	40	-1.0	-40.64	330.24	6.44	-34.20
O=C(N1CCC(C2=NN=N[N-]2)C1)C1(C2=CC=CC=C2)CC1C(F)(F)F	REAL300020197837	1	40	-1.0	-40.67	330.32	6.45	-34.22
C[C@H]1C2=CC=CC=C2O[C@H]1CC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197838	0	41	-1.0	-49.15	331.97	5.37	-43.78
C[C@H]1C2=CC=CC=C2O[C@H]1CC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197838	1	41	-1.0	-49.11	332.04	5.37	-43.74
O=C(CCC1=CC=CC(Br)=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020197839	0	36	-1.0	-44.16	328.29	6.23	-37.93
O=C(CCC1=CC=CC(Br)=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020197839	1	36	-1.0	-44.15	328.36	6.23	-37.92
CC(C)(C)OC(=O)NC(CC1=CSC=C1)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197840	0	50	-1.0	-41.27	399.92	3.72	-37.55
CC(C)(C)OC(=O)NC(CC1=CSC=C1)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197840	1	50	-1.0	-41.27	400.00	3.72	-37.55
CC(C)(C)[C@@H]1CCCC[C@@H]1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197841	0	48	-1.0	-41.34	329.67	6.17	-35.17
CC(C)(C)[C@@H]1CCCC[C@@H]1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197841	1	48	-1.0	-41.33	329.74	6.17	-35.16
CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(C(=O)N3CCC(C4=N[N-]N=N4)C3)C[C@@H]12	REAL300020197842	0	48	-1.0	-45.14	383.43	3.43	-41.71
CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(C(=O)N3CCC(C4=NN=N[N-]4)C3)C[C@@H]12	REAL300020197842	1	48	-1.0	-45.10	383.50	3.43	-41.67
CC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C(C(F)F)=NN1C	REAL300020197843	0	36	-1.0	-48.90	315.35	3.02	-45.88
CC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C(C(F)F)=NN1C	REAL300020197843	1	36	-1.0	-48.88	315.43	3.02	-45.86
COC(=O)[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197844	0	41	-1.0	-54.46	329.96	2.76	-51.70
COC(=O)[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197844	1	41	-1.0	-54.46	330.04	2.76	-51.70
CCC1=CC=C(C(=O)C(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020197845	0	35	-1.0	-38.86	308.54	4.50	-34.36
CCC1=CC=C(C(=O)C(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020197845	1	35	-1.0	-38.89	308.61	4.51	-34.38
COC1=CC(Br)=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1F	REAL300020197846	0	34	-1.0	-41.48	308.26	3.70	-37.78
COC1=CC(Br)=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1F	REAL300020197846	1	34	-1.0	-41.48	308.33	3.71	-37.77
CN1C=C(NC(=O)OC(C)(C)C)C=C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197847	0	48	-1.0	-43.76	376.56	3.30	-40.46
CN1C=C(NC(=O)OC(C)(C)C)C=C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197847	1	48	-1.0	-43.78	376.63	3.30	-40.48
CC(C)(C)OC(=O)N1CC2(CCC2)C1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197848	0	51	-1.0	-48.65	400.14	5.21	-43.44
CC(C)(C)OC(=O)N1CC2(CCC2)C1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197848	1	51	-1.0	-48.64	400.21	5.23	-43.41
CC(C)(C)OC(=O)N1CCC(C(=O)N2CCC(C3=N[N-]N=N3)C2)C12COC2	REAL300020197849	0	52	-1.0	-51.00	394.22	3.66	-47.34
CC(C)(C)OC(=O)N1CCC(C(=O)N2CCC(C3=NN=N[N-]3)C2)C12COC2	REAL300020197849	1	52	-1.0	-51.06	394.30	3.66	-47.40
O=C(C1=CC(C2CCCC2)=NN1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197850	0	40	-1.0	-40.56	317.14	3.61	-36.95
O=C(C1=CC(C2CCCC2)=NN1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197850	1	40	-1.0	-40.56	317.21	3.62	-36.94
CC1(C)OC2=CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)=CC=C2NC1=O	REAL300020197851	0	42	-1.0	-46.49	340.38	2.11	-44.38
CC1(C)OC2=CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)=CC=C2NC1=O	REAL300020197851	1	42	-1.0	-46.51	340.45	2.13	-44.38
O=C(C1=CC=CC2=C1CCC(=O)N2)N1CCC(C2=N[N-]N=N2)C1	REAL300020197852	0	38	-1.0	-45.91	310.53	2.80	-43.11
O=C(C1=CC=CC2=C1CCC(=O)N2)N1CCC(C2=NN=N[N-]2)C1	REAL300020197852	1	38	-1.0	-45.92	310.60	2.81	-43.11
CN1N=CC2=NC(C(F)F)=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=C21	REAL300020197853	0	38	-1.0	-43.00	327.37	2.62	-40.38
CN1N=CC2=NC(C(F)F)=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=C21	REAL300020197853	1	38	-1.0	-43.05	327.45	2.64	-40.41
COC(=O)C1=CC=CC2=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)C=CC=C12	REAL300020197854	0	42	-1.0	-44.17	347.18	6.43	-37.74
COC(=O)C1=CC=CC2=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)C=CC=C12	REAL300020197854	1	42	-1.0	-44.14	347.26	6.44	-37.70
O=C(C1=CN=CC2=C1CCNC2=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197855	0	37	-1.0	-42.27	305.74	0.26	-42.01
O=C(C1=CN=CC2=C1CCNC2=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197855	1	37	-1.0	-42.30	305.82	0.27	-42.03
CC1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=NC=C1C(F)F	REAL300020197856	0	35	-1.0	-42.41	298.20	4.12	-38.29
CC1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=NC=C1C(F)F	REAL300020197856	1	35	-1.0	-42.43	298.27	4.14	-38.29
O=C(C1=CC2=C(CCCNC2=O)S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197857	0	38	-1.0	-50.14	319.73	2.01	-48.13
O=C(C1=CC2=C(CCCNC2=O)S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197857	1	38	-1.0	-50.15	319.80	2.02	-48.13
CN(C)C(=O)C1=CN=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020197858	0	39	-1.0	-45.15	317.12	1.55	-43.60
CN(C)C(=O)C1=CN=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020197858	1	39	-1.0	-45.19	317.04	1.53	-43.66
O=C(C1=NC2=C(Cl)N=CC=C2C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197859	0	34	-1.0	-45.10	307.13	3.63	-41.47
O=C(C1=NC2=C(Cl)N=CC=C2C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197859	1	34	-1.0	-45.11	307.05	3.62	-41.49
CCOCC(NC(=O)OC(C)(C)C)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197860	0	50	-1.0	-38.37	398.83	1.66	-36.71
CCOCC(NC(=O)OC(C)(C)C)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197860	1	50	-1.0	-38.37	398.90	1.68	-36.69
CC(C)(C)OC(=O)N1CCCC2(CC(C(=O)N3CCC(C4=N[N-]N=N4)C3)C2)C1	REAL300020197861	0	57	-1.0	-45.50	419.83	6.26	-39.24
CC(C)(C)OC(=O)N1CCCC2(CC(C(=O)N3CCC(C4=NN=N[N-]4)C3)C2)C1	REAL300020197861	1	57	-1.0	-45.55	419.91	6.27	-39.28
CC(C)(C)OC(=O)N1CCC(C)(CC(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020197862	0	53	-1.0	-52.77	404.69	5.29	-47.48
CC(C)(C)OC(=O)N1CCC(C)(CC(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020197862	1	53	-1.0	-52.81	404.76	5.29	-47.52
CC(C)(C)OC(=O)N1CCCC(C2CC2C(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020197863	0	57	-1.0	-48.03	425.26	6.77	-41.26
CC(C)(C)OC(=O)N1CCCC(C2CC2C(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020197863	1	57	-1.0	-47.98	425.34	6.79	-41.19
CC(C)(C)OC(=O)NC1CC(C)(C(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020197864	0	50	-1.0	-44.56	380.95	3.47	-41.09
CC(C)(C)OC(=O)NC1CC(C)(C(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020197864	1	50	-1.0	-44.54	381.03	3.48	-41.06
CC(C)(C)OC(=O)NC1CC2(C[C@@H]2C(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020197865	0	51	-1.0	-44.90	403.76	4.27	-40.63
CC(C)(C)OC(=O)NC1CC2(C[C@@H]2C(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020197865	1	51	-1.0	-44.91	403.84	4.28	-40.63
COC1=CC=CC=C1OC(C)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197866	0	41	-1.0	-50.48	332.64	4.85	-45.63
COC1=CC=CC=C1OC(C)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197866	1	41	-1.0	-50.51	332.72	4.86	-45.65
CC(C)(C)OC(=O)N1CCC(C(=O)N2CCC(C3=N[N-]N=N3)C2)C12CCC2	REAL300020197867	0	54	-1.0	-45.19	399.94	5.04	-40.15
CC(C)(C)OC(=O)N1CCC(C(=O)N2CCC(C3=NN=N[N-]3)C2)C12CCC2	REAL300020197867	1	54	-1.0	-45.15	400.01	5.05	-40.10
C[C@@H](ONC(=O)OC(C)(C)C)C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197868	0	44	-1.0	-52.42	355.21	2.75	-49.67
C[C@@H](ONC(=O)OC(C)(C)C)C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197868	1	44	-1.0	-52.41	355.29	2.77	-49.64
O=C(C1=C(F)C=C(Br)C=C1[N+](=O)[O-])N1CCC(C2=N[N-]N=N2)C1	REAL300020197869	0	32	-1.0	-46.34	312.19	5.54	-40.80
O=C(C1=C(F)C=C(Br)C=C1[N+](=O)[O-])N1CCC(C2=NN=N[N-]2)C1	REAL300020197869	1	32	-1.0	-46.31	312.26	5.55	-40.76
CC1=CC=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1S(=O)(=O)N(C)C	REAL300020197870	0	44	-1.0	-52.53	353.16	2.04	-50.49
CC1=CC=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1S(=O)(=O)N(C)C	REAL300020197870	1	44	-1.0	-52.55	353.24	2.06	-50.49
CCC1=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)N2C=C(C)SC2=N1	REAL300020197871	0	39	-1.0	-43.36	341.87	5.66	-37.70
CCC1=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)N2C=C(C)SC2=N1	REAL300020197871	1	39	-1.0	-43.35	341.95	5.67	-37.68
O=C(C1CCC(C2CCCO2)O1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197872	0	42	-1.0	-46.15	328.25	3.71	-42.44
O=C(C1CCC(C2CCCO2)O1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197872	1	42	-1.0	-46.16	328.32	3.73	-42.43
CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197873	0	51	-1.0	-54.38	387.46	6.00	-48.38
CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197873	1	51	-1.0	-54.35	387.54	6.00	-48.35
O=C(C1=CC=C(F)C(C(F)(F)F)=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020197874	0	33	-1.0	-43.09	307.26	5.12	-37.97
O=C(C1=CC=C(F)C(C(F)(F)F)=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020197874	1	33	-1.0	-43.11	307.33	5.12	-37.99
CC1=CC(F)=C(C(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1[N+](=O)[O-]	REAL300020197875	0	35	-1.0	-43.80	303.75	4.93	-38.87
CC1=CC(F)=C(C(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1[N+](=O)[O-]	REAL300020197875	1	35	-1.0	-43.80	303.83	4.94	-38.86
O=C(C1=CN=C2OCCCC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197876	0	37	-1.0	-46.13	298.83	1.13	-45.00
O=C(C1=CN=C2OCCCC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197876	1	37	-1.0	-46.17	298.75	1.11	-45.06
O=C(C1=CC(C2=CC=NC=C2)=NO1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197877	0	35	-1.0	-40.09	307.12	3.17	-36.92
O=C(C1=CC(C2=CC=NC=C2)=NO1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197877	1	35	-1.0	-40.13	307.19	3.18	-36.95
O=C(N1CCC(C2=N[N-]N=N2)C1)C(F)(F)CCC1=CC=CC=C1	REAL300020197878	0	39	-1.0	-38.37	330.55	6.27	-32.10
O=C(N1CCC(C2=NN=N[N-]2)C1)C(F)(F)CCC1=CC=CC=C1	REAL300020197878	1	39	-1.0	-38.37	330.63	6.29	-32.08
CC1=CC2=C(C=C(C(=O)N3CCC(C4=N[N-]N=N4)C3)S2)S1	REAL300020197879	0	33	-1.0	-41.86	301.30	5.01	-36.85
CC1=CC2=C(C=C(C(=O)N3CCC(C4=NN=N[N-]4)C3)S2)S1	REAL300020197879	1	33	-1.0	-41.87	301.37	5.02	-36.85
NS(=O)(=O)CC1=CC=CC=C1CC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197880	0	41	-1.0	-48.67	350.56	0.34	-48.33
NS(=O)(=O)CC1=CC=CC=C1CC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197880	1	41	-1.0	-48.67	350.63	0.34	-48.33
O=C(C1=CC2=CC=C(C(F)(F)F)C=C2S1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197881	0	36	-1.0	-40.42	328.25	6.15	-34.27
O=C(C1=CC2=CC=C(C(F)(F)F)C=C2S1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197881	1	36	-1.0	-40.45	328.32	6.15	-34.30
O=C(CC1(C2=CC=C(C(F)(F)F)C=C2)CC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197882	0	43	-1.0	-44.74	362.99	7.54	-37.20
O=C(CC1(C2=CC=C(C(F)(F)F)C=C2)CC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197882	1	43	-1.0	-44.77	363.07	7.55	-37.22
CON(CCC(=O)N1CCC(C2=N[N-]N=N2)C1)C(=O)OC(C)(C)C	REAL300020197883	0	47	-1.0	-44.81	379.65	4.16	-40.65
CON(CCC(=O)N1CCC(C2=NN=N[N-]2)C1)C(=O)OC(C)(C)C	REAL300020197883	1	47	-1.0	-44.83	379.73	4.16	-40.67
O=C(C1=CC2=NNN=C2C(Br)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197884	0	32	-1.0	-41.78	295.37	1.54	-40.24
O=C(C1=CC2=NNN=C2C(Br)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197884	1	32	-1.0	-41.81	295.44	1.56	-40.25
CC(C)(C)OC(=O)N1CCC(O)(C(C)(C)C(=O)N2CCC(C3=N[N-]N=N3)C2)C1	REAL300020197885	0	57	-1.0	-54.27	415.48	2.83	-51.44
CC(C)(C)OC(=O)N1CCC(O)(C(C)(C)C(=O)N2CCC(C3=NN=N[N-]3)C2)C1	REAL300020197885	1	57	-1.0	-54.27	415.55	2.83	-51.44
CC(C)(C)OC(=O)NC1=NOC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020197886	0	43	-1.0	-40.62	353.68	2.54	-38.08
CC(C)(C)OC(=O)NC1=NOC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020197886	1	43	-1.0	-40.60	353.75	2.54	-38.06
COC(=O)C1=CC(C(=O)N2CCC(C3=NN=N[N-]3)C2)=C(F)C=N1	REAL300020197887	0	35	-1.0	-43.16	310.68	2.65	-40.51
COC(=O)C1=CC(C(=O)N2CCC(C3=N[N-]N=N3)C2)=C(F)C=N1	REAL300020197887	1	35	-1.0	-43.11	310.61	2.63	-40.48
O=C(C1=C2SC=CC2=CN=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197888	0	32	-1.0	-44.54	285.52	3.30	-41.24
O=C(C1=C2SC=CC2=CN=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197888	1	32	-1.0	-44.55	285.45	3.28	-41.27
CC(C)OCC1=CC=CC=C1CC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020197889	0	46	-1.0	-45.44	372.12	6.25	-39.19
CC(C)OCC1=CC=CC=C1CC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020197889	1	46	-1.0	-45.44	372.19	6.26	-39.18
O=C([C@@H]1C[C@H]1C1=C(Cl)C=CC=C1Cl)N1CCC(C2=N[N-]N=N2)C1	REAL300020197890	0	37	-1.0	-43.55	336.66	6.85	-36.70
O=C([C@@H]1C[C@H]1C1=C(Cl)C=CC=C1Cl)N1CCC(C2=NN=N[N-]2)C1	REAL300020197890	1	37	-1.0	-43.58	336.73	6.86	-36.72
O=C([C@@H]1CCCC[C@H]1C1=CC=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197891	0	46	-1.0	-44.40	357.98	7.51	-36.89
O=C([C@@H]1CCCC[C@H]1C1=CC=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197891	1	46	-1.0	-44.42	358.05	7.52	-36.90
O=C(C1CC(C2=CC=CC(Br)=C2)=NO1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197892	0	38	-1.0	-48.10	342.76	5.92	-42.18
O=C(C1CC(C2=CC=CC(Br)=C2)=NO1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197892	1	38	-1.0	-48.09	342.83	5.94	-42.15
O=C(CN1C=C(I)C=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197893	0	30	-1.0	-49.57	289.23	3.25	-46.32
O=C(CN1C=C(I)C=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197893	1	30	-1.0	-49.58	289.16	3.24	-46.34
O=C(C1=CN=C2C=C(Br)C=CN12)N1CCC(C2=NN=N[N-]2)C1	REAL300020197894	0	33	-1.0	-42.82	296.88	4.57	-38.25
O=C(C1=CN=C2C=C(Br)C=CN12)N1CCC(C2=N[N-]N=N2)C1	REAL300020197894	1	33	-1.0	-42.82	296.81	4.56	-38.26
O=C(C1=C(Cl)C=NN1C1CCCC1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197895	0	40	-1.0	-39.49	343.61	5.10	-34.39
O=C(C1=C(Cl)C=NN1C1CCCC1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197895	1	40	-1.0	-39.48	343.53	5.09	-34.39
O=C(C1=CC(C2=CC=CC=N2)=NN1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197896	0	36	-1.0	-44.76	308.82	2.40	-42.36
O=C(C1=CC(C2=CC=CC=N2)=NN1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197896	1	36	-1.0	-44.79	308.90	2.40	-42.39
O=C(C1=CN(C2CCS(=O)(=O)C2)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020197897	0	40	-1.0	-52.84	337.93	0.01	-52.83
O=C(C1=CN(C2CCS(=O)(=O)C2)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020197897	1	40	-1.0	-52.79	337.86	0.00	-52.79
CC(C)(C)OC(=O)NC1(C(=O)N2CCC(C3=N[N-]N=N3)C2)CC2CCC(C2)C1	REAL300020197898	0	57	-1.0	-46.56	398.33	6.72	-39.84
CC(C)(C)OC(=O)NC1(C(=O)N2CCC(C3=NN=N[N-]3)C2)CC2CCC(C2)C1	REAL300020197898	1	57	-1.0	-46.54	398.40	6.73	-39.81
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CC(=CC1CCC(C)CC1)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020204531	0	45	-1.0	-43.54	367.73	4.74	-38.80
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COC1=NSC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020204532	0	29	-1.0	-43.24	298.81	-2.12	-45.36
COC1=NSC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020204532	1	29	-1.0	-43.28	298.76	-2.09	-45.37
COC1=CC2=NC=C(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)N2C=C1	REAL300020204533	0	36	-1.0	-47.81	333.35	1.66	-46.15
COC1=CC2=NC=C(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)N2C=C1	REAL300020204533	1	36	-1.0	-47.86	333.30	1.69	-46.17
COC1=CC=CC(S(=O)CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020204534	0	38	-1.0	-56.12	362.86	0.12	-56.00
COC1=CC=CC(S(=O)CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020204534	1	38	-1.0	-56.07	362.91	0.09	-55.98
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CC1=C2OC=C(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)C2=CC=C1	REAL300020204536	1	35	-1.0	-48.20	328.37	3.04	-45.16
CCC(CC1=CC=CC=C1C)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020204537	0	44	-1.0	-44.94	369.75	5.18	-39.76
CCC(CC1=CC=CC=C1C)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020204537	1	44	-1.0	-44.92	369.80	5.15	-39.77
CNC1=CN=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=N1	REAL300020204538	0	32	-1.0	-46.53	305.21	-1.90	-48.43
CNC1=CN=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=N1	REAL300020204538	1	32	-1.0	-46.56	305.15	-1.87	-48.43
O=C(CC1=CC=C(N2C=NN=C2)C=C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020204539	0	38	-1.0	-51.73	353.81	5.69	-46.04
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CN1CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)NC1=O	REAL300020204557	1	32	-1.0	-51.12	300.73	-2.52	-53.64
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CCC(CC)(CO)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020204558	1	38	-1.0	-46.83	321.38	-1.32	-48.15
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C[NH+](C)CCN1C=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=N1	REAL300020204561	1	41	0.0	-72.65	363.10	1.97	-70.68
C[NH+](C)CCN1N=CC=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020204562	0	41	0.0	-62.52	358.23	1.93	-60.59
C[NH+](C)CCN1N=CC=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020204562	1	41	0.0	-62.58	358.18	1.96	-60.62
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CN1C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=CC(=O)C2=CC=CC=C21	REAL300020204565	1	38	-1.0	-51.16	340.20	3.13	-48.03
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CC(C)(C)OC(=O)CC1(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CCC1	REAL300020204568	0	47	-1.0	-49.22	394.72	4.41	-44.81
CC(C)(C)OC(=O)CC1(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CCC1	REAL300020204568	1	47	-1.0	-49.20	394.77	4.39	-44.81
CON1CCC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CC1	REAL300020204569	0	38	-1.0	-45.14	327.55	-0.55	-45.69
CON1CCC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CC1	REAL300020204569	1	38	-1.0	-45.16	327.60	-0.58	-45.74
CC[C@@H]1[C@@H](C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CC[N@@H+]1C	REAL300020204570	0	41	0.0	-66.51	335.37	2.18	-64.33
CC[C@@H]1[C@@H](C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CC[N@H+]1C	REAL300020204570	1	41	0.0	-66.07	340.30	2.52	-63.55
CC[C@@H]1[C@@H](C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CC[N@@H+]1C	REAL300020204570	1	41	0.0	-66.48	335.42	2.15	-64.33
CC[C@@H]1[C@@H](C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CC[N@H+]1C	REAL300020204570	1	41	0.0	-66.05	340.35	2.49	-63.56
CC(C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=NC=C1	REAL300020204571	0	34	-1.0	-46.00	313.99	1.53	-44.47
CC(C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=NC=C1	REAL300020204571	1	34	-1.0	-45.96	314.04	1.50	-44.46
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1CC2(CCC2)C1	REAL300020204572	0	36	-1.0	-43.67	318.42	2.89	-40.78
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1CC2(CCC2)C1	REAL300020204572	1	36	-1.0	-43.60	318.47	2.86	-40.74
COC1=CC=NC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020204573	0	32	-1.0	-47.07	305.21	-0.36	-47.43
COC1=CC=NC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020204573	1	32	-1.0	-47.09	305.16	-0.33	-47.42
CC(CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)N1C=C(Br)C=N1	REAL300020204574	0	35	-1.0	-46.09	341.54	1.77	-44.32
CC(CC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)N1C=C(Br)C=N1	REAL300020204574	1	35	-1.0	-46.10	341.49	1.80	-44.30
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CSC2=CC(Cl)=CN=C12	REAL300020204575	0	31	-1.0	-48.90	326.79	2.15	-46.75
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CSC2=CC(Cl)=CN=C12	REAL300020204575	1	31	-1.0	-48.94	326.74	2.17	-46.77
CCN1C=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=N1	REAL300020204576	0	32	-1.0	-48.90	305.20	0.66	-48.24
CCN1C=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=N1	REAL300020204576	1	32	-1.0	-48.93	305.15	0.69	-48.24
O=C(C=CC1CCCC1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020204577	0	36	-1.0	-43.80	321.72	3.02	-40.78
O=C(C=CC1CCCC1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020204577	1	36	-1.0	-43.78	321.77	2.99	-40.79
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CNC2=C(F)C(F)=CC=C2C1=O	REAL300020204578	0	35	-1.0	-50.16	338.85	2.34	-47.82
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CNC2=C(F)C(F)=CC=C2C1=O	REAL300020204578	1	35	-1.0	-50.14	338.90	2.30	-47.84
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CN(C2=CC=C(F)C=C2)N=C1	REAL300020204579	0	36	-1.0	-46.45	345.65	3.26	-43.19
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CN(C2=CC=C(F)C=C2)N=C1	REAL300020204579	1	36	-1.0	-46.54	345.59	3.29	-43.25
CCOC(=O)C1(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CCCC1	REAL300020204580	0	41	-1.0	-44.93	356.49	3.36	-41.57
CCOC(=O)C1(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CCCC1	REAL300020204580	1	41	-1.0	-44.91	356.55	3.33	-41.58
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CN2CCCCC2=C1	REAL300020204581	0	37	-1.0	-48.30	329.78	3.29	-45.01
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CN2CCCCC2=C1	REAL300020204581	1	37	-1.0	-48.21	329.83	3.26	-44.95
CC1=C(F)C=CC([N+](=O)[O-])=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020204582	0	34	-1.0	-52.24	331.56	3.40	-48.84
CC1=C(F)C=CC([N+](=O)[O-])=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020204582	1	34	-1.0	-52.19	331.61	3.37	-48.82
C[C@@H]1[C@H](C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CC[N@@H+]1C	REAL300020204583	0	38	0.0	-66.87	315.98	1.69	-65.18
C[C@@H]1[C@H](C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CC[N@H+]1C	REAL300020204583	1	38	0.0	-66.92	321.25	1.72	-65.20
C[C@@H]1[C@H](C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CC[N@@H+]1C	REAL300020204583	1	38	0.0	-66.80	316.03	1.66	-65.14
C[C@@H]1[C@H](C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CC[N@H+]1C	REAL300020204583	1	38	0.0	-66.86	321.30	1.69	-65.17
CC1=C([N+](=O)[O-])C=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1[N+](=O)[O-]	REAL300020204584	0	36	-1.0	-44.32	344.57	3.74	-40.58
CC1=C([N+](=O)[O-])C=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1[N+](=O)[O-]	REAL300020204584	1	36	-1.0	-44.28	344.62	3.71	-40.57
O=C(CNS(=O)(=O)C1=CC=CN=C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020204585	0	36	-1.0	-52.10	351.99	-3.37	-55.47
O=C(CNS(=O)(=O)C1=CC=CN=C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020204585	1	36	-1.0	-52.13	351.94	-3.34	-55.47
CCNC1=NC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=CS1	REAL300020204586	0	33	-1.0	-45.41	324.67	-0.09	-45.50
CCNC1=NC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=CS1	REAL300020204586	1	33	-1.0	-45.47	324.61	-0.06	-45.53
NC1=NC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1[N+](=O)[O-]	REAL300020204587	0	32	-1.0	-45.75	311.79	-0.14	-45.89
NC1=NC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1[N+](=O)[O-]	REAL300020204587	1	32	-1.0	-45.83	311.73	-0.11	-45.94
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1(NC2=CC=CC=C2)CC1	REAL300020204588	0	38	-1.0	-42.78	343.68	2.36	-40.42
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1(NC2=CC=CC=C2)CC1	REAL300020204588	1	38	-1.0	-42.79	343.73	2.33	-40.46
O=C(CC1=CC=CC(CC(F)(F)F)=C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020204589	0	38	-1.0	-46.48	363.82	4.52	-41.96
O=C(CC1=CC=CC(CC(F)(F)F)=C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020204589	1	38	-1.0	-46.48	363.88	4.49	-41.99
COCC1(CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CC1	REAL300020204590	0	36	-1.0	-44.61	326.53	0.85	-43.76
COCC1(CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CC1	REAL300020204590	1	36	-1.0	-44.64	326.58	0.82	-43.82
CN1N=C(C2CC2)N=C1CC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020204591	0	38	-1.0	-53.89	351.40	2.19	-51.70
CN1N=C(C2CC2)N=C1CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020204591	1	38	-1.0	-53.80	351.45	2.16	-51.64
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1CCC2=NC=NC=C2C1	REAL300020204592	0	37	-1.0	-46.41	332.12	2.41	-44.00
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1CCC2=NC=NC=C2C1	REAL300020204592	1	37	-1.0	-46.32	332.17	2.38	-43.94
CC1(CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CC1(F)Cl	REAL300020204593	0	32	-1.0	-43.21	313.28	2.30	-40.91
CC1(CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CC1(F)Cl	REAL300020204593	1	32	-1.0	-43.20	313.33	2.27	-40.93
COC1=CC=C2C(=C1)C(C(=O)NCC1=NC(C3=N[N-]N=N3)=CS1)=C(C)N2C	REAL300020204594	0	43	-1.0	-55.65	385.12	3.46	-52.19
COC1=CC=C2C(=C1)C(C(=O)NCC1=NC(C3=NN=N[N-]3)=CS1)=C(C)N2C	REAL300020204594	1	43	-1.0	-55.61	385.17	3.43	-52.18
CC(C)(C)OC(=O)C1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)N=C1	REAL300020204595	0	43	-1.0	-44.92	385.32	3.01	-41.91
CC(C)(C)OC(=O)C1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)N=C1	REAL300020204595	1	43	-1.0	-44.93	385.26	3.04	-41.89
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC2=CC=CC(Cl)=C2S1	REAL300020204596	0	32	-1.0	-46.23	333.67	3.97	-42.26
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC2=CC=CC(Cl)=C2S1	REAL300020204596	1	32	-1.0	-46.21	333.72	3.94	-42.27
O=C(CC1=C2C=CC=CN2N=C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020204597	0	35	-1.0	-50.59	330.63	2.52	-48.07
O=C(CC1=C2C=CC=CN2N=C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020204597	1	35	-1.0	-50.67	330.58	2.55	-48.12
CC1CCN2N=CC(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)=C2C1	REAL300020204598	0	39	-1.0	-46.89	343.08	2.06	-44.83
CC1CCN2N=CC(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)=C2C1	REAL300020204598	1	39	-1.0	-46.85	343.13	2.04	-44.81
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC(Cl)=CC([N+](=O)[O-])=C1[O-]	REAL300020204599	0	31	-2.0	-92.62	326.21	3.39	-89.23
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC(Cl)=CC([N+](=O)[O-])=C1[O-]	REAL300020204599	1	31	-2.0	-92.57	326.26	3.36	-89.21
O=C(CC1=CC=C2OCCCC2=C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020204600	0	40	-1.0	-47.94	356.54	3.38	-44.56
O=C(CC1=CC=C2OCCCC2=C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020204600	1	40	-1.0	-47.91	356.59	3.35	-44.56
CSC1=CC=C(CCCC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1	REAL300020204601	0	42	-1.0	-47.19	385.95	5.36	-41.83
CSC1=CC=C(CCCC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1	REAL300020204601	1	42	-1.0	-47.13	386.00	5.33	-41.80
O=C(CN1N=NN=C1C1=CSC=C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020204602	0	34	-1.0	-53.41	336.86	0.66	-52.75
O=C(CN1N=NN=C1C1=CSC=C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020204602	1	34	-1.0	-53.40	336.91	0.64	-52.76
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=COC2=CC=C(F)C=C12	REAL300020204603	0	32	-1.0	-48.42	313.31	2.47	-45.95
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=COC2=CC=C(F)C=C12	REAL300020204603	1	32	-1.0	-48.39	313.36	2.44	-45.95
CC(C)CN1N=CC=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020204604	0	38	-1.0	-44.22	339.80	2.16	-42.06
CC(C)CN1N=CC=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020204604	1	38	-1.0	-44.28	339.74	2.19	-42.09
CC1=NC2=C(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)C=C(Cl)C=C2C=C1	REAL300020204605	0	37	-1.0	-50.85	355.58	3.98	-46.87
CC1=NC2=C(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)C=C(Cl)C=C2C=C1	REAL300020204605	1	37	-1.0	-50.86	355.63	3.95	-46.91
CCOC(=O)C1CCC(CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CC1	REAL300020204606	0	47	-1.0	-47.89	399.20	4.58	-43.31
CCOC(=O)C1CCC(CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CC1	REAL300020204606	1	47	-1.0	-47.85	399.24	4.55	-43.30
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1CCCCC1C1CC1	REAL300020204607	0	42	-1.0	-42.69	349.41	4.27	-38.42
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1CCCCC1C1CC1	REAL300020204607	1	42	-1.0	-42.68	349.46	4.24	-38.44
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1(C2=CC=CC=C2F)CCC1	REAL300020204608	0	39	-1.0	-45.17	350.96	4.38	-40.79
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1(C2=CC=CC=C2F)CCC1	REAL300020204608	1	39	-1.0	-45.14	351.02	4.35	-40.79
CC(C)(C)OC(=O)CCCC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020204609	0	43	-1.0	-49.86	374.69	3.36	-46.50
CC(C)(C)OC(=O)CCCC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020204609	1	43	-1.0	-49.86	374.75	3.34	-46.52
O=C(CN1C=CC2=CC=C(F)C=C21)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020204610	0	36	-1.0	-50.97	342.41	4.27	-46.70
O=C(CN1C=CC2=CC=C(F)C=C21)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020204610	1	36	-1.0	-50.93	342.46	4.24	-46.69
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=NN2CCOCC2=C1	REAL300020204611	0	34	-1.0	-48.76	316.54	-0.93	-49.69
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=NN2CCOCC2=C1	REAL300020204611	1	34	-1.0	-48.72	316.60	-0.96	-49.68
CC(C)=CCCC(C)CC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020204612	0	44	-1.0	-43.63	372.96	4.54	-39.09
CC(C)=CCCC(C)CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020204612	1	44	-1.0	-43.55	373.01	4.51	-39.04
CC1(C)CC2=CC(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)=CC=C2O1	REAL300020204613	0	40	-1.0	-45.50	355.62	3.31	-42.19
CC1(C)CC2=CC(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)=CC=C2O1	REAL300020204613	1	40	-1.0	-45.54	355.67	3.28	-42.26
CC(C)(C)OC(=O)COCC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020204614	0	41	-1.0	-53.50	366.82	2.55	-50.95
CC(C)(C)OC(=O)COCC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020204614	1	41	-1.0	-53.44	366.87	2.52	-50.92
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC(Cl)=CC=C1N1C=NC=N1	REAL300020204615	0	35	-1.0	-52.88	346.18	5.31	-47.57
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC(Cl)=CC=C1N1C=NC=N1	REAL300020204615	1	35	-1.0	-52.87	346.13	5.34	-47.53
CC1=CC=C(C2=CC=C(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)C=C2)N=N1	REAL300020204616	0	40	-1.0	-50.59	366.49	3.41	-47.18
CC1=CC=C(C2=CC=C(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)C=C2)N=N1	REAL300020204616	1	40	-1.0	-50.51	366.55	3.39	-47.12
CN1C=CC(CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=N1	REAL300020204617	0	32	-1.0	-50.74	304.86	0.51	-50.23
CN1C=CC(CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=N1	REAL300020204617	1	32	-1.0	-50.74	304.91	0.49	-50.25
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CC2=CC=NC=C21	REAL300020204618	0	34	-1.0	-48.17	314.83	2.49	-45.68
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CC2=CC=NC=C21	REAL300020204618	1	34	-1.0	-48.21	314.78	2.52	-45.69
C=CCN1C=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)N=N1	REAL300020204619	0	32	-1.0	-48.82	313.70	-0.24	-49.06
C=CCN1C=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)N=N1	REAL300020204619	1	32	-1.0	-48.85	313.65	-0.22	-49.07
CCCC1=CC=C(CCCC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1	REAL300020204620	0	47	-1.0	-45.76	410.12	6.56	-39.20
CCCC1=CC=C(CCCC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1	REAL300020204620	1	47	-1.0	-45.70	410.17	6.53	-39.17
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C(C2=CC=CC=C2)N=C1	REAL300020204621	0	38	-1.0	-46.80	350.02	3.90	-42.90
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C(C2=CC=CC=C2)N=C1	REAL300020204621	1	38	-1.0	-46.82	349.97	3.93	-42.89
CC1=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=CC=C1N1CCOCC1	REAL300020204622	0	45	-1.0	-44.67	385.73	2.27	-42.40
CC1=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=CC=C1N1CCOCC1	REAL300020204622	1	45	-1.0	-44.60	385.78	2.24	-42.36
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CN(C2CCC2)N=N1	REAL300020204623	0	35	-1.0	-47.81	324.82	0.33	-47.48
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CN(C2CCC2)N=N1	REAL300020204623	1	35	-1.0	-47.86	324.77	0.36	-47.50
CC(C)(C)OC(=O)N[C@H]1C[C@@H](C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C1	REAL300020204624	0	46	-1.0	-46.54	395.54	0.80	-45.74
CC(C)(C)OC(=O)N[C@H]1C[C@@H](C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C1	REAL300020204624	1	46	-1.0	-46.44	395.59	0.77	-45.67
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COC1=CC=C2CCCC(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)C2=C1	REAL300020204675	0	43	-1.0	-46.12	369.50	3.84	-42.28
COC1=CC=C2CCCC(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)C2=C1	REAL300020204675	1	43	-1.0	-46.13	369.55	3.81	-42.32
COC1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)O1	REAL300020204676	0	30	-1.0	-43.86	295.42	0.52	-43.34
COC1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)O1	REAL300020204676	1	30	-1.0	-43.83	295.47	0.49	-43.34
COC1=CN2N=CC(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)=C2C=C1	REAL300020204677	0	36	-1.0	-48.23	335.12	1.02	-47.21
COC1=CN2N=CC(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)=C2C=C1	REAL300020204677	1	36	-1.0	-48.27	335.07	1.05	-47.22
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CC1CC2=CNN=C2C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C1	REAL300020204697	0	39	-1.0	-46.36	339.87	1.34	-45.02
CC1CC2=CNN=C2C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C1	REAL300020204697	1	39	-1.0	-46.33	339.92	1.32	-45.01
CC(C)(C)OC(=O)C1(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CCCO1	REAL300020204698	0	45	-1.0	-46.17	386.47	2.38	-43.79
CC(C)(C)OC(=O)C1(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CCCO1	REAL300020204698	1	45	-1.0	-46.14	386.52	2.35	-43.79
O=C(CC(N1C=CN=C1)C(F)(F)F)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020204699	0	35	-1.0	-46.04	337.28	3.06	-42.98
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CC(C)CC(C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)N1C=CN=C1	REAL300020204702	0	41	-1.0	-47.17	359.84	4.19	-42.98
CC(C)CC(C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)N1C=CN=C1	REAL300020204702	1	41	-1.0	-47.13	359.89	4.16	-42.97
CN1C(Cl)=NC=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020204703	0	29	-1.0	-44.27	294.64	0.90	-43.37
CN1C(Cl)=NC=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020204703	1	29	-1.0	-44.36	294.59	0.93	-43.43
CN1CCCC1C1=NNC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020204704	0	41	-1.0	-44.32	356.41	-1.23	-45.55
CN1CCCC1C1=NNC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020204704	1	41	-1.0	-44.32	356.46	-1.26	-45.58
CN1C(=O)CSC1=CC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020204705	0	32	-1.0	-46.61	312.58	0.56	-46.05
CN1C(=O)CSC1=CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020204705	1	32	-1.0	-46.58	312.63	0.53	-46.05
CC1(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CC(C2=CC=CC=C2)=NO1	REAL300020204706	0	40	-1.0	-49.29	365.59	2.95	-46.34
CC1(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CC(C2=CC=CC=C2)=NO1	REAL300020204706	1	40	-1.0	-49.24	365.64	2.92	-46.32
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CN(C)C(C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C(Cl)C=C1	REAL300020204708	0	40	-1.0	-44.47	370.64	2.27	-42.20
CN(C)C(C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C(Cl)C=C1	REAL300020204708	1	40	-1.0	-44.47	370.69	2.24	-42.23
C[NH+](C)C(C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C(Cl)C=C1	REAL300020204708	1	41	0.0	-61.97	369.92	4.46	-57.51
CC(C)(C)OC(=O)C1(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CCC1	REAL300020204709	0	44	-1.0	-42.66	374.24	3.85	-38.81
CC(C)(C)OC(=O)C1(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CCC1	REAL300020204709	1	44	-1.0	-42.65	374.29	3.83	-38.82
CC1=CC=CC2=NC=C(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)N21	REAL300020204710	0	35	-1.0	-48.86	316.47	2.94	-45.92
CC1=CC=CC2=NC=C(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)N21	REAL300020204710	1	35	-1.0	-48.93	316.42	2.96	-45.97
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CC(=CC1=CC=CC=N1)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020204712	0	35	-1.0	-45.98	322.34	3.05	-42.93
CC(=CC1=CC=CC=N1)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020204712	1	35	-1.0	-45.96	322.39	3.02	-42.94
CC(=CC1=CC=CN=C1)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020204713	0	35	-1.0	-45.20	320.44	2.08	-43.12
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CC(=CC1=CC=CO1)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020204714	0	33	-1.0	-45.48	307.71	2.25	-43.23
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CC(CC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)N1CCC2=CC=CC=C21	REAL300020204716	0	44	-1.0	-46.94	366.23	3.07	-43.87
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CN1N=CC(C2CC2)=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020204825	1	36	-1.0	-44.27	335.00	1.83	-42.44
CC1(C)OCC2CC21C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020204826	0	37	-1.0	-43.79	322.45	1.00	-42.79
CC1(C)OCC2CC21C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020204826	1	37	-1.0	-43.77	322.51	0.97	-42.80
CC(=CC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)C(C)(C)C	REAL300020204827	0	38	-1.0	-43.28	326.82	2.72	-40.56
CC(=CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C(C)(C)C	REAL300020204827	1	38	-1.0	-43.25	326.87	2.69	-40.56
COC1=NOC(CCC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020204828	0	35	-1.0	-47.12	332.16	-0.87	-47.99
COC1=NOC(CCC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020204828	1	35	-1.0	-47.03	332.22	-0.90	-47.93
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=C2C=CNC2=NC=N1	REAL300020204829	0	31	-1.0	-48.94	299.82	1.20	-47.74
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=C2C=CNC2=NC=N1	REAL300020204829	1	31	-1.0	-48.88	299.87	1.17	-47.71
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=C(Cl)C=CC=C1Br	REAL300020204830	0	29	-1.0	-46.58	317.76	2.87	-43.71
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=C(Cl)C=CC=C1Br	REAL300020204830	1	29	-1.0	-46.57	317.81	2.84	-43.73
CN1C=C(C=CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)N=N1	REAL300020204831	0	32	-1.0	-52.22	313.47	-0.18	-52.40
CN1C=C(C=CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)N=N1	REAL300020204831	1	32	-1.0	-52.19	313.52	-0.21	-52.40
CC(C)(C)OC(=O)C1(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CC=CC1	REAL300020204832	0	45	-1.0	-44.51	383.04	4.30	-40.21
CC(C)(C)OC(=O)C1(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CC=CC1	REAL300020204832	1	45	-1.0	-44.44	383.09	4.27	-40.17
CC(C)(C)OC(=O)C(C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)C(C)(C)C	REAL300020204833	0	49	-1.0	-46.88	396.81	5.73	-41.15
CC(C)(C)OC(=O)C(C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C(C)(C)C	REAL300020204833	1	49	-1.0	-46.79	396.86	5.69	-41.10
CC(C)(C)OC(=O)C(C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)C1CC1	REAL300020204834	0	44	-1.0	-44.91	384.04	3.84	-41.07
CC(C)(C)OC(=O)C(C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C1CC1	REAL300020204834	1	44	-1.0	-44.89	384.09	3.82	-41.07
CC(C)(C)OC(=O)C1CCC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CC1	REAL300020204835	0	50	-1.0	-49.97	407.03	4.83	-45.14
CC(C)(C)OC(=O)C1CCC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CC1	REAL300020204835	1	50	-1.0	-49.97	407.08	4.80	-45.17
C=C(C)CC(NC(C)=O)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020204836	0	39	-1.0	-46.89	350.73	0.20	-46.69
C=C(C)CC(NC(C)=O)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020204836	1	39	-1.0	-46.85	350.78	0.17	-46.68
COC1(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CCC(F)(F)CC1	REAL300020204837	0	39	-1.0	-41.89	334.88	1.24	-40.65
COC1(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CCC(F)(F)CC1	REAL300020204837	1	39	-1.0	-41.80	334.93	1.22	-40.58
CN1C=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1C1=CC=CC=C1	REAL300020204838	0	40	-1.0	-48.68	358.19	4.93	-43.75
CN1C=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1C1=CC=CC=C1	REAL300020204838	1	40	-1.0	-48.61	358.25	4.91	-43.70
CCCCCC1=NNC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020204839	0	41	-1.0	-44.27	367.90	2.19	-42.08
CCCCCC1=NNC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020204839	1	41	-1.0	-44.29	367.95	2.16	-42.13
CC(C)[C@H](NCC(F)(F)F)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020204840	0	39	-1.0	-45.13	353.09	0.59	-44.54
CC(C)[C@H](NCC(F)(F)F)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020204840	1	39	-1.0	-45.08	353.14	0.56	-44.52
CNC1=NC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=CS1	REAL300020204841	0	30	-1.0	-45.96	303.18	-0.91	-46.87
CNC1=NC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=CS1	REAL300020204841	1	30	-1.0	-45.95	303.13	-0.88	-46.83
CC1=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C(C)N1C1CCOCC1	REAL300020204842	0	47	-1.0	-46.86	387.84	3.25	-43.61
CC1=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C(C)N1C1CCOCC1	REAL300020204842	1	47	-1.0	-46.82	387.89	3.22	-43.60
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC(C2=CC=C(F)C=C2)=NO1	REAL300020204843	0	35	-1.0	-44.71	343.34	3.09	-41.62
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CC1=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=CC(NCC(F)(F)F)=N1	REAL300020204844	0	39	-1.0	-44.83	370.82	1.83	-43.00
CC1=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=CC(NCC(F)(F)F)=N1	REAL300020204844	1	39	-1.0	-44.76	370.87	1.80	-42.96
CC1=CC([N+](=O)[O-])=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=N1	REAL300020204845	0	33	-1.0	-45.46	325.57	1.62	-43.84
CC1=CC([N+](=O)[O-])=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=N1	REAL300020204845	1	33	-1.0	-45.40	325.62	1.59	-43.81
CC1(C)CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CC(C)(C)C1	REAL300020204846	0	47	-1.0	-43.27	374.82	4.19	-39.08
CC1(C)CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CC(C)(C)C1	REAL300020204846	1	47	-1.0	-43.24	374.87	4.16	-39.08
O=C(CN1C=C(C2CC2)C=N1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020204847	0	36	-1.0	-49.44	334.43	2.28	-47.16
O=C(CN1C=C(C2CC2)C=N1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020204847	1	36	-1.0	-49.51	334.38	2.31	-47.20
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CC2=C1COCC2	REAL300020204848	0	37	-1.0	-46.20	326.32	2.19	-44.01
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CC2=C1COCC2	REAL300020204848	1	37	-1.0	-46.08	326.38	2.16	-43.92
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1CC2(CC2(F)F)C1	REAL300020204849	0	33	-1.0	-44.52	315.07	2.58	-41.94
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1CC2(CC2(F)F)C1	REAL300020204849	1	33	-1.0	-44.48	315.12	2.55	-41.93
CC1=CC(F)=CC(C)=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020204850	0	35	-1.0	-43.67	327.33	3.06	-40.61
CC1=CC(F)=CC(C)=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020204850	1	35	-1.0	-43.62	327.38	3.03	-40.59
CN1N=CC(C2CCC2)=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020204851	0	39	-1.0	-45.99	351.70	2.30	-43.69
CN1N=CC(C2CCC2)=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020204851	1	39	-1.0	-46.03	351.65	2.33	-43.70
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1(N2C=NN=N2)CC1	REAL300020204852	0	31	-1.0	-45.52	303.27	0.11	-45.41
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1(N2C=NN=N2)CC1	REAL300020204852	1	31	-1.0	-45.52	303.22	0.14	-45.38
C[C@@H](C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)N(C)C(=O)OC(C)(C)C	REAL300020204853	0	45	-1.0	-45.06	382.37	2.12	-42.94
C[C@@H](C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)N(C)C(=O)OC(C)(C)C	REAL300020204853	1	45	-1.0	-44.98	382.43	2.09	-42.89
COC(=O)C1=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C(C)O1	REAL300020204854	0	35	-1.0	-46.16	336.20	1.63	-44.53
COC(=O)C1=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C(C)O1	REAL300020204854	1	35	-1.0	-46.10	336.25	1.60	-44.50
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C(CO)C1=CC=CC=C1	REAL300020204855	0	36	-1.0	-46.61	329.52	-0.04	-46.65
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C(CO)C1=CC=CC=C1	REAL300020204855	1	36	-1.0	-46.63	329.57	-0.07	-46.70
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1CCN1C1CCCC1	REAL300020204856	0	41	-1.0	-45.29	347.06	0.53	-44.76
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1CCN1C1CCCC1	REAL300020204856	1	41	-1.0	-45.24	347.11	0.50	-44.74
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1CC[N@@H+]1C1CCCC1	REAL300020204856	1	42	0.0	-62.96	350.55	3.37	-59.59
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1CC[N@H+]1C1CCCC1	REAL300020204856	1	42	0.0	-62.12	349.14	3.25	-58.87
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=C2N=C(CO)NC2=CC=C1	REAL300020204857	0	36	-1.0	-54.18	335.86	-1.55	-55.73
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=C2N=C(CO)NC2=CC=C1	REAL300020204857	1	36	-1.0	-54.10	335.91	-1.58	-55.68
CCC1=CNC(CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=N1	REAL300020204858	0	35	-1.0	-50.75	324.79	0.81	-49.94
CCC1=CNC(CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=N1	REAL300020204858	1	35	-1.0	-50.78	324.84	0.78	-50.00
O=C(CC1=CN=CC2=CC=CC=C21)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020204859	0	37	-1.0	-48.55	340.79	3.07	-45.48
O=C(CC1=CN=CC2=CC=CC=C21)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020204859	1	37	-1.0	-48.58	340.74	3.09	-45.49
CC(=CC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)CN1CCOCC1	REAL300020204860	0	42	-1.0	-44.50	360.39	-0.51	-45.01
CC(=CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)CN1CCOCC1	REAL300020204860	1	42	-1.0	-44.49	360.44	-0.54	-45.03
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=NN=C(C2=CC=CO2)O1	REAL300020204861	0	31	-1.0	-48.51	314.78	-3.81	-52.32
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=NN=C(C2=CC=CO2)O1	REAL300020204861	1	31	-1.0	-48.45	314.83	-3.83	-52.28
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CC2=C1OC(F)(F)O2	REAL300020204862	0	32	-1.0	-49.46	317.13	1.77	-47.69
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CC2=C1OC(F)(F)O2	REAL300020204862	1	32	-1.0	-49.38	317.19	1.74	-47.64
CN(C)C1=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=CC(C(F)(F)F)=C1	REAL300020204863	0	40	-1.0	-44.86	368.40	3.45	-41.41
CN(C)C1=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=CC(C(F)(F)F)=C1	REAL300020204863	1	40	-1.0	-44.79	368.45	3.42	-41.37
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CC(=CC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CO1	REAL300020204866	0	33	-1.0	-44.84	312.30	2.12	-42.72
CC(=CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CO1	REAL300020204866	1	33	-1.0	-44.77	312.35	2.09	-42.68
COC1=CC=CC=C1C(F)(F)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020204867	0	36	-1.0	-46.98	339.70	2.24	-44.74
COC1=CC=CC=C1C(F)(F)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020204867	1	36	-1.0	-46.91	339.75	2.21	-44.70
CC1=NNC2=CC=C(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)C=C12	REAL300020204868	0	35	-1.0	-46.23	326.67	1.36	-44.87
CC1=NNC2=CC=C(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)C=C12	REAL300020204868	1	35	-1.0	-46.25	326.72	1.33	-44.92
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=C(F)C=CC2=CC=NC=C21	REAL300020204869	0	34	-1.0	-50.90	328.52	2.32	-48.58
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NC(=O)N=NC1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1	REAL300020204870	0	35	-1.0	-49.73	339.34	-2.76	-52.49
NC(=O)N=NC1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1	REAL300020204870	1	35	-1.0	-49.68	339.39	-2.78	-52.46
CC1(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CCNC1=O	REAL300020204871	0	33	-1.0	-46.28	301.95	-2.14	-48.42
CC1(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CCNC1=O	REAL300020204871	1	33	-1.0	-46.28	302.00	-2.17	-48.45
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CNC(=S)N1C1CC1	REAL300020204872	0	34	-1.0	-51.08	322.57	2.24	-48.84
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CNC(=S)N1C1CC1	REAL300020204872	1	34	-1.0	-51.01	322.62	2.22	-48.79
O=C(C=CC1=CC=C(C2OCCO2)O1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020204873	0	39	-1.0	-48.53	365.18	1.54	-46.99
O=C(C=CC1=CC=C(C2OCCO2)O1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020204873	1	39	-1.0	-48.45	365.24	1.51	-46.94
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=COC(C2=CC=CN=C2)=N1	REAL300020204874	0	34	-1.0	-48.82	333.44	-1.30	-50.12
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=COC(C2=CC=CN=C2)=N1	REAL300020204874	1	34	-1.0	-48.92	333.39	-1.27	-50.19
CC1=CC=NC=C1CC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020204875	0	34	-1.0	-46.63	315.14	1.50	-45.13
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CC1=CC=NC(NC2=CC=CC(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)=C2)=N1	REAL300020204927	0	42	-1.0	-50.48	381.79	5.19	-45.29
CC1=CC=NC(NC2=CC=CC(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)=C2)=N1	REAL300020204927	1	42	-1.0	-50.51	381.74	5.23	-45.28
CCNC1=NC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)S1	REAL300020204928	0	33	-1.0	-45.13	324.41	0.03	-45.10
CCNC1=NC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)S1	REAL300020204928	1	33	-1.0	-45.24	324.35	0.06	-45.18
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C(C2CC2)C=C1	REAL300020204929	0	36	-1.0	-44.36	327.40	4.17	-40.19
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C(C2CC2)C=C1	REAL300020204929	1	36	-1.0	-44.32	327.46	4.14	-40.18
COC(C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)C1CCCC1	REAL300020204930	0	39	-1.0	-44.23	338.61	2.64	-41.59
COC(C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C1CCCC1	REAL300020204930	1	39	-1.0	-44.21	338.66	2.61	-41.60
CC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020204931	0	39	-1.0	-44.23	348.55	4.62	-39.61
CC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020204931	1	39	-1.0	-44.19	348.60	4.59	-39.60
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1CC2=CC=CC=C2CO1	REAL300020204932	0	37	-1.0	-46.91	335.21	3.27	-43.64
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1CC2=CC=CC=C2CO1	REAL300020204932	1	37	-1.0	-46.89	335.27	3.24	-43.65
COC(C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)C1CCCCC1	REAL300020204933	0	42	-1.0	-45.36	355.83	3.11	-42.25
COC(C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C1CCCCC1	REAL300020204933	1	42	-1.0	-45.34	355.88	3.09	-42.25
CC(CC1=CC=CO1)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020204934	0	35	-1.0	-45.24	320.87	2.17	-43.07
CC(CC1=CC=CO1)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020204934	1	35	-1.0	-45.23	320.92	2.14	-43.09
CC1CC2=CC(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)=CC=C2O1	REAL300020204935	0	37	-1.0	-45.62	335.09	2.66	-42.96
CC1CC2=CC(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)=CC=C2O1	REAL300020204935	1	37	-1.0	-45.55	335.14	2.63	-42.92
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1CC2(C1)CCCCC2	REAL300020204936	0	42	-1.0	-43.62	349.22	3.95	-39.67
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1CC2(C1)CCCCC2	REAL300020204936	1	42	-1.0	-43.62	349.28	3.92	-39.70
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC(Cl)=CC2=CC=CC=C21	REAL300020204937	0	35	-1.0	-45.22	336.37	4.83	-40.39
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC(Cl)=CC2=CC=CC=C21	REAL300020204937	1	35	-1.0	-45.23	336.42	4.80	-40.43
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CN2C=C(C(F)(F)F)N=C12	REAL300020204938	0	35	-1.0	-56.64	345.26	4.18	-52.46
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CN2C=C(C(F)(F)F)N=C12	REAL300020204938	1	35	-1.0	-56.64	345.20	4.21	-52.43
CC1=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C(C)N1C1=CN(C)N=C1	REAL300020204939	0	43	-1.0	-48.56	385.58	3.60	-44.96
CC1=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C(C)N1C1=CN(C)N=C1	REAL300020204939	1	43	-1.0	-48.54	385.53	3.63	-44.91
COCC1=CSC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020204940	0	33	-1.0	-45.68	325.65	0.79	-44.89
COCC1=CSC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020204940	1	33	-1.0	-45.66	325.70	0.76	-44.90
CC[C@@H]1CCO[C@@H]1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020204941	0	36	-1.0	-46.39	312.23	2.22	-44.17
CC[C@@H]1CCO[C@@H]1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020204941	1	36	-1.0	-46.35	312.28	2.19	-44.16
CC(CC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)C1CCCO1	REAL300020204942	0	39	-1.0	-44.78	332.83	1.39	-43.39
CC(CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C1CCCO1	REAL300020204942	1	39	-1.0	-44.74	332.89	1.36	-43.38
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C(NC2=[NH+]CCC2)C=C1	REAL300020204943	0	42	0.0	-62.83	367.25	2.76	-60.07
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C(NC2=[NH+]CCC2)C=C1	REAL300020204943	1	42	0.0	-62.76	367.30	2.73	-60.03
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CC(NCC2=CC=CC=N2)=C1	REAL300020204944	0	43	-1.0	-47.81	389.61	2.79	-45.02
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CC(NCC2=CC=CC=N2)=C1	REAL300020204944	1	43	-1.0	-47.85	389.56	2.82	-45.03
NC1=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=CC(Br)=N1	REAL300020204945	0	30	-1.0	-44.42	310.08	-0.46	-44.88
NC1=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=CC(Br)=N1	REAL300020204945	1	30	-1.0	-44.43	310.03	-0.44	-44.87
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=NOC2=C1COCC2	REAL300020204946	0	33	-1.0	-46.80	310.00	-0.33	-47.13
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=NOC2=C1COCC2	REAL300020204946	1	33	-1.0	-46.71	310.05	-0.36	-47.07
CC1=CN2C=CC(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)=CC2=N1	REAL300020204947	0	35	-1.0	-49.80	326.74	3.20	-46.60
CC1=CN2C=CC(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)=CC2=N1	REAL300020204947	1	35	-1.0	-49.80	326.79	3.17	-46.63
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CN(C2CC2)N=N1	REAL300020204948	0	32	-1.0	-48.50	309.15	-0.13	-48.63
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CN(C2CC2)N=N1	REAL300020204948	1	32	-1.0	-48.54	309.10	-0.10	-48.64
O=C(CC1NC(=O)C2=CC=CC=C21)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020204949	0	37	-1.0	-49.41	342.73	0.49	-48.92
O=C(CC1NC(=O)C2=CC=CC=C21)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020204949	1	37	-1.0	-49.34	342.79	0.46	-48.88
CNC1=CC=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1F	REAL300020204950	0	34	-1.0	-45.52	318.47	0.96	-44.56
CNC1=CC=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1F	REAL300020204950	1	34	-1.0	-45.46	318.53	0.93	-44.53
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1CCC2C(C1)C2(F)F	REAL300020204951	0	36	-1.0	-47.14	320.64	3.04	-44.10
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1CCC2C(C1)C2(F)F	REAL300020204951	1	36	-1.0	-47.11	320.69	3.01	-44.10
CC(F)(F)C1(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CC1	REAL300020204952	0	32	-1.0	-42.59	303.56	1.91	-40.68
CC(F)(F)C1(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CC1	REAL300020204952	1	32	-1.0	-42.58	303.61	1.88	-40.70
CS(=O)(=O)N1CCC[C@H](C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C1	REAL300020204953	0	40	-1.0	-52.50	358.29	-1.29	-53.79
CS(=O)(=O)N1CCC[C@H](C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C1	REAL300020204953	1	40	-1.0	-52.47	358.34	-1.31	-53.78
COC1=CC=C(CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1OC(F)F	REAL300020204954	0	40	-1.0	-50.18	371.35	2.23	-47.95
COC1=CC=C(CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1OC(F)F	REAL300020204954	1	40	-1.0	-50.10	371.40	2.20	-47.90
CC1=CC=CC(CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1Br	REAL300020204955	0	35	-1.0	-46.97	339.25	3.82	-43.15
CC1=CC=CC(CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1Br	REAL300020204955	1	35	-1.0	-46.93	339.30	3.79	-43.14
O=C(COCC(F)F)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020204956	0	29	-1.0	-51.98	290.41	0.39	-51.59
O=C(COCC(F)F)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020204956	1	29	-1.0	-51.92	290.46	0.36	-51.56
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C(C(=O)N2CCOCC2)C=C1	REAL300020204957	0	44	-1.0	-48.99	384.35	1.58	-47.41
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C(C(=O)N2CCOCC2)C=C1	REAL300020204957	1	44	-1.0	-48.94	384.40	1.55	-47.39
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C(CN2C=CN=N2)C=C1	REAL300020204958	0	38	-1.0	-54.28	355.89	2.46	-51.82
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C(CN2C=CN=N2)C=C1	REAL300020204958	1	38	-1.0	-54.32	355.84	2.49	-51.83
COC1=NC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=CO1	REAL300020204959	0	29	-1.0	-47.13	290.20	-4.34	-51.47
COC1=NC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=CO1	REAL300020204959	1	29	-1.0	-47.17	290.15	-4.31	-51.48
CC1=CC(CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=NC=C1Cl	REAL300020204960	0	34	-1.0	-47.28	332.09	2.20	-45.08
CC1=CC(CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=NC=C1Cl	REAL300020204960	1	34	-1.0	-47.26	332.14	2.17	-45.09
NC1=C(Cl)C=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1Cl	REAL300020204961	0	31	-1.0	-43.32	321.86	1.11	-42.21
NC1=C(Cl)C=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1Cl	REAL300020204961	1	31	-1.0	-43.27	321.91	1.08	-42.19
CCC1(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CCC(F)(F)CC1	REAL300020204962	0	41	-1.0	-43.72	344.34	3.28	-40.44
CCC1(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CCC(F)(F)CC1	REAL300020204962	1	41	-1.0	-43.68	344.39	3.25	-40.43
CN1N=CC(C(F)(F)F)=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020204963	0	32	-1.0	-42.72	324.43	0.70	-42.02
CN1N=CC(C(F)(F)F)=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020204963	1	32	-1.0	-42.78	324.38	0.73	-42.05
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)[C@@H]1OCCO[C@@H]1C1=CC=CC=C1	REAL300020204964	0	41	-1.0	-45.37	349.80	3.37	-42.00
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)[C@@H]1OCCO[C@@H]1C1=CC=CC=C1	REAL300020204964	1	41	-1.0	-45.39	349.85	3.34	-42.05
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1(C(F)(F)F)CCOCC1	REAL300020204965	0	36	-1.0	-44.37	321.39	0.76	-43.61
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1(C(F)(F)F)CCOCC1	REAL300020204965	1	36	-1.0	-44.25	321.44	0.73	-43.52
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC(C(F)(F)F)=CC=C1Cl	REAL300020204966	0	32	-1.0	-44.67	329.77	3.59	-41.08
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC(C(F)(F)F)=CC=C1Cl	REAL300020204966	1	32	-1.0	-44.61	329.82	3.56	-41.05
CSCC[C@H](NC(N)=O)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020204967	0	38	-1.0	-57.84	353.20	-1.50	-59.34
CSCC[C@H](NC(N)=O)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020204967	1	38	-1.0	-57.85	353.25	-1.53	-59.38
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1(C2=CC(F)=CC(F)=C2)CCCC1	REAL300020204968	0	42	-1.0	-42.74	370.35	5.47	-37.27
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1(C2=CC(F)=CC(F)=C2)CCCC1	REAL300020204968	1	42	-1.0	-42.68	370.41	5.44	-37.24
CC1=CCC(C)(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CC1	REAL300020204969	0	39	-1.0	-44.30	332.27	3.19	-41.11
CC1=CCC(C)(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CC1	REAL300020204969	1	39	-1.0	-44.27	332.32	3.17	-41.10
CCN1C(=O)NC2=CC(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)=CC=C21	REAL300020204970	0	39	-1.0	-48.71	357.95	1.87	-46.84
CCN1C(=O)NC2=CC(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)=CC=C21	REAL300020204970	1	39	-1.0	-48.63	358.00	1.85	-46.78
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C2NC(=O)N(C3CC3)C2=C1	REAL300020204971	0	40	-1.0	-48.32	362.98	2.53	-45.79
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C2NC(=O)N(C3CC3)C2=C1	REAL300020204971	1	40	-1.0	-48.27	363.03	2.50	-45.77
CC(C)(C)O[C@@H]1C[C@H]1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020204972	0	39	-1.0	-43.39	344.19	1.59	-41.80
CC(C)(C)O[C@@H]1C[C@H]1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020204972	1	39	-1.0	-43.36	344.25	1.57	-41.79
CC1(C)CCCC(O)(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C1	REAL300020204973	0	42	-1.0	-45.02	343.18	0.71	-44.31
CC1(C)CCCC(O)(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C1	REAL300020204973	1	42	-1.0	-44.96	343.23	0.68	-44.28
COC(=O)N1CCC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CC1	REAL300020204974	0	40	-1.0	-49.38	351.82	0.98	-48.40
COC(=O)N1CCC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CC1	REAL300020204974	1	40	-1.0	-49.31	351.88	0.95	-48.36
O=C(CCC1=CC=CN=C1Cl)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020204975	0	34	-1.0	-48.78	331.96	2.05	-46.73
O=C(CCC1=CC=CN=C1Cl)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020204975	1	34	-1.0	-48.79	331.90	2.07	-46.72
COC(C)(C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)C(=O)OC(C)(C)C	REAL300020204976	0	44	-1.0	-46.53	376.57	2.96	-43.57
COC(C)(C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C(=O)OC(C)(C)C	REAL300020204976	1	44	-1.0	-46.49	376.62	2.93	-43.56
CC(C)(C)OC(=O)C1(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CC1(C)C	REAL300020204977	0	47	-1.0	-42.19	389.26	4.56	-37.63
CC(C)(C)OC(=O)C1(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CC1(C)C	REAL300020204977	1	47	-1.0	-42.21	389.31	4.54	-37.67
CC(C)(C)OC(=O)C(C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)C1CCCC1	REAL300020204978	0	50	-1.0	-44.67	413.18	4.85	-39.82
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CC1=NN(C2CCOCC2)C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020205129	0	43	-1.0	-44.73	374.62	1.44	-43.29
CC1=NN(C2CCOCC2)C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020205129	1	43	-1.0	-44.69	374.68	1.41	-43.28
CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020205130	0	48	-1.0	-43.62	403.89	-1.04	-44.66
CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020205130	1	48	-1.0	-43.56	403.95	-1.07	-44.63
CN1N=C(Cl)C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1Cl	REAL300020205131	0	29	-1.0	-46.47	318.17	0.50	-45.97
CN1N=C(Cl)C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1Cl	REAL300020205131	1	29	-1.0	-46.56	318.12	0.53	-46.03
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1CCCC1CC1=CC=CC=C1	REAL300020205132	0	45	-1.0	-45.35	386.29	5.84	-39.51
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1CCCC1CC1=CC=CC=C1	REAL300020205132	1	45	-1.0	-45.30	386.35	5.82	-39.48
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=NN1CCC1=CC=CC=C1	REAL300020205133	0	42	-1.0	-45.16	381.71	4.42	-40.74
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=NN1CCC1=CC=CC=C1	REAL300020205133	1	42	-1.0	-45.19	381.66	4.44	-40.75
CN1C=C(Cl)C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=N1	REAL300020205134	0	29	-1.0	-48.81	299.00	0.34	-48.47
CN1C=C(Cl)C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=N1	REAL300020205134	1	29	-1.0	-48.85	298.95	0.37	-48.48
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1(C2CCCC2)CCNC1=O	REAL300020205135	0	43	-1.0	-52.68	352.19	0.19	-52.49
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1(C2CCCC2)CCNC1=O	REAL300020205135	1	43	-1.0	-52.60	352.24	0.16	-52.44
CCOC1=CC=CC(C=CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020205136	0	40	-1.0	-46.28	364.08	3.48	-42.80
CCOC1=CC=CC(C=CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020205136	1	40	-1.0	-46.23	364.13	3.45	-42.78
COC1=CC=C(C=CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1	REAL300020205137	0	37	-1.0	-45.99	342.16	2.57	-43.42
COC1=CC=C(C=CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1	REAL300020205137	1	37	-1.0	-45.92	342.22	2.54	-43.38
O=C(CC1=CC=C(F)C(Cl)=C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020205138	0	32	-1.0	-47.26	325.43	3.30	-43.96
O=C(CC1=CC=C(F)C(Cl)=C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020205138	1	32	-1.0	-47.19	325.48	3.28	-43.91
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=C(Cl)SC=C1	REAL300020205139	0	26	-1.0	-44.97	283.23	1.57	-43.40
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=C(Cl)SC=C1	REAL300020205139	1	26	-1.0	-44.96	283.28	1.54	-43.42
CC1(C)CC1(C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CC=C1	REAL300020205140	0	42	-1.0	-46.15	363.88	4.75	-41.40
CC1(C)CC1(C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CC=C1	REAL300020205140	1	42	-1.0	-46.10	363.93	4.72	-41.38
O=C(CCOC1=CC=C(Cl)C(F)=C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020205141	0	36	-1.0	-45.41	355.30	2.94	-42.47
O=C(CCOC1=CC=C(Cl)C(F)=C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020205141	1	36	-1.0	-45.42	355.35	2.92	-42.50
CC(=CC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CS1	REAL300020205142	0	33	-1.0	-43.34	321.34	3.11	-40.23
CC(=CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CS1	REAL300020205142	1	33	-1.0	-43.32	321.39	3.08	-40.24
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CSC=C1C(F)(F)F	REAL300020205143	0	29	-1.0	-47.32	302.72	2.05	-45.27
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CSC=C1C(F)(F)F	REAL300020205143	1	29	-1.0	-47.28	302.77	2.02	-45.26
CCCC(C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C(Cl)C=C1	REAL300020205144	0	41	-1.0	-43.74	376.57	5.25	-38.49
CCCC(C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C(Cl)C=C1	REAL300020205144	1	41	-1.0	-43.75	376.61	5.22	-38.53
CC1=NN(C2CCOCC2)C(C)=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020205145	0	46	-1.0	-49.85	400.63	1.81	-48.04
CC1=NN(C2CCOCC2)C(C)=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020205145	1	46	-1.0	-49.85	400.68	1.78	-48.07
CC1=NC=CN=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020205146	0	30	-1.0	-45.67	286.49	-0.88	-46.55
CC1=NC=CN=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020205146	1	30	-1.0	-45.64	286.54	-0.91	-46.55
CCC(NC1=CC=CN=C1Cl)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020205147	0	39	-1.0	-47.70	354.30	0.82	-46.88
CCC(NC1=CC=CN=C1Cl)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020205147	1	39	-1.0	-47.72	354.24	0.85	-46.87
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1CS(=O)(=O)CC1C(F)(F)F	REAL300020205148	0	35	-1.0	-52.29	336.12	-1.34	-53.63
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1CS(=O)(=O)CC1C(F)(F)F	REAL300020205148	1	35	-1.0	-52.25	336.18	-1.36	-53.61
CN1C=C(CCC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)N=N1	REAL300020205149	0	34	-1.0	-52.05	321.02	0.03	-52.02
CN1C=C(CCC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)N=N1	REAL300020205149	1	34	-1.0	-51.97	321.07	0.00	-51.97
CCOCCOCCCC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020205150	0	42	-1.0	-48.77	375.33	0.79	-47.98
CCOCCOCCCC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020205150	1	42	-1.0	-48.74	375.38	0.77	-47.97
COC1=CC=CC(C(OC)C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020205151	0	40	-1.0	-46.27	364.18	2.20	-44.07
COC1=CC=CC(C(OC)C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020205151	1	40	-1.0	-46.24	364.23	2.17	-44.07
COCCOCCOCCCC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020205152	0	46	-1.0	-50.47	408.96	0.16	-50.31
COCCOCCOCCCC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020205152	1	46	-1.0	-50.46	409.01	0.13	-50.33
COC1=CC2=CC=C(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)C=C2C=C1OC	REAL300020205153	0	43	-1.0	-47.83	382.65	3.57	-44.26
COC1=CC2=CC=C(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)C=C2C=C1OC	REAL300020205153	1	43	-1.0	-47.77	382.70	3.54	-44.23
CSC1=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C(C)O1	REAL300020205154	0	33	-1.0	-44.44	324.30	2.05	-42.39
CSC1=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C(C)O1	REAL300020205154	1	33	-1.0	-44.37	324.35	2.02	-42.35
O=C(CC1(N2C=NN=N2)CCOCC1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020205155	0	41	-1.0	-56.25	351.90	0.76	-55.49
O=C(CC1(N2C=NN=N2)CCOCC1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020205155	1	41	-1.0	-56.25	351.84	0.78	-55.47
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC(Cl)=NO1	REAL300020205156	0	25	-1.0	-42.51	274.07	-0.13	-42.64
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC(Cl)=NO1	REAL300020205156	1	25	-1.0	-42.50	274.02	-0.10	-42.60
CN1C(=O)NCC1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020205157	0	32	-1.0	-51.39	300.18	-2.46	-53.85
CN1C(=O)NCC1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020205157	1	32	-1.0	-51.40	300.23	-2.49	-53.89
CCC(C)(C)C(=O)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020205158	0	36	-1.0	-42.77	314.37	1.29	-41.48
CCC(C)(C)C(=O)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020205158	1	36	-1.0	-42.70	314.42	1.26	-41.44
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=N1	REAL300020205159	0	42	-2.0	-108.03	387.66	3.02	-105.01
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=N1	REAL300020205159	1	42	-2.0	-108.04	387.72	2.99	-105.05
CC(=O)NC1=CNC(=O)C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020205160	0	36	-1.0	-61.96	339.80	-1.82	-63.78
CC(=O)NC1=CNC(=O)C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020205160	1	36	-1.0	-61.97	339.85	-1.85	-63.82
CC1=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C(N2C=CC=C2)S1	REAL300020205161	0	37	-1.0	-46.23	352.53	4.95	-41.28
CC1=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C(N2C=CC=C2)S1	REAL300020205161	1	37	-1.0	-46.14	352.59	4.92	-41.22
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300020205162	0	35	-2.0	-96.13	335.16	1.82	-94.31
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CC(NC2=NN=N[N-]2)=C1	REAL300020205162	1	35	-2.0	-96.18	335.11	1.85	-94.33
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300020205162	1	35	-2.0	-95.92	335.25	1.81	-94.11
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CC(NC2=N[N-]N=N2)=C1	REAL300020205162	1	35	-2.0	-95.95	335.20	1.84	-94.11
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020205163	0	32	-2.0	-83.36	321.44	-1.29	-84.65
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020205163	1	32	-2.0	-83.34	321.37	-1.29	-84.63
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C(C2=NN=N[N-]2)C=N1	REAL300020205163	1	32	-2.0	-83.32	321.49	-1.31	-84.63
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C(C2=N[N-]N=N2)C=N1	REAL300020205163	1	32	-2.0	-83.29	321.42	-1.32	-84.61
O=C(COCC1=NC(C2=CC=CC=C2)=NO1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020205164	0	41	-1.0	-54.77	388.27	1.75	-53.02
O=C(COCC1=NC(C2=CC=CC=C2)=NO1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020205164	1	41	-1.0	-54.79	388.21	1.78	-53.01
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=C(C(F)(F)F)C=NN1	REAL300020205165	0	29	-1.0	-45.01	296.28	-0.40	-45.41
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=C(C(F)(F)F)C=NN1	REAL300020205165	1	29	-1.0	-44.95	296.33	-0.43	-45.38
O=C(CC1=CC(C2CC2)=NO1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020205166	0	35	-1.0	-48.52	329.91	2.42	-46.10
O=C(CC1=CC(C2CC2)=NO1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020205166	1	35	-1.0	-48.51	329.96	2.39	-46.12
O=C(CCCN1C(=O)[N-]NC1=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020205167	0	35	-2.0	-89.41	336.86	-2.75	-92.16
O=C(CCCN1C(=O)[N-]NC1=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020205167	1	35	-2.0	-89.39	336.91	-2.78	-92.17
CN1C=CC(NC2=CC=C(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)C=C2)=N1	REAL300020205168	0	41	-1.0	-48.33	371.29	3.05	-45.28
CN1C=CC(NC2=CC=C(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)C=C2)=N1	REAL300020205168	1	41	-1.0	-48.36	371.24	3.08	-45.28
CC1=NOC(C2(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)CC2)=C1	REAL300020205169	0	35	-1.0	-44.37	331.21	2.16	-42.21
CC1=NOC(C2(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)CC2)=C1	REAL300020205169	1	35	-1.0	-44.35	331.26	2.13	-42.22
O=C(CC1CCN(CC(F)(F)F)CC1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020205170	0	43	-1.0	-44.21	374.55	1.81	-42.40
O=C(CC1CCN(CC(F)(F)F)CC1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020205170	1	43	-1.0	-44.18	374.60	1.78	-42.40
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1CCCC2CCC[N@@H+]21	REAL300020205171	0	42	0.0	-56.33	342.88	3.28	-53.05
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1CCCC2CCC[N@H+]21	REAL300020205171	1	42	0.0	-56.83	342.97	3.29	-53.54
CC1CN(C)CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)O1	REAL300020205172	0	38	-1.0	-46.19	334.14	-0.74	-46.93
CC1CN(C)CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)O1	REAL300020205172	1	38	-1.0	-46.15	334.20	-0.77	-46.92
CC1C[N@H+](C)CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)O1	REAL300020205172	1	39	0.0	-58.49	329.93	1.49	-57.00
CC1C[N@@H+](C)CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)O1	REAL300020205172	1	39	0.0	-69.72	329.91	1.48	-68.24
CN1C=NC2=CN=CC(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)=C21	REAL300020205173	0	34	-1.0	-47.25	312.28	1.50	-45.75
CN1C=NC2=CN=CC(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)=C21	REAL300020205173	1	34	-1.0	-47.28	312.22	1.53	-45.75
C[N@@H+]1CCCC1CCC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020205174	0	41	0.0	-64.37	340.30	2.51	-61.86
C[N@H+]1CCCC1CCC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020205174	1	41	0.0	-65.28	340.34	2.50	-62.78
C[N@@H+]1CCCC1CCC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020205174	1	41	0.0	-64.31	340.36	2.48	-61.83
C[N@H+]1CCCC1CCC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020205174	1	41	0.0	-65.26	340.40	2.47	-62.79
O=C(C=CCN1C=NC=N1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020205175	0	32	-1.0	-51.14	313.18	2.76	-48.38
O=C(C=CCN1C=NC=N1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020205175	1	32	-1.0	-51.15	313.12	2.79	-48.36
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O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC2=C(Cl)N=CC=C2O1	REAL300020205229	0	31	-1.0	-44.88	321.14	1.10	-43.78
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC2=C(Cl)N=CC=C2O1	REAL300020205229	1	31	-1.0	-44.96	321.09	1.12	-43.84
O=C(CCNC(=O)C1=CC2=CC=CC=C2N1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020205230	0	43	-1.0	-53.13	393.06	1.14	-51.99
O=C(CCNC(=O)C1=CC2=CC=CC=C2N1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020205230	1	43	-1.0	-53.13	393.12	1.11	-52.02
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=COC(C(F)(F)F)=N1	REAL300020205231	0	28	-1.0	-44.66	298.82	-2.20	-46.86
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=COC(C(F)(F)F)=N1	REAL300020205231	1	28	-1.0	-44.74	298.77	-2.18	-46.92
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=C(F)C=NC=C1F	REAL300020205232	0	28	-1.0	-45.48	289.59	0.24	-45.24
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=C(F)C=NC=C1F	REAL300020205232	1	28	-1.0	-45.48	289.54	0.27	-45.21
COC1=CC=C(C=O)C=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020205233	0	35	-1.0	-49.08	328.66	2.37	-46.71
COC1=CC=C(C=O)C=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020205233	1	35	-1.0	-49.00	328.71	2.34	-46.66
O=CC1=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=CC=C1F	REAL300020205234	0	31	-1.0	-47.43	306.92	1.85	-45.58
O=CC1=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=CC=C1F	REAL300020205234	1	31	-1.0	-47.40	306.98	1.82	-45.58
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CSN=C1Cl	REAL300020205235	0	25	-1.0	-45.15	277.42	0.11	-45.04
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CSN=C1Cl	REAL300020205235	1	25	-1.0	-45.18	277.37	0.13	-45.05
CS(=O)(=O)N1CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C1	REAL300020205236	0	34	-1.0	-49.87	329.09	-2.96	-52.83
CS(=O)(=O)N1CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C1	REAL300020205236	1	34	-1.0	-49.79	329.14	-2.99	-52.78
O=C(CCOC1COC1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020205237	0	34	-1.0	-44.80	316.15	-1.62	-46.42
O=C(CCOC1COC1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020205237	1	34	-1.0	-44.72	316.20	-1.65	-46.37
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C(OCC2=CC=CC=C2)C=N1	REAL300020205238	0	42	-1.0	-46.20	386.75	3.58	-42.62
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C(OCC2=CC=CC=C2)C=N1	REAL300020205238	1	42	-1.0	-46.26	386.70	3.60	-42.66
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CSC=C1Cl	REAL300020205239	0	26	-1.0	-45.54	283.26	1.49	-44.05
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CSC=C1Cl	REAL300020205239	1	26	-1.0	-45.54	283.32	1.46	-44.08
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)[C@@H]1C[C@H]1C1CCOCC1	REAL300020205240	0	40	-1.0	-45.22	347.92	2.02	-43.20
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)[C@@H]1C[C@H]1C1CCOCC1	REAL300020205240	1	40	-1.0	-45.20	347.97	1.99	-43.21
CC1=NC(C2=CC=C(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)S2)=CS1	REAL300020205241	0	35	-1.0	-45.65	358.26	2.57	-43.08
CC1=NC(C2=CC=C(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)S2)=CS1	REAL300020205241	1	35	-1.0	-45.71	358.21	2.60	-43.11
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)[C@@H]1CC[C@H](CC2=CC=CC=C2)O1	REAL300020205242	0	43	-1.0	-47.94	381.22	4.84	-43.10
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)[C@@H]1CC[C@H](CC2=CC=CC=C2)O1	REAL300020205242	1	43	-1.0	-47.94	381.27	4.81	-43.13
CCC(CC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)C(C)(C)C	REAL300020205243	0	43	-1.0	-42.98	344.68	3.14	-39.84
CCC(CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C(C)(C)C	REAL300020205243	1	43	-1.0	-42.93	344.74	3.11	-39.82
CCC1=CC=C(F)C=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020205244	0	35	-1.0	-43.91	318.58	3.50	-40.41
CCC1=CC=C(F)C=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020205244	1	35	-1.0	-43.89	318.65	3.47	-40.42
O=C(C[C@@H]1NC(=O)C2=CC=CC=C2NC1=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020205245	0	41	-1.0	-50.92	369.15	-1.32	-52.24
O=C(C[C@@H]1NC(=O)C2=CC=CC=C2NC1=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020205245	1	41	-1.0	-50.83	369.20	-1.34	-52.17
COCC1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=CS1	REAL300020205246	0	33	-1.0	-46.22	320.10	0.81	-45.41
COCC1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=CS1	REAL300020205246	1	33	-1.0	-46.16	320.15	0.78	-45.38
CN1C=CC2=CC=C(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)C=C21	REAL300020205247	0	36	-1.0	-47.73	331.88	3.80	-43.93
CN1C=CC2=CC=C(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)C=C21	REAL300020205247	1	36	-1.0	-47.75	331.93	3.77	-43.98
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1(C2=CC=NC3=CC=CC=C32)CC1	REAL300020205248	0	41	-1.0	-44.83	368.89	4.05	-40.78
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1(C2=CC=NC3=CC=CC=C32)CC1	REAL300020205248	1	41	-1.0	-44.86	368.84	4.08	-40.78
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1(C2CCCCO2)CCC1	REAL300020205249	0	43	-1.0	-44.71	360.43	2.74	-41.97
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1(C2CCCCO2)CCC1	REAL300020205249	1	43	-1.0	-44.70	360.48	2.71	-41.99
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1(C2=CC=C([N+](=O)[O-])C=C2)CCC1	REAL300020205250	0	41	-1.0	-45.18	373.49	5.02	-40.16
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1(C2=CC=C([N+](=O)[O-])C=C2)CCC1	REAL300020205250	1	41	-1.0	-45.15	373.54	4.99	-40.16
CC(C)(C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CC(C(F)(F)F)=N1	REAL300020205251	0	40	-1.0	-51.74	369.11	3.59	-48.15
CC(C)(C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CC(C(F)(F)F)=N1	REAL300020205251	1	40	-1.0	-51.83	369.05	3.62	-48.21
COC1=CC=C(F)C(OC)=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020205252	0	37	-1.0	-49.64	349.63	0.93	-48.71
COC1=CC=C(F)C(OC)=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020205252	1	37	-1.0	-49.56	349.68	0.89	-48.67
COC1=CC=NC(OC)=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020205253	0	36	-1.0	-49.84	338.27	-1.97	-51.81
COC1=CC=NC(OC)=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020205253	1	36	-1.0	-49.89	338.22	-1.94	-51.83
COC(=O)C1=NN(C)C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020205254	0	35	-1.0	-46.80	335.29	0.32	-46.48
COC(=O)C1=NN(C)C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020205254	1	35	-1.0	-46.81	335.24	0.35	-46.46
COC(=O)[C@@H]1O[C@@H](C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C[C@H]1C	REAL300020205255	0	39	-1.0	-52.47	355.33	2.23	-50.24
COC(=O)[C@@H]1O[C@@H](C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C[C@H]1C	REAL300020205255	1	39	-1.0	-52.44	355.39	2.20	-50.24
O=C(C=CC1=CC=C(Cl)S1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020205256	0	30	-1.0	-44.06	320.00	2.95	-41.11
O=C(C=CC1=CC=C(Cl)S1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020205256	1	30	-1.0	-44.01	320.05	2.92	-41.09
O=C(C=CC1=CC=CC=C1OC(F)(F)F)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020205257	0	37	-1.0	-46.74	357.61	3.12	-43.62
O=C(C=CC1=CC=CC=C1OC(F)(F)F)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020205257	1	37	-1.0	-46.80	357.66	3.09	-43.71
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=NN(C2CCOCC2)C=C1	REAL300020205258	0	40	-1.0	-47.34	356.29	0.64	-46.70
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=NN(C2CCOCC2)C=C1	REAL300020205258	1	40	-1.0	-47.33	356.24	0.67	-46.66
CC1(C)[C@@]2(C)CC[C@]1(C(=O)NCC1=NC(C3=N[N-]N=N3)=CS1)OC2=O	REAL300020205259	0	42	-1.0	-46.14	355.88	2.63	-43.51
CC1(C)[C@@]2(C)CC[C@]1(C(=O)NCC1=NC(C3=NN=N[N-]3)=CS1)OC2=O	REAL300020205259	1	42	-1.0	-46.11	355.93	2.60	-43.51
CC1=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C(C2=CC=CC=C2)O1	REAL300020205260	0	39	-1.0	-45.13	359.24	4.59	-40.54
CC1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C(C2=CC=CC=C2)O1	REAL300020205260	1	39	-1.0	-45.09	359.29	4.56	-40.53
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1CNC(=O)C2=CC=CC=C21	REAL300020205261	0	37	-1.0	-54.55	338.33	0.44	-54.11
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1CNC(=O)C2=CC=CC=C21	REAL300020205261	1	37	-1.0	-54.52	338.39	0.41	-54.11
O=C(CC1CCC(F)(F)CC1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020205262	0	38	-1.0	-45.34	333.79	3.15	-42.19
O=C(CC1CCC(F)(F)CC1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020205262	1	38	-1.0	-45.33	333.84	3.12	-42.21
CC1=CN(CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)N=C1C(F)(F)F	REAL300020205263	0	35	-1.0	-51.40	344.72	1.75	-49.65
CC1=CN(CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)N=C1C(F)(F)F	REAL300020205263	1	35	-1.0	-51.43	344.66	1.78	-49.65
CC1=CC=CC([C@@H]2C[C@H]2C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020205264	0	39	-1.0	-44.44	352.16	4.76	-39.68
CC1=CC=CC([C@@H]2C[C@H]2C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020205264	1	39	-1.0	-44.40	352.21	4.73	-39.67
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=C(C(F)F)O1	REAL300020205265	0	29	-1.0	-43.88	297.50	1.18	-42.70
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=C(C(F)F)O1	REAL300020205265	1	29	-1.0	-43.80	297.55	1.15	-42.65
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=C(C(F)F)N=CO1	REAL300020205266	0	28	-1.0	-48.05	286.78	-2.36	-50.41
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=C(C(F)F)N=CO1	REAL300020205266	1	28	-1.0	-48.09	286.83	-2.38	-50.47
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CC(C#CCO)=C1	REAL300020205267	0	35	-1.0	-49.63	338.68	0.87	-48.76
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CC(C#CCO)=C1	REAL300020205267	1	35	-1.0	-49.56	338.73	0.85	-48.71
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC(=O)NC=N1	REAL300020205268	0	28	-1.0	-51.54	280.37	-1.12	-52.66
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC(=O)NC=N1	REAL300020205268	1	28	-1.0	-51.50	280.42	-1.15	-52.65
O=C(CN1CCOC1=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020205269	0	31	-1.0	-52.21	298.07	-0.43	-52.64
O=C(CN1CCOC1=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020205269	1	31	-1.0	-52.13	298.13	-0.46	-52.59
CC(C)(C)OC(=O)N[C@H](CO)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020205270	0	43	-1.0	-47.35	377.67	-3.52	-50.87
CC(C)(C)OC(=O)N[C@H](CO)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020205270	1	43	-1.0	-47.38	377.73	-3.55	-50.93
O=C(CCCN1C=NC=N1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020205271	0	34	-1.0	-52.42	321.53	2.93	-49.49
O=C(CCCN1C=NC=N1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020205271	1	34	-1.0	-52.46	321.47	2.96	-49.50
CC1=C(C=O)C(C)=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)N1	REAL300020205272	0	35	-1.0	-46.07	324.29	0.84	-45.23
CC1=C(C=O)C(C)=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)N1	REAL300020205272	1	35	-1.0	-46.06	324.34	0.81	-45.25
O=C(CN1CCNC(=O)C1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020205273	0	35	-1.0	-53.00	315.11	-3.84	-56.84
O=C(CN1CCNC(=O)C1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020205273	1	35	-1.0	-52.95	315.17	-3.86	-56.81
CCCC=CC(O)C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020205274	0	36	-1.0	-44.19	328.44	0.76	-43.43
CCCC=CC(O)C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020205274	1	36	-1.0	-44.19	328.50	0.73	-43.46
COC1=CC(CO)=CC=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020205275	0	37	-1.0	-50.21	338.34	-0.06	-50.27
COC1=CC(CO)=CC=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020205275	1	37	-1.0	-50.15	338.39	-0.08	-50.23
O=C(CC1CCN(CC(F)F)CC1)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020205276	0	43	-1.0	-47.51	360.52	1.07	-46.44
O=C(CC1CCN(CC(F)F)CC1)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020205276	1	43	-1.0	-47.46	360.57	1.04	-46.42
COC1=CC(OC)=C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)C=C1C=O	REAL300020205277	0	39	-1.0	-52.50	356.82	1.78	-50.72
COC1=CC(OC)=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C=C1C=O	REAL300020205277	1	39	-1.0	-52.44	356.87	1.75	-50.69
NC1=C2N=CN(CCCC(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)C2=NC=N1	REAL300020205278	0	41	-1.0	-55.47	377.88	2.88	-52.59
NC1=C2N=CN(CCCC(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)C2=NC=N1	REAL300020205278	1	41	-1.0	-55.52	377.82	2.91	-52.61
NC1=C2N=CN(CCCCC(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)C2=NC=N1	REAL300020205279	0	44	-1.0	-51.10	399.37	3.66	-47.44
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CC(C)(C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1)N1CCCCC1	REAL300020205280	0	43	-1.0	-43.49	347.67	1.69	-41.80
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CC1(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CC(C2CC2)=NO1	REAL300020207839	0	37	-1.0	-45.61	338.74	1.61	-44.00
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CCC1=NOC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020207851	0	31	-1.0	-44.44	300.34	0.82	-43.62
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COC1CC(CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C1(C)C	REAL300020207893	1	42	-1.0	-45.76	359.20	1.92	-43.84
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O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1CCC2(CC2(F)F)C1	REAL300020207897	0	36	-1.0	-45.54	330.94	3.12	-42.42
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1CCC2(CC2(F)F)C1	REAL300020207897	1	36	-1.0	-45.50	330.99	3.09	-42.41
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1CCCC2C1C2(F)F	REAL300020207898	0	36	-1.0	-46.63	320.59	2.95	-43.68
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CC(C)(C)[C@@H]1CCCC[C@@H]1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020207901	0	47	-1.0	-42.38	357.95	4.11	-38.27
CC(C)(C)[C@@H]1CCCC[C@@H]1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020207901	1	47	-1.0	-42.35	358.01	4.08	-38.27
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CC1=C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)C(C(F)F)=NN1C	REAL300020207903	1	35	-1.0	-47.62	339.06	1.02	-46.60
COC(=O)[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020207904	0	40	-1.0	-52.36	353.58	0.82	-51.54
COC(=O)[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020207904	1	40	-1.0	-52.29	353.64	0.78	-51.51
CCC1=CC=C(C(=O)C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)S1	REAL300020207905	0	34	-1.0	-44.21	333.71	2.52	-41.69
CCC1=CC=C(C(=O)C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)S1	REAL300020207905	1	34	-1.0	-44.16	333.76	2.49	-41.67
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC(C2CCCC2)=NN1	REAL300020207906	0	39	-1.0	-44.04	344.57	1.61	-42.43
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC(C2CCCC2)=NN1	REAL300020207906	1	39	-1.0	-44.04	344.63	1.58	-42.46
CC1(C)OC2=CC(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)=CC=C2NC1=O	REAL300020207907	0	41	-1.0	-46.73	368.53	0.62	-46.11
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CC(C)(C)OC(=O)NC1=NOC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020207937	0	42	-1.0	-45.17	378.68	0.67	-44.50
CC(C)(C)OC(=O)NC1=NOC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020207937	1	42	-1.0	-45.14	378.73	0.64	-44.50
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COC(=O)C1=CC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C(F)C=N1	REAL300020207939	0	34	-1.0	-47.06	333.82	0.97	-46.09
COC(=O)C1=CC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C(F)C=N1	REAL300020207939	1	34	-1.0	-47.11	333.76	1.00	-46.11
CC1=CC2=C(OCC2)C(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)=C1	REAL300020207940	0	37	-1.0	-49.34	334.56	3.48	-45.86
CC1=CC2=C(OCC2)C(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)=C1	REAL300020207940	1	37	-1.0	-49.33	334.61	3.46	-45.87
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CC(C)C(C)C(C)CC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020207942	0	43	-1.0	-43.30	347.75	3.26	-40.04
CC(C)C(C)C(C)CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020207942	1	43	-1.0	-43.27	347.81	3.24	-40.03
COC1CC2(C1)CC(C(=O)NCC1=NC(C3=N[N-]N=N3)=CS1)C2	REAL300020207943	0	40	-1.0	-44.97	351.84	1.86	-43.11
COC1CC2(C1)CC(C(=O)NCC1=NC(C3=NN=N[N-]3)=CS1)C2	REAL300020207943	1	40	-1.0	-44.99	351.90	1.83	-43.16
CC(C)OCC1=CC=CC=C1CC(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020207944	0	45	-1.0	-46.51	394.21	4.22	-42.29
CC(C)OCC1=CC=CC=C1CC(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020207944	1	45	-1.0	-46.48	394.26	4.19	-42.29
CO[C@@H]1C[C@@]2(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)C[C@@H]12	REAL300020207945	0	34	-1.0	-46.06	315.18	0.71	-45.35
CO[C@@H]1C[C@@]2(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)C[C@@H]12	REAL300020207945	1	34	-1.0	-46.02	315.24	0.68	-45.34
CC1(C)CCC(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CO1	REAL300020207946	0	39	-1.0	-43.86	329.82	1.08	-42.78
CC1(C)CCC(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CO1	REAL300020207946	1	39	-1.0	-43.81	329.87	1.05	-42.76
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CC1(C(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CC1C(F)(F)F	REAL300020207949	0	32	-1.0	-42.50	303.67	2.00	-40.50
CC1(C(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CC1C(F)(F)F	REAL300020207949	1	32	-1.0	-42.42	303.71	1.97	-40.45
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CC12CC(C(=O)NCC3=NC(C4=N[N-]N=N4)=CS3)(CO1)CCC2	REAL300020207951	0	40	-1.0	-43.17	334.77	1.31	-41.86
CC12CC(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)(CO1)CCC2	REAL300020207951	1	40	-1.0	-43.08	334.82	1.28	-41.80
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C12CCCC1C2(F)F	REAL300020207952	0	33	-1.0	-46.49	308.97	2.44	-44.05
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O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)[C@@H]1CCCC[C@H]1C1=CC=CC=C1	REAL300020207953	0	45	-1.0	-44.15	377.21	5.63	-38.52
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)[C@@H]1CCCC[C@H]1C1=CC=CC=C1	REAL300020207953	1	45	-1.0	-44.14	377.26	5.61	-38.53
CN1C=NC2=C(C(=O)NCC3=NC(C4=NN=N[N-]4)=CS3)C=CC=C21	REAL300020207954	0	35	-1.0	-55.26	326.15	3.53	-51.73
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CC1(CC(=O)NCC2=NC(C3=N[N-]N=N3)=CS2)CCCO1	REAL300020207960	0	36	-1.0	-43.68	310.07	1.50	-42.18
CC1(CC(=O)NCC2=NC(C3=NN=N[N-]3)=CS2)CCCO1	REAL300020207960	1	36	-1.0	-43.64	310.12	1.47	-42.17
NC1=NC(Cl)=C(Cl)N=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020207961	0	29	-1.0	-41.58	312.83	-1.62	-43.20
NC1=NC(Cl)=C(Cl)N=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020207961	1	29	-1.0	-41.59	312.78	-1.59	-43.18
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=NC2=CC=CNC2=C1	REAL300020207962	0	32	-1.0	-62.22	308.17	0.21	-62.01
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=NC2=CC=CNC2=C1	REAL300020207962	1	32	-1.0	-62.20	308.23	0.18	-62.02
CN1N=CC(C(=O)OC(C)(C)C)=C1C(=O)NCC1=NC(C2=NN=N[N-]2)=CS1	REAL300020207963	0	44	-1.0	-45.71	394.08	2.13	-43.58
CN1N=CC(C(=O)OC(C)(C)C)=C1C(=O)NCC1=NC(C2=N[N-]N=N2)=CS1	REAL300020207963	1	44	-1.0	-45.77	394.03	2.16	-43.61
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1C2C3CC1C(=O)C32	REAL300020207964	0	33	-1.0	-54.47	304.38	1.83	-52.64
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1C2C3CC1C(=O)C32	REAL300020207964	1	33	-1.0	-54.49	304.44	1.80	-52.69
O=C(NCC1=NC(C2=NN=N[N-]2)=CS1)C1=CC=CN2N=NC=C12	REAL300020207965	0	31	-1.0	-51.63	298.81	0.53	-51.10
O=C(NCC1=NC(C2=N[N-]N=N2)=CS1)C1=CC=CN2N=NC=C12	REAL300020207965	1	31	-1.0	-51.65	298.75	0.55	-51.10
O=C(C1=CNC(C2CC2)=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211529	0	40	-1.0	-51.15	310.70	5.18	-45.97
O=C(C1=CNC(C2CC2)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211529	1	40	-1.0	-51.16	310.75	5.18	-45.98
O=C(CC1=CC(F)=C(F)C=C1F)N1CCCCC1CC1=N[N-]N=N1	REAL300020211530	0	39	-1.0	-47.51	321.43	6.65	-40.86
O=C(CC1=CC(F)=C(F)C=C1F)N1CCCCC1CC1=NN=N[N-]1	REAL300020211530	1	39	-1.0	-47.50	321.48	6.66	-40.84
CC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1Cl	REAL300020211531	0	39	-1.0	-46.89	317.67	6.64	-40.25
CC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1Cl	REAL300020211531	1	39	-1.0	-46.88	317.72	6.65	-40.23
O=C(C1=NOC(C2=CC=C(F)C=C2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211532	0	42	-1.0	-46.65	340.95	7.09	-39.56
O=C(C1=NOC(C2=CC=C(F)C=C2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211532	1	42	-1.0	-46.61	340.90	7.07	-39.54
COC1=CC=C(OCC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1C	REAL300020211533	0	47	-1.0	-53.67	361.57	6.09	-47.58
COC1=CC=C(OCC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1C	REAL300020211533	1	47	-1.0	-53.69	361.62	6.10	-47.59
O=C(CC1CCSCC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211534	0	43	-1.0	-47.11	327.67	6.03	-41.08
O=C(CC1CCSCC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211534	1	43	-1.0	-47.06	327.73	6.06	-41.00
CCC(OC1CCCCC1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020211535	0	52	-1.0	-50.24	374.89	6.94	-43.30
CCC(OC1CCCCC1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020211535	1	52	-1.0	-50.26	374.95	6.96	-43.30
CCOC(CC(=O)N1CCCCC1CC1=N[N-]N=N1)C(C)C	REAL300020211536	0	48	-1.0	-47.43	345.07	5.95	-41.48
CCOC(CC(=O)N1CCCCC1CC1=NN=N[N-]1)C(C)C	REAL300020211536	1	48	-1.0	-47.83	346.80	5.74	-42.09
O=C(CN1C=C(C2CC2)N=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211537	0	42	-1.0	-60.88	332.86	4.34	-56.54
O=C(CN1C=C(C2CC2)N=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211537	1	42	-1.0	-60.88	332.92	4.35	-56.53
O=C(CCCC1=CC=CC(Br)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211538	0	45	-1.0	-50.58	367.29	8.65	-41.93
O=C(CCCC1=CC=CC(Br)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211538	1	45	-1.0	-50.59	367.34	8.65	-41.94
CCS(=O)(=O)NCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020211539	0	40	-1.0	-59.23	321.04	-0.21	-59.44
CCS(=O)(=O)NCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020211539	1	40	-1.0	-59.23	321.09	-0.20	-59.43
NS(=O)(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020211540	0	45	-1.0	-48.56	367.35	-1.23	-49.79
NS(=O)(=O)C1=CC=C(NC(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020211540	1	45	-1.0	-48.55	367.41	-1.22	-49.77
O=C(CSC1=NC=CC2=CC=CC=C21)N1CCCCC1CC1=NN=N[N-]1	REAL300020211541	0	45	-1.0	-49.12	367.69	7.20	-41.92
O=C(CSC1=NC=CC2=CC=CC=C21)N1CCCCC1CC1=N[N-]N=N1	REAL300020211541	1	45	-1.0	-49.13	367.63	7.19	-41.94
CC1=CC=C(C2=NC(SCC(=O)N3CCCCC3CC3=N[N-]N=N3)=NN2)C=C1	REAL300020211542	0	49	-1.0	-51.26	405.76	7.29	-43.97
CC1=CC=C(C2=NC(SCC(=O)N3CCCCC3CC3=NN=N[N-]3)=NN2)C=C1	REAL300020211542	1	49	-1.0	-51.26	405.83	7.30	-43.96
CC(C)C1=NN=C([N-]C(=O)CCC(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020211543	0	49	-2.0	-93.44	405.35	3.52	-89.92
CC(C)C1=NN=C([N-]C(=O)CCC(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020211543	1	49	-2.0	-93.41	405.42	3.53	-89.88
CC(C)C1=NN=C(NC(=O)CCC(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020211543	1	50	-1.0	-52.42	403.95	5.05	-47.37
CC(C)C1=NN=C(C=CC(=O)N2CCCCC2CC2=N[N-]N=N2)O1	REAL300020211544	0	44	-1.0	-47.86	349.14	1.38	-46.48
CC(C)C1=NN=C(C=CC(=O)N2CCCCC2CC2=NN=N[N-]2)O1	REAL300020211544	1	44	-1.0	-47.85	349.19	1.39	-46.46
CC(C)(C)OC1=CC=CC(CCC(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020211545	0	54	-1.0	-46.20	407.40	7.07	-39.13
CC(C)(C)OC1=CC=CC(CCC(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020211545	1	54	-1.0	-46.25	407.47	7.10	-39.15
CC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C(Br)S1	REAL300020211546	0	36	-1.0	-49.17	308.53	5.82	-43.35
CC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C(Br)S1	REAL300020211546	1	36	-1.0	-49.19	308.56	5.83	-43.36
CSC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C(Cl)C=C1Cl	REAL300020211547	0	40	-1.0	-45.53	346.84	7.28	-38.25
CSC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C(Cl)C=C1Cl	REAL300020211547	1	40	-1.0	-45.52	346.84	7.30	-38.22
O=C(C1=CC=C2SC=CC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211548	0	39	-1.0	-49.34	314.23	6.68	-42.66
O=C(C1=CC=C2SC=CC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211548	1	39	-1.0	-49.39	314.28	6.68	-42.71
CC(OC1CCCCCC1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020211549	0	52	-1.0	-52.66	363.22	7.00	-45.66
CC(OC1CCCCCC1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020211549	1	52	-1.0	-52.71	363.27	7.01	-45.70
CC(=O)NC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC(C(F)(F)F)=C1	REAL300020211550	0	46	-1.0	-52.10	372.09	5.25	-46.85
CC(=O)NC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC(C(F)(F)F)=C1	REAL300020211550	1	46	-1.0	-52.13	372.12	5.25	-46.88
O=C(C1=CC=C(C2CC2)S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211551	0	40	-1.0	-48.62	322.26	6.69	-41.93
O=C(C1=CC=C(C2CC2)S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211551	1	40	-1.0	-48.62	322.31	6.68	-41.94
O=C(CCC1=NN=C(C2CCCC2)O1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211552	0	50	-1.0	-50.56	381.70	2.83	-47.73
O=C(CCC1=NN=C(C2CCCC2)O1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211552	1	50	-1.0	-50.59	381.75	2.83	-47.76
CC1=CC=C(OCCCC(=O)N2CCCCC2CC2=N[N-]N=N2)C(Cl)=C1	REAL300020211553	0	49	-1.0	-53.44	396.77	7.71	-45.73
CC1=CC=C(OCCCC(=O)N2CCCCC2CC2=NN=N[N-]2)C(Cl)=C1	REAL300020211553	1	49	-1.0	-53.43	396.83	7.73	-45.70
O=C(CCCC1=CC=CC=C1Br)N1CCCCC1CC1=N[N-]N=N1	REAL300020211554	0	45	-1.0	-52.33	362.37	8.52	-43.81
O=C(CCCC1=CC=CC=C1Br)N1CCCCC1CC1=NN=N[N-]1	REAL300020211554	1	45	-1.0	-52.29	362.42	8.54	-43.75
CC(CNC(=O)OC(C)(C)C)CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020211555	0	55	-1.0	-46.95	402.33	4.88	-42.07
CC(CNC(=O)OC(C)(C)C)CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020211555	1	55	-1.0	-46.99	402.37	4.88	-42.11
O=C(C1=CC(F)=CC(Cl)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211556	0	36	-1.0	-45.68	300.47	5.91	-39.77
O=C(C1=CC(F)=CC(Cl)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211556	1	36	-1.0	-45.70	300.52	5.92	-39.78
O=C(CC1=CN=C2NC=CC=C12)N1CCCCC1CC1=N[N-]N=N1	REAL300020211557	0	42	-1.0	-67.34	329.44	5.76	-61.58
O=C(CC1=CN=C2NC=CC=C12)N1CCCCC1CC1=NN=N[N-]1	REAL300020211557	1	42	-1.0	-67.35	329.49	5.77	-61.58
COC1=CC=CC(OC)=C1CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020211558	0	47	-1.0	-52.60	359.58	5.23	-47.37
COC1=CC=CC(OC)=C1CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020211558	1	47	-1.0	-52.60	359.63	5.25	-47.35
O=C(CC1=NN(C2=CC=CC=C2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211559	0	46	-1.0	-58.57	364.94	7.35	-51.22
O=C(CC1=NN(C2=CC=CC=C2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211559	1	46	-1.0	-58.55	365.00	7.37	-51.18
O=C(C1=CC=C(Cl)C=C1Br)N1CCCCC1CC1=N[N-]N=N1	REAL300020211560	0	36	-1.0	-45.59	312.53	6.40	-39.19
O=C(C1=CC=C(Cl)C=C1Br)N1CCCCC1CC1=NN=N[N-]1	REAL300020211560	1	36	-1.0	-45.60	312.47	6.42	-39.18
CC1=CC=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1F	REAL300020211561	0	39	-1.0	-54.46	303.30	6.02	-48.44
CC1=CC=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1F	REAL300020211561	1	39	-1.0	-54.50	303.33	6.02	-48.48
CC(C)(C)C1=CC=C(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020211562	0	51	-1.0	-49.16	379.03	8.78	-40.38
CC(C)(C)C1=CC=C(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020211562	1	51	-1.0	-49.17	379.08	8.78	-40.39
CC(C)OC1=CN=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020211563	0	45	-1.0	-48.01	340.35	4.11	-43.90
CC(C)OC1=CN=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020211563	1	45	-1.0	-48.04	340.30	4.10	-43.94
CC1=NN(C)C(C)=C1OCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020211564	0	46	-1.0	-55.61	359.94	5.00	-50.61
CC1=NN(C)C(C)=C1OCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020211564	1	46	-1.0	-55.69	359.99	5.01	-50.68
O=C(C1=CN2C(=NN=C2C(F)F)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211565	0	41	-1.0	-47.68	336.50	6.69	-40.99
O=C(C1=CN2C(=NN=C2C(F)F)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211565	1	41	-1.0	-47.71	336.55	6.69	-41.02
CS(=O)(=O)N1CCN(CC(=O)N2CCCCC2CC2=N[N-]N=N2)CC1	REAL300020211566	0	49	-1.0	-59.75	365.09	0.02	-59.73
CS(=O)(=O)N1CCN(CC(=O)N2CCCCC2CC2=NN=N[N-]2)CC1	REAL300020211566	1	49	-1.0	-59.69	365.12	0.02	-59.67
O=C(C1=CN(C2=CC=CN=C2)N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211567	0	42	-1.0	-50.41	331.07	4.74	-45.67
O=C(C1=CN(C2=CC=CN=C2)N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211567	1	42	-1.0	-50.39	331.04	4.75	-45.64
O=C(CC1=CC2=C(C=CC3=C2C=CC=C3)O1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211568	0	48	-1.0	-55.15	381.40	9.00	-46.15
O=C(CC1=CC2=C(C=CC3=C2C=CC=C3)O1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211568	1	48	-1.0	-55.14	381.47	9.02	-46.12
CC(C)(C)OC(=O)C1=CC=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020211569	0	51	-1.0	-52.50	389.79	8.08	-44.42
CC(C)(C)OC(=O)C1=CC=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020211569	1	51	-1.0	-52.53	389.83	8.09	-44.44
CC1CCCC(OCCCCCC(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020211570	0	61	-1.0	-49.22	448.65	8.90	-40.32
CC1CCCC(OCCCCCC(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020211570	1	61	-1.0	-49.18	448.70	8.91	-40.27
CC(C)(C)OC(=O)NCC(=O)NCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020211571	0	53	-1.0	-46.23	406.43	1.02	-45.21
CC(C)(C)OC(=O)NCC(=O)NCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020211571	1	53	-1.0	-46.21	406.48	1.02	-45.19
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=NN1C1CCOCC1	REAL300020211572	0	50	-1.0	-48.42	377.88	4.81	-43.61
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=NN1C1CCOCC1	REAL300020211572	1	50	-1.0	-48.46	378.02	4.81	-43.65
CC1=CN(C2=CC=CC=C2Cl)N=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020211573	0	46	-1.0	-55.35	362.77	8.23	-47.12
CC1=CN(C2=CC=CC=C2Cl)N=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020211573	1	46	-1.0	-55.35	362.72	8.23	-47.12
O=C(C(O)CCC1=CC=CC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211574	0	46	-1.0	-49.38	352.09	5.35	-44.03
O=C(C(O)CCC1=CC=CC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211574	1	46	-1.0	-49.55	352.23	5.32	-44.23
O=C([C@H](O)C1=CC=CC=C1Cl)N1CCCCC1CC1=N[N-]N=N1	REAL300020211575	0	40	-1.0	-48.10	318.78	3.99	-44.11
O=C([C@H](O)C1=CC=CC=C1Cl)N1CCCCC1CC1=NN=N[N-]1	REAL300020211575	1	40	-1.0	-48.14	318.83	4.00	-44.14
O=C([C@@H](O)C1=CC=CC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211576	0	40	-1.0	-49.05	304.56	3.86	-45.19
O=C([C@@H](O)C1=CC=CC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211576	1	40	-1.0	-49.07	304.61	3.86	-45.21
O=C([C@H](O)C1=CC=CC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211577	0	40	-1.0	-48.07	304.59	3.85	-44.22
O=C([C@H](O)C1=CC=CC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211577	1	40	-1.0	-48.07	304.63	3.86	-44.21
COC1=CC=CC(C(O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020211578	0	44	-1.0	-46.80	334.01	3.13	-43.67
COC1=CC=CC(C(O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020211578	1	44	-1.0	-46.80	334.06	3.15	-43.65
O=C(C1=CC=C([N+](=O)[O-])C(Cl)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211579	0	38	-1.0	-44.07	320.49	6.42	-37.65
O=C(C1=CC=C([N+](=O)[O-])C(Cl)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211579	1	38	-1.0	-44.08	320.52	6.44	-37.64
O=C(C1=NNC(=O)[N-]C1=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020211580	0	34	-2.0	-106.28	277.75	-2.16	-108.44
O=C(C1=NNC(=O)[N-]C1=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020211580	1	34	-2.0	-106.33	277.81	-2.14	-108.47
COC(=O)CC(C)(C)CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020211581	0	47	-1.0	-51.71	339.57	5.90	-45.81
COC(=O)CC(C)(C)CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020211581	1	47	-1.0	-51.76	339.67	5.91	-45.85
CN1C=NC2=CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=CC=C21	REAL300020211582	0	42	-1.0	-56.25	328.55	6.71	-49.54
CN1C=NC2=CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=CC=C21	REAL300020211582	1	42	-1.0	-56.25	328.52	6.69	-49.56
CCN1N=CC=C1C=CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020211583	0	43	-1.0	-48.79	336.15	5.43	-43.36
CCN1N=CC=C1C=CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020211583	1	43	-1.0	-48.81	336.24	5.43	-43.38
O=C(C1=NC(Cl)=CC=C1F)N1CCCCC1CC1=NN=N[N-]1	REAL300020211584	0	35	-1.0	-50.42	294.47	4.93	-45.49
O=C(C1=NC(Cl)=CC=C1F)N1CCCCC1CC1=N[N-]N=N1	REAL300020211584	1	35	-1.0	-50.40	294.41	4.93	-45.47
COC(=O)C1=CC=CC(CC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020211585	0	45	-1.0	-50.47	358.09	7.15	-43.32
COC(=O)C1=CC=CC(CC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020211585	1	45	-1.0	-50.43	358.14	7.17	-43.26
O=C(C1=NNC=C1[N+](=O)[O-])N1CCCCC1CC1=N[N-]N=N1	REAL300020211586	0	35	-1.0	-58.97	282.50	3.65	-55.32
O=C(C1=NNC=C1[N+](=O)[O-])N1CCCCC1CC1=NN=N[N-]1	REAL300020211586	1	35	-1.0	-58.97	282.55	3.66	-55.31
O=C(C1=CC=NC(OC2CCC2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211587	0	46	-1.0	-48.52	355.18	4.61	-43.91
O=C(C1=CC=NC(OC2CCC2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211587	1	46	-1.0	-48.50	355.14	4.61	-43.89
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=NN1CC(C)C	REAL300020211588	0	48	-1.0	-50.16	355.14	5.54	-44.62
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=NN1CC(C)C	REAL300020211588	1	48	-1.0	-50.13	355.17	5.55	-44.58
CSC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1F	REAL300020211589	0	40	-1.0	-46.02	326.07	6.43	-39.59
CSC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1F	REAL300020211589	1	40	-1.0	-46.05	326.11	6.44	-39.61
O=C(C(O)C1=CC(Cl)=CC(Cl)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211590	0	40	-1.0	-46.79	339.07	4.90	-41.89
O=C(C(O)C1=CC(Cl)=CC(Cl)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211590	1	40	-1.0	-46.80	339.15	4.90	-41.90
O=C(C1=CC=CC(Br)=C1[O-])N1CCCCC1CC1=N[N-]N=N1	REAL300020211591	0	36	-2.0	-112.24	304.70	4.80	-107.44
O=C(C1=CC=CC(Br)=C1[O-])N1CCCCC1CC1=NN=N[N-]1	REAL300020211591	1	36	-2.0	-112.36	304.67	4.81	-107.55
O=C(C1=CC=C2N=CNC2=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211592	0	38	-1.0	-52.76	298.79	5.08	-47.68
O=C(C1=CC=C2N=CNC2=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211592	1	38	-1.0	-52.74	298.84	5.09	-47.65
O=C(C1=CC=C2N=CN=C2N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211592	1	38	-1.0	-52.31	297.57	4.07	-48.24
O=C(C1=CC=C2N=CN=C2N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211592	1	38	-1.0	-52.36	297.62	4.07	-48.29
O=C(C1=CC(OCC2=CC=CC=C2)=CC=C1O)N1CCCCC1CC1=N[N-]N=N1	REAL300020211593	0	51	-1.0	-54.85	398.87	6.54	-48.31
O=C(C1=CC(OCC2=CC=CC=C2)=CC=C1O)N1CCCCC1CC1=NN=N[N-]1	REAL300020211593	1	51	-1.0	-54.84	398.87	6.56	-48.28
O=C(C1=CC(OC2=CC=CC=C2)=CC=C1O)N1CCCCC1CC1=N[N-]N=N1	REAL300020211594	0	48	-1.0	-50.01	379.61	5.76	-44.25
O=C(C1=CC(OC2=CC=CC=C2)=CC=C1O)N1CCCCC1CC1=NN=N[N-]1	REAL300020211594	1	48	-1.0	-49.98	379.65	5.78	-44.20
O=C(C1=CC=C2N=S=NC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211595	0	37	-1.0	-48.31	304.12	3.69	-44.62
O=C(C1=CC=C2N=S=NC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211595	1	37	-1.0	-48.34	304.15	3.69	-44.65
NS(=O)(=O)C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C(F)=C1	REAL300020211596	0	41	-1.0	-53.97	337.66	0.32	-53.65
NS(=O)(=O)C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C(F)=C1	REAL300020211596	1	41	-1.0	-53.99	337.63	0.34	-53.65
CN(C)CC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=NO1	REAL300020211597	0	43	-1.0	-48.33	331.35	2.94	-45.39
CN(C)CC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=NO1	REAL300020211597	1	43	-1.0	-48.33	331.40	2.95	-45.38
O=C(CSCC(F)(F)F)N1CCCCC1CC1=N[N-]N=N1	REAL300020211598	0	36	-1.0	-50.31	306.53	5.25	-45.06
O=C(CSCC(F)(F)F)N1CCCCC1CC1=NN=N[N-]1	REAL300020211598	1	36	-1.0	-50.40	306.58	5.26	-45.14
O=C(C1=CN=C(C2=CC=CN=C2)S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211599	0	41	-1.0	-49.30	338.07	4.39	-44.91
O=C(C1=CN=C(C2=CC=CN=C2)S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211599	1	41	-1.0	-49.31	338.02	4.39	-44.92
CC(C)C1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=NO1	REAL300020211600	0	41	-1.0	-47.78	318.82	5.50	-42.28
CC(C)C1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=NO1	REAL300020211600	1	41	-1.0	-47.78	318.88	5.52	-42.26
O=C(COC1=CC=CC=C1Br)N1CCCCC1CC1=N[N-]N=N1	REAL300020211601	0	40	-1.0	-53.96	337.27	6.47	-47.49
O=C(COC1=CC=CC=C1Br)N1CCCCC1CC1=NN=N[N-]1	REAL300020211601	1	40	-1.0	-53.94	337.33	6.49	-47.45
CC1=CC=C(C(C)C(O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020211602	0	49	-1.0	-48.54	359.01	5.49	-43.05
CC1=CC=C(C(C)C(O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020211602	1	49	-1.0	-48.57	359.06	5.50	-43.07
O=C(C1=CC=CC(Br)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211603	0	35	-1.0	-46.99	294.83	5.02	-41.97
O=C(C1=CC=CC(Br)=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211603	1	35	-1.0	-46.99	294.78	4.99	-42.00
O=C(C1=CC=CC([N+](=O)[O-])=C1[O-])N1CCCCC1CC1=N[N-]N=N1	REAL300020211604	0	38	-2.0	-116.61	310.35	5.58	-111.03
O=C(C1=CC=CC([N+](=O)[O-])=C1[O-])N1CCCCC1CC1=NN=N[N-]1	REAL300020211604	1	38	-2.0	-116.74	310.30	5.59	-111.15
O=C(C1=CC(C2=CC=CC=N2)=CC=C1Cl)N1CCCCC1CC1=NN=N[N-]1	REAL300020211605	0	45	-1.0	-54.96	363.13	7.69	-47.27
O=C(C1=CC(C2=CC=CC=N2)=CC=C1Cl)N1CCCCC1CC1=N[N-]N=N1	REAL300020211605	1	45	-1.0	-54.94	363.10	7.69	-47.25
CCOC1=CC(C=CC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1O	REAL300020211606	0	48	-1.0	-51.44	373.99	4.98	-46.46
CCOC1=CC(C=CC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1O	REAL300020211606	1	48	-1.0	-51.44	374.04	5.00	-46.44
O=C(C1=CSC(C2=NC=CC=C2F)=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211607	0	41	-1.0	-54.34	342.19	5.12	-49.22
O=C(C1=CSC(C2=NC=CC=C2F)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211607	1	41	-1.0	-53.77	341.84	5.14	-48.63
CC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C(C)C=C1Br	REAL300020211608	0	42	-1.0	-46.51	337.35	7.24	-39.27
CC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C(C)C=C1Br	REAL300020211608	1	42	-1.0	-46.48	337.41	7.25	-39.23
COC1=CC(C=CC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1F	REAL300020211609	0	44	-1.0	-49.56	347.37	6.30	-43.26
COC1=CC(C=CC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1F	REAL300020211609	1	44	-1.0	-49.59	347.42	6.31	-43.28
O=C(C1=NN(C2=CC=CC=C2[N+](=O)[O-])C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211610	0	45	-1.0	-56.14	366.14	7.75	-48.39
O=C(C1=NN(C2=CC=CC=C2[N+](=O)[O-])C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211610	1	45	-1.0	-56.15	366.12	7.73	-48.42
CC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC(C)=C1F	REAL300020211611	0	42	-1.0	-46.26	327.08	6.71	-39.55
CC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC(C)=C1F	REAL300020211611	1	42	-1.0	-46.31	327.13	6.72	-39.59
CC(C)N1C=CC=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020211612	0	43	-1.0	-42.52	329.49	6.47	-36.05
CC(C)N1C=CC=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020211612	1	43	-1.0	-42.49	329.54	6.50	-35.99
CC1=C(C)NC(=O)C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020211613	0	41	-1.0	-65.45	316.19	3.40	-62.05
CC1=C(C)NC(=O)C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020211613	1	41	-1.0	-65.41	316.22	3.39	-62.02
O=C(CC(O)C1=CC=CC(F)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211614	0	43	-1.0	-53.60	337.61	4.82	-48.78
O=C(CC(O)C1=CC=CC(F)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211614	1	43	-1.0	-53.60	337.66	4.82	-48.78
COC(=O)C1=CN=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020211615	0	40	-1.0	-45.38	323.68	3.20	-42.18
COC(=O)C1=CN=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020211615	1	40	-1.0	-45.35	323.63	3.20	-42.15
CC1(CCC(=O)N2CCCCC2CC2=N[N-]N=N2)CCC(=O)N1	REAL300020211616	0	46	-1.0	-51.59	348.21	3.13	-48.46
CC1(CCC(=O)N2CCCCC2CC2=NN=N[N-]2)CCC(=O)N1	REAL300020211616	1	46	-1.0	-51.58	348.27	3.15	-48.43
O=C(C1=CC=CN2C(=O)NN=C12)N1CCCCC1CC1=N[N-]N=N1	REAL300020211617	0	39	-1.0	-53.08	308.78	3.60	-49.48
O=C(C1=CC=CN2C(=O)NN=C12)N1CCCCC1CC1=NN=N[N-]1	REAL300020211617	1	39	-1.0	-53.14	308.87	3.62	-49.52
CC1=CC=C(Cl)C=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020211618	0	39	-1.0	-40.31	317.25	6.97	-33.34
CC1=CC=C(Cl)C=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020211618	1	39	-1.0	-40.29	317.30	6.97	-33.32
CS(=O)(=O)C1=CC=C(OCC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020211619	0	46	-1.0	-58.68	377.57	3.36	-55.32
CS(=O)(=O)C1=CC=C(OCC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020211619	1	46	-1.0	-58.68	377.63	3.38	-55.30
CC1CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)CCC1=O	REAL300020211620	0	44	-1.0	-53.03	324.81	5.53	-47.50
CC1CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)CCC1=O	REAL300020211620	1	44	-1.0	-53.05	324.87	5.54	-47.51
O=C(C1=CN=C2SCC(=O)NC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211621	0	41	-1.0	-47.06	335.30	2.41	-44.65
O=C(C1=CN=C2SCC(=O)NC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211621	1	41	-1.0	-47.02	335.28	2.42	-44.60
O=C(C1=CN=C2C=CC=CN12)N1CCCCC1CC1=NN=N[N-]1	REAL300020211622	0	39	-1.0	-52.52	300.89	5.71	-46.81
O=C(C1=CN=C2C=CC=CN12)N1CCCCC1CC1=N[N-]N=N1	REAL300020211622	1	39	-1.0	-52.47	300.83	5.71	-46.76
O=C(C1=NC=CN2C(Br)=CN=C12)N1CCCCC1CC1=NN=N[N-]1	REAL300020211623	0	38	-1.0	-55.77	321.15	5.67	-50.10
O=C(C1=NC=CN2C(Br)=CN=C12)N1CCCCC1CC1=N[N-]N=N1	REAL300020211623	1	38	-1.0	-55.78	321.10	5.66	-50.12
CC(C)[C@H]1CC[C@H](C(=O)N2CCCCC2CC2=N[N-]N=N2)CC1	REAL300020211624	0	51	-1.0	-49.14	357.04	7.52	-41.62
CC(C)[C@H]1CC[C@H](C(=O)N2CCCCC2CC2=NN=N[N-]2)CC1	REAL300020211624	1	51	-1.0	-49.16	357.10	7.54	-41.62
O=C(C1=CC2=CC=C(C(F)(F)F)C=C2N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211625	0	43	-1.0	-45.77	349.24	6.75	-39.02
O=C(C1=CC2=CC=C(C(F)(F)F)C=C2N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211625	1	43	-1.0	-45.75	349.29	6.76	-38.99
CC(CC1=CC=C(Br)C=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020211626	0	45	-1.0	-46.33	358.90	8.06	-38.27
CC(CC1=CC=C(Br)C=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020211626	1	45	-1.0	-46.35	358.96	8.09	-38.26
CCC1=CC=C(S(C)(=O)=O)C=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020211627	0	48	-1.0	-52.99	376.28	4.34	-48.65
CCC1=CC=C(S(C)(=O)=O)C=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020211627	1	48	-1.0	-52.98	376.34	4.35	-48.63
CC1=CC(S(C)(=O)=O)=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1C	REAL300020211628	0	48	-1.0	-55.53	378.97	4.60	-50.93
CC1=CC(S(C)(=O)=O)=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1C	REAL300020211628	1	48	-1.0	-55.53	378.99	4.61	-50.92
COCCOC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=NC2=CC=CC=C21	REAL300020211629	0	52	-1.0	-53.49	404.04	6.13	-47.36
COCCOC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=NC2=CC=CC=C21	REAL300020211629	1	52	-1.0	-53.48	403.99	6.13	-47.35
CCN1C=C(C(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020211630	0	41	-1.0	-48.41	322.73	3.97	-44.44
CCN1C=C(C(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020211630	1	41	-1.0	-48.42	322.78	3.99	-44.43
O=C(CCN1C=CC2=CC(Cl)=CC=C21)N1CCCCC1CC1=N[N-]N=N1	REAL300020211631	0	46	-1.0	-45.25	378.73	8.56	-36.69
O=C(CCN1C=CC2=CC(Cl)=CC=C21)N1CCCCC1CC1=NN=N[N-]1	REAL300020211631	1	46	-1.0	-45.26	378.79	8.56	-36.70
CC(=CC1=CC=CC(Cl)=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020211632	0	43	-1.0	-49.21	342.11	7.89	-41.32
CC(=CC1=CC=CC(Cl)=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020211632	1	43	-1.0	-49.27	342.22	7.90	-41.37
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CC1=CC=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1Cl	REAL300020211636	1	39	-1.0	-51.17	310.18	6.37	-44.80
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CC1(CC(=O)N2CCCCC2CC2=NN=N[N-]2)CCCCC1	REAL300020211637	1	48	-1.0	-45.54	327.60	7.05	-38.49
CCC(=O)C1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1F	REAL300020211638	0	44	-1.0	-47.09	347.63	6.73	-40.36
CCC(=O)C1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1F	REAL300020211638	1	44	-1.0	-47.12	347.65	6.73	-40.39
CC1(C)OCC(C)(C(=O)N2CCCCC2CC2=N[N-]N=N2)CO1	REAL300020211639	0	47	-1.0	-47.96	329.89	3.67	-44.29
CC1(C)OCC(C)(C(=O)N2CCCCC2CC2=NN=N[N-]2)CO1	REAL300020211639	1	47	-1.0	-47.95	329.94	3.69	-44.26
CCC(C)(C)C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020211640	0	51	-1.0	-48.78	368.48	8.11	-40.67
CCC(C)(C)C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020211640	1	51	-1.0	-48.77	368.49	8.12	-40.65
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O=C(C1=CC=C(Cl)C(Br)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211641	1	36	-1.0	-46.30	318.39	6.63	-39.67
O=C(C1=C2N=CC(Br)=CN2N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211642	0	38	-1.0	-53.75	323.03	4.86	-48.89
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CS(=O)(=O)C1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CS1	REAL300020211644	0	39	-1.0	-57.69	332.74	1.97	-55.72
CS(=O)(=O)C1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CS1	REAL300020211644	1	39	-1.0	-57.68	332.79	1.98	-55.70
O=C(CCCCC1=CC=C(Cl)C(Cl)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211645	0	48	-1.0	-47.62	404.28	9.43	-38.19
O=C(CCCCC1=CC=C(Cl)C(Cl)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211645	1	48	-1.0	-47.59	404.35	9.45	-38.14
O=C(C1=NC2=CC=CC=C2S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211646	0	38	-1.0	-50.85	311.33	5.77	-45.08
O=C(C1=NC2=CC=CC=C2S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211646	1	38	-1.0	-50.85	311.27	5.77	-45.08
CCOC1=CC=CC=C1C(F)(F)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020211647	0	46	-1.0	-48.52	353.39	6.64	-41.88
CCOC1=CC=CC=C1C(F)(F)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020211647	1	46	-1.0	-48.49	353.42	6.65	-41.84
CC(=O)C1=C(C)NC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1C(C)C	REAL300020211648	0	51	-1.0	-54.02	385.50	6.24	-47.78
CC(=O)C1=C(C)NC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1C(C)C	REAL300020211648	1	51	-1.0	-54.06	385.80	6.26	-47.80
CC1=CN(CC2=CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=NO2)N=C1	REAL300020211649	0	45	-1.0	-56.38	360.36	5.81	-50.57
CC1=CN(CC2=CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=NO2)N=C1	REAL300020211649	1	45	-1.0	-56.44	360.41	5.81	-50.63
CNS(=O)(=O)C1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CO1	REAL300020211650	0	41	-1.0	-53.88	339.01	-0.74	-54.62
CNS(=O)(=O)C1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CO1	REAL300020211650	1	41	-1.0	-52.88	341.75	-0.54	-53.42
CC(C(=O)N1CCCCC1CC1=N[N-]N=N1)C1CCOCC1	REAL300020211651	0	46	-1.0	-48.47	328.36	4.66	-43.81
CC(C(=O)N1CCCCC1CC1=NN=N[N-]1)C1CCOCC1	REAL300020211651	1	46	-1.0	-48.48	328.38	4.66	-43.82
O=C(C1=CC=C(CC2=NN=CN2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211652	0	45	-1.0	-58.45	354.93	7.19	-51.26
O=C(C1=CC=C(CC2=NN=CN2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211652	1	45	-1.0	-58.42	354.93	7.21	-51.21
CC1=CC2=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=NN2C=C1	REAL300020211653	0	42	-1.0	-57.42	332.23	5.81	-51.61
CC1=CC2=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=NN2C=C1	REAL300020211653	1	42	-1.0	-55.16	331.38	6.17	-48.99
O=C(C1=NN(CCO)C(=O)CC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211654	0	44	-1.0	-48.64	341.42	0.63	-48.01
O=C(C1=NN(CCO)C(=O)CC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211654	1	44	-1.0	-48.65	341.47	0.63	-48.02
COC(=O)C1CCC(C(=O)N2CCCCC2CC2=N[N-]N=N2)CC1	REAL300020211655	0	48	-1.0	-49.53	357.69	6.48	-43.05
COC(=O)C1CCC(C(=O)N2CCCCC2CC2=NN=N[N-]2)CC1	REAL300020211655	1	48	-1.0	-49.56	357.73	6.50	-43.06
CC(CN1CCOCC1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020211656	0	48	-1.0	-49.45	347.42	2.56	-46.89
CC(CN1CCOCC1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020211656	1	48	-1.0	-49.47	347.48	2.57	-46.90
CC(C[NH+]1CCOCC1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020211656	1	49	0.0	-55.33	347.61	4.63	-50.70
CC(C[NH+]1CCOCC1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020211656	1	49	0.0	-55.33	347.66	4.64	-50.69
COC(=O)C1=CN=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020211657	0	41	-1.0	-48.85	330.08	4.21	-44.64
COC(=O)C1=CN=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020211657	1	41	-1.0	-48.83	330.05	4.22	-44.61
CN(C)S(=O)(=O)CCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020211658	0	43	-1.0	-50.41	341.19	1.60	-48.81
CN(C)S(=O)(=O)CCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020211658	1	43	-1.0	-50.43	341.24	1.61	-48.82
O=C(CCC(=O)N1CCCCC1CC1=N[N-]N=N1)N1CCC(O)CC1	REAL300020211659	0	50	-1.0	-47.28	377.58	2.05	-45.23
O=C(CCC(=O)N1CCCCC1CC1=NN=N[N-]1)N1CCC(O)CC1	REAL300020211659	1	50	-1.0	-47.27	377.65	2.04	-45.23
CN1C=C([N+](=O)[O-])C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020211660	0	38	-1.0	-60.58	305.37	4.99	-55.59
CN1C=C([N+](=O)[O-])C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020211660	1	38	-1.0	-60.55	305.31	4.98	-55.57
O=C(CCC(=O)N1CCCCC1CC1=N[N-]N=N1)NC1=CC=C2NC(=O)NC2=N1	REAL300020211661	0	49	-1.0	-55.27	394.05	2.77	-52.50
O=C(CCC(=O)N1CCCCC1CC1=NN=N[N-]1)NC1=CC=C2NC(=O)NC2=N1	REAL300020211661	1	49	-1.0	-55.27	394.12	2.78	-52.49
O=C(C1=CC=C(N2C=NC3=CC=CC=C32)N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211662	0	48	-1.0	-51.97	377.00	9.26	-42.71
O=C(C1=CC=C(N2C=NC3=CC=CC=C32)N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211662	1	48	-1.0	-51.93	376.96	9.25	-42.68
CC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C(O)=C1	REAL300020211663	0	40	-1.0	-48.94	309.24	3.88	-45.06
CC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C(O)=C1	REAL300020211663	1	40	-1.0	-48.98	309.20	3.90	-45.08
O=C(C1=CC=C(O)C=C1O)N1CCCCC1CC1=N[N-]N=N1	REAL300020211664	0	38	-1.0	-48.22	298.82	0.37	-47.85
O=C(C1=CC=C(O)C=C1O)N1CCCCC1CC1=NN=N[N-]1	REAL300020211664	1	38	-1.0	-48.11	298.78	0.39	-47.72
O=C(C1=CC(F)=CC=C1O)N1CCCCC1CC1=N[N-]N=N1	REAL300020211665	0	37	-1.0	-46.62	294.08	3.33	-43.29
O=C(C1=CC(F)=CC=C1O)N1CCCCC1CC1=NN=N[N-]1	REAL300020211665	1	37	-1.0	-46.56	294.08	3.33	-43.23
O=C(C1=CC([N+](=O)[O-])=CC=C1[O-])N1CCCCC1CC1=N[N-]N=N1	REAL300020211666	0	38	-2.0	-103.17	312.25	4.86	-98.31
O=C(C1=CC([N+](=O)[O-])=CC=C1[O-])N1CCCCC1CC1=NN=N[N-]1	REAL300020211666	1	38	-2.0	-103.25	312.24	4.87	-98.38
O=C(C1=CC=C(Br)C=C1O)N1CCCCC1CC1=N[N-]N=N1	REAL300020211667	0	37	-1.0	-45.50	309.11	3.84	-41.66
O=C(C1=CC=C(Br)C=C1O)N1CCCCC1CC1=NN=N[N-]1	REAL300020211667	1	37	-1.0	-45.47	309.08	3.86	-41.61
O=C(C1=CC=C(Br)C=C1[O-])N1CCCCC1CC1=N[N-]N=N1	REAL300020211667	1	36	-2.0	-112.54	305.54	4.78	-107.76
O=C(C1=CC=C(Br)C=C1[O-])N1CCCCC1CC1=NN=N[N-]1	REAL300020211667	1	36	-2.0	-112.62	305.51	4.80	-107.82
O=C(C1=CC2=C(C=C1O)OCO2)N1CCCCC1CC1=N[N-]N=N1	REAL300020211668	0	40	-1.0	-47.78	311.84	1.84	-45.94
O=C(C1=CC2=C(C=C1O)OCO2)N1CCCCC1CC1=NN=N[N-]1	REAL300020211668	1	40	-1.0	-47.82	311.90	1.85	-45.97
CCC1=CC=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1O	REAL300020211669	0	43	-1.0	-49.14	329.64	4.66	-44.48
CCC1=CC=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1O	REAL300020211669	1	43	-1.0	-49.06	329.60	4.68	-44.38
O=C(C1=C([O-])C2=CC=CC=C2C(Cl)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211670	0	42	-2.0	-115.72	343.21	6.96	-108.76
O=C(C1=C([O-])C2=CC=CC=C2C(Cl)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211670	1	42	-2.0	-115.76	343.22	6.99	-108.77
O=C(C1=C(O)C2=CC=CC=C2C(Cl)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211670	1	43	-1.0	-47.66	346.76	6.01	-41.65
O=C(C1=C(O)C2=CC=CC=C2C(Cl)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211670	1	43	-1.0	-47.61	346.77	6.04	-41.57
CC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C(O)=C1O	REAL300020211671	0	41	-1.0	-55.29	318.42	1.76	-53.53
CC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C(O)=C1O	REAL300020211671	1	41	-1.0	-55.37	318.41	1.78	-53.59
CC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C(O)=C1C	REAL300020211672	0	43	-1.0	-53.32	324.67	4.52	-48.80
CC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C(O)=C1C	REAL300020211672	1	43	-1.0	-53.29	324.67	4.54	-48.75
CC(C)C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C(O)=C1	REAL300020211673	0	46	-1.0	-48.30	347.99	5.12	-43.18
CC(C)C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C(O)=C1	REAL300020211673	1	46	-1.0	-48.31	347.95	5.15	-43.16
CC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C(Br)=N1	REAL300020211674	0	38	-1.0	-49.59	312.44	4.66	-44.93
CC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C(Br)=N1	REAL300020211674	1	38	-1.0	-49.59	312.43	4.68	-44.91
CCCCS(=O)(=O)NCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020211675	0	46	-1.0	-58.86	364.04	1.37	-57.49
CCCCS(=O)(=O)NCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020211675	1	46	-1.0	-58.89	364.09	1.38	-57.51
O=C(C1=CC=C(N2C=CN=N2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211676	0	42	-1.0	-54.31	330.94	5.17	-49.14
O=C(C1=CC=C(N2C=CN=N2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211676	1	42	-1.0	-54.32	330.90	5.16	-49.16
C=CC(CC(=O)N1CCCCC1CC1=N[N-]N=N1)C1=CC=CC=C1	REAL300020211677	0	46	-1.0	-46.40	357.26	7.90	-38.50
C=CC(CC(=O)N1CCCCC1CC1=NN=N[N-]1)C1=CC=CC=C1	REAL300020211677	1	46	-1.0	-46.42	357.33	7.92	-38.50
COC(=O)C1=CC=CC=C1CCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020211678	0	48	-1.0	-51.49	374.92	7.42	-44.07
COC(=O)C1=CC=CC=C1CCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020211678	1	48	-1.0	-51.48	374.98	7.42	-44.06
CC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C(Br)=C1	REAL300020211679	0	39	-1.0	-48.83	317.02	6.59	-42.24
CC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C(Br)=C1	REAL300020211679	1	39	-1.0	-48.77	317.02	6.61	-42.16
O=C(C1=C(O)C=CC=C1Cl)N1CCCCC1CC1=N[N-]N=N1	REAL300020211680	0	37	-1.0	-51.35	313.01	2.96	-48.39
O=C(C1=C(O)C=CC=C1Cl)N1CCCCC1CC1=NN=N[N-]1	REAL300020211680	1	37	-1.0	-51.35	313.08	2.97	-48.38
O=C(C1=C([O-])C=CC=C1Cl)N1CCCCC1CC1=N[N-]N=N1	REAL300020211680	1	36	-2.0	-120.50	305.85	4.04	-116.46
O=C(C1=C([O-])C=CC=C1Cl)N1CCCCC1CC1=NN=N[N-]1	REAL300020211680	1	36	-2.0	-120.56	305.91	4.06	-116.50
CCC1=CC=C(O)C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020211681	0	43	-1.0	-49.04	330.54	4.70	-44.34
CCC1=CC=C(O)C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020211681	1	43	-1.0	-48.99	330.54	4.72	-44.27
CC(C)C1=CC=C(O)C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020211682	0	46	-1.0	-48.62	347.81	5.15	-43.47
CC(C)C1=CC=C(O)C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020211682	1	46	-1.0	-48.60	347.81	5.19	-43.41
O=C(C1=CC(CCC2=CC=CC=C2)=CC=C1O)N1CCCCC1CC1=N[N-]N=N1	REAL300020211683	0	53	-1.0	-49.74	411.96	8.49	-41.25
O=C(C1=CC(CCC2=CC=CC=C2)=CC=C1O)N1CCCCC1CC1=NN=N[N-]1	REAL300020211683	1	53	-1.0	-49.74	411.96	8.51	-41.23
O=C(C1=CC(CC2=CC=CC=C2)=CC=C1O)N1CCCCC1CC1=N[N-]N=N1	REAL300020211684	0	50	-1.0	-51.50	390.45	7.71	-43.79
O=C(C1=CC(CC2=CC=CC=C2)=CC=C1O)N1CCCCC1CC1=NN=N[N-]1	REAL300020211684	1	50	-1.0	-51.51	390.43	7.72	-43.79
COC1=CC(C)=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1O	REAL300020211685	0	44	-1.0	-51.21	338.26	3.76	-47.45
COC1=CC(C)=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1O	REAL300020211685	1	44	-1.0	-51.18	338.25	3.78	-47.40
O=C(C1=NN(C2=CC=C(Cl)C=C2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211686	0	43	-1.0	-51.24	353.98	7.66	-43.58
O=C(C1=NN(C2=CC=C(Cl)C=C2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211686	1	43	-1.0	-51.26	353.93	7.66	-43.60
N#CC1=CC=C(NCC(=O)N2CCCCC2CC2=NN=N[N-]2)N=C1	REAL300020211687	0	41	-1.0	-49.91	331.26	4.19	-45.72
N#CC1=CC=C(NCC(=O)N2CCCCC2CC2=N[N-]N=N2)N=C1	REAL300020211687	1	41	-1.0	-49.93	331.21	4.19	-45.74
O=C(C1=CC=CC(C2OCCO2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211688	0	45	-1.0	-51.66	347.27	5.04	-46.62
O=C(C1=CC=CC(C2OCCO2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211688	1	45	-1.0	-51.64	347.31	5.04	-46.60
CN1C(=O)C=CC=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020211689	0	39	-1.0	-49.13	298.79	3.90	-45.23
CN1C(=O)C=CC=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020211689	1	39	-1.0	-49.15	298.75	3.90	-45.25
C[N@H+](CC(=O)N1CCCCC1CC1=NN=N[N-]1)C1CCSC1	REAL300020211690	0	46	0.0	-56.73	338.24	6.44	-50.29
C[N@@H+](CC(=O)N1CCCCC1CC1=NN=N[N-]1)C1CCSC1	REAL300020211690	1	46	0.0	-56.91	336.86	6.47	-50.44
CN(CC(=O)N1CCCCC1CC1=N[N-]N=N1)C1CCSC1	REAL300020211690	1	45	-1.0	-45.73	331.50	4.19	-41.54
CN(CC(=O)N1CCCCC1CC1=NN=N[N-]1)C1CCSC1	REAL300020211690	1	45	-1.0	-45.72	331.54	4.22	-41.50
CCOC(=O)C1=C2N=CC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)N2N=C1	REAL300020211691	0	47	-1.0	-48.63	373.10	6.37	-42.26
CCOC(=O)C1=C2N=CC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)N2N=C1	REAL300020211691	1	47	-1.0	-48.65	373.05	6.36	-42.29
NC(=O)C1=C2N=CC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)N2N=C1	REAL300020211692	0	42	-1.0	-53.71	331.63	1.50	-52.21
NC(=O)C1=C2N=CC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)N2N=C1	REAL300020211692	1	42	-1.0	-53.71	331.56	1.49	-52.22
NS(=O)(=O)C1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CO1	REAL300020211693	0	38	-1.0	-52.58	315.23	-1.48	-54.06
NS(=O)(=O)C1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CO1	REAL300020211693	1	38	-1.0	-52.60	315.22	-1.48	-54.08
O=C(C1=NN(C2=CC=CC=C2)C=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211694	0	42	-1.0	-59.73	331.83	7.98	-51.75
O=C(C1=NN(C2=CC=CC=C2)C=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211694	1	42	-1.0	-59.76	331.77	7.98	-51.78
O=C(CN(CC1=CC=CC=C1)C1=CC=CC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211695	0	54	-1.0	-50.78	409.55	9.86	-40.92
O=C(CN(CC1=CC=CC=C1)C1=CC=CC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211695	1	54	-1.0	-50.79	409.60	9.87	-40.92
CC1=CN2C(C(=O)N3CCCCC3CC3=NN=N[N-]3)=CN=C2C=C1	REAL300020211696	0	42	-1.0	-53.18	322.31	6.36	-46.82
CC1=CN2C(C(=O)N3CCCCC3CC3=N[N-]N=N3)=CN=C2C=C1	REAL300020211696	1	42	-1.0	-53.17	322.25	6.36	-46.81
COC(=O)C1=CC=CC=C1CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020211697	0	45	-1.0	-50.67	355.22	6.45	-44.22
COC(=O)C1=CC=CC=C1CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020211697	1	45	-1.0	-50.67	355.28	6.48	-44.19
CN(C)C1=CN=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020211698	0	42	-1.0	-51.53	322.73	4.19	-47.34
CN(C)C1=CN=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020211698	1	42	-1.0	-51.53	322.67	4.18	-47.35
CN1C=NN(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C1=O	REAL300020211699	0	39	-1.0	-58.82	316.53	4.47	-54.35
CN1C=NN(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C1=O	REAL300020211699	1	39	-1.0	-58.78	316.59	4.49	-54.29
O=C(C1=CC=NC(Cl)=C1F)N1CCCCC1CC1=NN=N[N-]1	REAL300020211700	0	35	-1.0	-50.53	294.41	4.06	-46.47
O=C(C1=CC=NC(Cl)=C1F)N1CCCCC1CC1=N[N-]N=N1	REAL300020211700	1	35	-1.0	-50.53	294.38	4.07	-46.46
CC(OC1=CC=CC(CO)=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020211701	0	47	-1.0	-57.35	358.64	3.75	-53.60
CC(OC1=CC=CC(CO)=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020211701	1	47	-1.0	-57.37	358.69	3.76	-53.61
CC1=CC=C(CC2=NC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=CS2)C=C1	REAL300020211702	0	48	-1.0	-51.48	387.69	8.35	-43.13
CC1=CC=C(CC2=NC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=CS2)C=C1	REAL300020211702	1	48	-1.0	-51.51	387.74	8.36	-43.15
CC1=CC=CC=C1C(F)(F)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020211703	0	42	-1.0	-46.99	324.09	6.82	-40.17
CC1=CC=CC=C1C(F)(F)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020211703	1	42	-1.0	-46.96	324.14	6.83	-40.13
CC(C(=O)N1CCCCC1CC1=N[N-]N=N1)C1=CC=C(Br)C=C1	REAL300020211704	0	42	-1.0	-48.27	336.96	7.45	-40.82
CC(C(=O)N1CCCCC1CC1=NN=N[N-]1)C1=CC=C(Br)C=C1	REAL300020211704	1	42	-1.0	-48.33	337.01	7.45	-40.88
CC(C)C1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=NN1C1=CC=CC=C1	REAL300020211705	0	52	-1.0	-53.82	393.23	8.69	-45.13
CC(C)C1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=NN1C1=CC=CC=C1	REAL300020211705	1	52	-1.0	-53.80	393.29	8.70	-45.10
CSCC1=NOC(CCC(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020211706	0	44	-1.0	-47.74	360.52	3.91	-43.83
CSCC1=NOC(CCC(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020211706	1	44	-1.0	-47.78	360.57	3.91	-43.87
CCCN1C=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)N=N1	REAL300020211707	0	41	-1.0	-47.35	319.91	3.92	-43.43
CCCN1C=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)N=N1	REAL300020211707	1	41	-1.0	-47.33	319.85	3.90	-43.43
O=C(CN1C=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1)NC1CCCC1	REAL300020211708	0	53	-1.0	-60.69	404.59	4.73	-55.96
O=C(CN1C=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1)NC1CCCC1	REAL300020211708	1	53	-1.0	-60.71	404.58	4.73	-55.98
O=C(C1OCCC2=CC=CC=C21)N1CCCCC1CC1=N[N-]N=N1	REAL300020211709	0	44	-1.0	-53.08	326.22	6.37	-46.71
O=C(C1OCCC2=CC=CC=C21)N1CCCCC1CC1=NN=N[N-]1	REAL300020211709	1	44	-1.0	-53.09	326.27	6.39	-46.70
O=C(C1=CC(C2=CC=C3OCCC3=C2)=NO1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211710	0	47	-1.0	-46.75	370.52	6.43	-40.32
O=C(C1=CC(C2=CC=C3OCCC3=C2)=NO1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211710	1	47	-1.0	-46.75	370.47	6.42	-40.33
CNC(=O)COC1=CC=CC(CC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020211711	0	50	-1.0	-57.95	393.29	5.35	-52.60
CNC(=O)COC1=CC=CC(CC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020211711	1	50	-1.0	-57.96	393.35	5.36	-52.60
CC1=CC(F)=CC=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020211712	0	39	-1.0	-38.19	307.02	6.53	-31.66
CC1=CC(F)=CC=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020211712	1	39	-1.0	-38.17	307.08	6.54	-31.63
CS(=O)(=O)C1=CC=C(F)C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020211713	0	42	-1.0	-54.59	343.99	2.93	-51.66
CS(=O)(=O)C1=CC=C(F)C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020211713	1	42	-1.0	-54.58	343.99	2.93	-51.65
CC1(CCCC(=O)N2CCCCC2CC2=N[N-]N=N2)NC(=O)NC1=O	REAL300020211714	0	47	-1.0	-59.08	358.83	0.86	-58.22
CC1(CCCC(=O)N2CCCCC2CC2=NN=N[N-]2)NC(=O)NC1=O	REAL300020211714	1	47	-1.0	-59.07	358.87	0.88	-58.19
CC(C)OC1=CC=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020211715	0	45	-1.0	-48.61	342.91	5.13	-43.48
CC(C)OC1=CC=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020211715	1	45	-1.0	-48.58	342.86	5.11	-43.47
COC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1C1=CC=CC=N1	REAL300020211716	0	49	-1.0	-52.08	381.01	7.25	-44.83
COC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1C1=CC=CC=N1	REAL300020211716	1	49	-1.0	-52.10	380.98	7.23	-44.87
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=CC=C1C1=CC=CC=N1	REAL300020211717	0	48	-1.0	-49.20	367.10	8.82	-40.38
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=CC=C1C1=CC=CC=N1	REAL300020211717	1	48	-1.0	-49.22	367.15	8.83	-40.39
O=C(C1=CC2=CC=CC=C2C(Cl)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211718	0	41	-1.0	-50.40	334.45	7.04	-43.36
O=C(C1=CC2=CC=CC=C2C(Cl)=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211718	1	41	-1.0	-50.39	334.39	7.02	-43.37
O=C(CC1=CC(Br)=CC=C1F)N1CCCCC1CC1=N[N-]N=N1	REAL300020211719	0	39	-1.0	-47.51	330.02	7.15	-40.36
O=C(CC1=CC(Br)=CC=C1F)N1CCCCC1CC1=NN=N[N-]1	REAL300020211719	1	39	-1.0	-47.49	330.07	7.17	-40.32
O=C(CC1=CC(Cl)=CC=C1Br)N1CCCCC1CC1=N[N-]N=N1	REAL300020211720	0	39	-1.0	-46.45	338.22	7.51	-38.94
O=C(CC1=CC(Cl)=CC=C1Br)N1CCCCC1CC1=NN=N[N-]1	REAL300020211720	1	39	-1.0	-46.50	338.26	7.53	-38.97
O=C(CC1=CC(F)=CC=C1Br)N1CCCCC1CC1=N[N-]N=N1	REAL300020211721	0	39	-1.0	-47.35	327.89	7.07	-40.28
O=C(CC1=CC(F)=CC=C1Br)N1CCCCC1CC1=NN=N[N-]1	REAL300020211721	1	39	-1.0	-47.36	327.94	7.09	-40.27
CC(C)C1=NNC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1[N+](=O)[O-]	REAL300020211722	0	44	-1.0	-49.97	354.11	4.88	-45.09
CC(C)C1=NNC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1[N+](=O)[O-]	REAL300020211722	1	44	-1.0	-49.98	354.17	4.89	-45.09
CC(C)C1=C([N+](=O)[O-])C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=NN1	REAL300020211722	1	44	-1.0	-59.75	352.16	5.23	-54.52
CC(C)C1=C([N+](=O)[O-])C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=NN1	REAL300020211722	1	44	-1.0	-59.74	352.21	5.25	-54.49
O=C(CSC1=CC=CC(Br)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211723	0	40	-1.0	-49.53	342.91	7.56	-41.97
O=C(CSC1=CC=CC(Br)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211723	1	40	-1.0	-49.54	342.96	7.56	-41.98
O=C(C1CCCC2=C1C=CS2)N1CCCCC1CC1=N[N-]N=N1	REAL300020211724	0	43	-1.0	-47.73	324.07	6.79	-40.94
O=C(C1CCCC2=C1C=CS2)N1CCCCC1CC1=NN=N[N-]1	REAL300020211724	1	43	-1.0	-47.75	324.08	6.80	-40.95
O=C(C1CCN2C=NC=C2C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211725	0	43	-1.0	-50.82	320.71	6.41	-44.41
O=C(C1CCN2C=NC=C2C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211725	1	43	-1.0	-50.80	320.76	6.42	-44.38
CN(C)C(=O)NC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C(Cl)=C1	REAL300020211726	0	48	-1.0	-56.87	382.05	5.64	-51.23
CN(C)C(=O)NC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C(Cl)=C1	REAL300020211726	1	48	-1.0	-56.90	382.09	5.64	-51.26
CC(C)C1=NC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020211727	0	41	-1.0	-49.22	325.74	4.66	-44.56
CC(C)C1=NC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020211727	1	41	-1.0	-49.20	325.79	4.65	-44.55
O=C(C1=CC2=NC=CN2C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211728	0	39	-1.0	-52.49	306.71	5.96	-46.53
O=C(C1=CC2=NC=CN2C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211728	1	39	-1.0	-52.47	306.72	5.97	-46.50
CC(=O)C(C)(C)CCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020211729	0	46	-1.0	-59.23	339.23	5.67	-53.56
CC(=O)C(C)(C)CCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020211729	1	46	-1.0	-59.25	339.29	5.68	-53.57
COCCOC1=CC=CC(CC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020211730	0	50	-1.0	-51.65	388.26	5.98	-45.67
COCCOC1=CC=CC(CC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020211730	1	50	-1.0	-51.66	388.31	6.01	-45.65
CC1=CC=C(C(O)(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C(F)(F)F)O1	REAL300020211731	0	46	-1.0	-44.62	373.02	4.48	-40.14
CC1=CC=C(C(O)(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C(F)(F)F)O1	REAL300020211731	1	46	-1.0	-44.65	373.09	4.49	-40.16
CCCCN1N=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1C	REAL300020211732	0	48	-1.0	-49.82	363.74	6.01	-43.81
CCCCN1N=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1C	REAL300020211732	1	48	-1.0	-49.82	363.78	6.01	-43.81
O=C(C1=CC=C(Cl)C(C(F)(F)F)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211733	0	39	-1.0	-44.87	331.85	6.79	-38.08
O=C(C1=CC=C(Cl)C(C(F)(F)F)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211733	1	39	-1.0	-44.88	331.88	6.80	-38.08
CC1=C(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C=CC=C1[N+](=O)[O-]	REAL300020211734	0	44	-1.0	-52.12	346.08	7.16	-44.96
CC1=C(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C=CC=C1[N+](=O)[O-]	REAL300020211734	1	44	-1.0	-52.14	346.15	7.16	-44.98
CC1=NC2=CC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2C=C1	REAL300020211735	0	44	-1.0	-50.52	342.71	6.37	-44.15
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CC(C)COC1=CC=CC(OCC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020211736	0	53	-1.0	-56.34	404.96	7.78	-48.56
CC(C)COC1=CC=CC(OCC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020211736	1	53	-1.0	-56.36	405.01	7.78	-48.58
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CC(CSCC1=CC=CC=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020211748	0	49	-1.0	-47.66	384.31	8.83	-38.83
CC(CSCC1=CC=CC=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020211748	1	49	-1.0	-47.65	384.33	8.84	-38.81
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CC(C(=O)N1CCCCC1CC1=NN=N[N-]1)N1C=NC2=CC=CC=C21	REAL300020211752	1	45	-1.0	-55.18	342.32	7.24	-47.94
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CC1=NC(Cl)=CC=C1CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020211754	0	41	-1.0	-50.60	331.34	5.54	-45.06
CC1=NC(Cl)=CC=C1CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020211754	1	41	-1.0	-50.60	331.37	5.56	-45.04
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CC1(C)CCC(CC(=O)N2CCCCC2CC2=N[N-]N=N2)CC1	REAL300020211761	0	51	-1.0	-49.35	357.09	7.64	-41.71
CC1(C)CCC(CC(=O)N2CCCCC2CC2=NN=N[N-]2)CC1	REAL300020211761	1	51	-1.0	-49.32	357.14	7.66	-41.66
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COC1=CC2=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C(C3CC3)N=C2C=C1	REAL300020211764	0	52	-1.0	-48.11	400.95	7.51	-40.60
COC1=CC2=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C(C3CC3)N=C2C=C1	REAL300020211764	1	52	-1.0	-48.10	401.00	7.53	-40.57
CC(=O)C1=CC=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020211765	0	41	-1.0	-56.79	322.89	5.85	-50.94
CC(=O)C1=CC=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020211765	1	41	-1.0	-56.87	322.93	5.87	-51.00
O=C(CC1=CSC2=NC=CN12)N1CCCCC1CC1=NN=N[N-]1	REAL300020211766	0	39	-1.0	-49.61	320.10	6.07	-43.54
O=C(CC1=CSC2=NC=CN12)N1CCCCC1CC1=N[N-]N=N1	REAL300020211766	1	39	-1.0	-49.62	320.05	6.06	-43.56
CC(C)(C)OC(=O)N1CCOC(C(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020211767	0	54	-1.0	-48.31	400.96	4.72	-43.59
CC(C)(C)OC(=O)N1CCOC(C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020211767	1	54	-1.0	-48.31	401.03	4.74	-43.57
CN1C(=O)NC2=CC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C21	REAL300020211768	0	43	-1.0	-50.26	340.29	4.42	-45.84
CN1C(=O)NC2=CC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C21	REAL300020211768	1	43	-1.0	-50.24	340.34	4.43	-45.81
CC1=NN=C2CCC(C(=O)N3CCCCC3CC3=N[N-]N=N3)CN12	REAL300020211769	0	45	-1.0	-48.63	335.19	6.10	-42.53
CC1=NN=C2CCC(C(=O)N3CCCCC3CC3=NN=N[N-]3)CN12	REAL300020211769	1	45	-1.0	-48.62	335.25	6.12	-42.50
CC(C)CC1=CC=C(C=CC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020211770	0	52	-1.0	-49.40	393.16	9.61	-39.79
CC(C)CC1=CC=C(C=CC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020211770	1	52	-1.0	-49.36	393.21	9.61	-39.75
CCSC1=CC=C(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020211771	0	46	-1.0	-48.41	364.51	8.32	-40.09
CCSC1=CC=C(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020211771	1	46	-1.0	-48.39	364.56	8.32	-40.07
O=C(CC1=CC=C(Br)C(F)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211772	0	39	-1.0	-50.80	330.28	7.16	-43.64
O=C(CC1=CC=C(Br)C(F)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211772	1	39	-1.0	-50.80	330.33	7.18	-43.62
CC1=CC(Cl)=CC=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020211773	0	39	-1.0	-38.09	317.36	6.98	-31.11
CC1=CC(Cl)=CC=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020211773	1	39	-1.0	-38.13	317.42	6.99	-31.14
CC(C)(C)OC(=O)N1CCOC(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020211774	0	57	-1.0	-52.96	420.37	5.80	-47.16
CC(C)(C)OC(=O)N1CCOC(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020211774	1	57	-1.0	-52.98	420.43	5.82	-47.16
O=C(C1=CC=C(C2=CC=CO2)S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211775	0	40	-1.0	-51.35	332.02	6.54	-44.81
O=C(C1=CC=C(C2=CC=CO2)S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211775	1	40	-1.0	-51.40	332.07	6.55	-44.85
O=C(CCCOC1=CC=C2OCOC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211776	0	49	-1.0	-54.54	385.40	5.14	-49.40
O=C(CCCOC1=CC=C2OCOC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211776	1	49	-1.0	-54.50	385.47	5.15	-49.35
CC1=CC(C(C)(C)C)=CC=C1OCCCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020211777	0	61	-1.0	-50.74	455.58	9.57	-41.17
CC1=CC(C(C)(C)C)=CC=C1OCCCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020211777	1	61	-1.0	-50.72	455.64	9.58	-41.14
O=C(CCCOC1=CC=C2CCCC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211778	0	53	-1.0	-52.04	404.87	8.40	-43.64
O=C(CCCOC1=CC=C2CCCC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211778	1	53	-1.0	-52.02	404.93	8.41	-43.61
CC(C)(C)C1CCC(=CC(=O)N2CCCCC2CC2=N[N-]N=N2)CC1	REAL300020211779	0	55	-1.0	-48.73	380.81	8.61	-40.12
CC(C)(C)C1CCC(=CC(=O)N2CCCCC2CC2=NN=N[N-]2)CC1	REAL300020211779	1	55	-1.0	-48.73	380.86	8.63	-40.10
COC1=CC=CC(C2=NNC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=C2)=C1	REAL300020211780	0	47	-1.0	-50.16	368.04	5.13	-45.03
COC1=CC=CC(C2=NNC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=C2)=C1	REAL300020211780	1	47	-1.0	-50.16	368.12	5.12	-45.04
CC(C)CC1=CC=C(CCC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020211781	0	54	-1.0	-48.64	405.82	9.99	-38.65
CC(C)CC1=CC=C(CCC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020211781	1	54	-1.0	-48.66	405.87	10.00	-38.66
CC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=NC(C2=CC=C(Cl)C=C2)=N1	REAL300020211782	0	47	-1.0	-47.23	384.37	8.55	-38.68
CC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=NC(C2=CC=C(Cl)C=C2)=N1	REAL300020211782	1	47	-1.0	-47.20	384.32	8.53	-38.67
CC(CC(=O)N1CCCCC1CC1=N[N-]N=N1)C1=CC=C(F)C=C1F	REAL300020211783	0	45	-1.0	-49.19	354.21	7.38	-41.81
CC(CC(=O)N1CCCCC1CC1=NN=N[N-]1)C1=CC=C(F)C=C1F	REAL300020211783	1	45	-1.0	-49.18	354.27	7.41	-41.77
O=C(CSCC1=CSC=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211784	0	39	-1.0	-53.21	332.34	4.87	-48.34
O=C(CSCC1=CSC=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211784	1	39	-1.0	-53.16	332.38	4.89	-48.27
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C2=CC(Cl)=CC=C2N1	REAL300020211785	0	43	-1.0	-59.53	352.68	6.71	-52.82
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C2=CC(Cl)=CC=C2N1	REAL300020211785	1	43	-1.0	-59.54	352.74	6.71	-52.83
CS(=O)(=O)NC1=CC=C(O)C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020211786	0	45	-1.0	-52.82	361.04	-0.03	-52.85
CS(=O)(=O)NC1=CC=C(O)C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020211786	1	45	-1.0	-52.87	361.04	0.00	-52.87
O=C(C1=CC2=C(C=C1O)CCCC2)N1CCCCC1CC1=N[N-]N=N1	REAL300020211787	0	47	-1.0	-51.51	348.70	5.69	-45.82
O=C(C1=CC2=C(C=C1O)CCCC2)N1CCCCC1CC1=NN=N[N-]1	REAL300020211787	1	47	-1.0	-51.54	348.74	5.70	-45.84
O=C(C=CC(=O)N1CCCCC1CC1=N[N-]N=N1)NC1=CC2=CNN=C2C=C1	REAL300020211788	0	47	-1.0	-53.01	375.89	4.01	-49.00
O=C(C=CC(=O)N1CCCCC1CC1=NN=N[N-]1)NC1=CC2=CNN=C2C=C1	REAL300020211788	1	47	-1.0	-53.09	375.95	4.02	-49.07
O=C(N1CCCCC1CC1=N[N-]N=N1)C(F)(F)C1(O)CCC1	REAL300020211789	0	40	-1.0	-50.32	297.27	1.81	-48.51
O=C(N1CCCCC1CC1=NN=N[N-]1)C(F)(F)C1(O)CCC1	REAL300020211789	1	40	-1.0	-50.32	297.32	1.82	-48.50
O=C(C1=CC(Cl)=NC(C(F)(F)F)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211790	0	38	-1.0	-43.95	328.89	5.04	-38.91
O=C(C1=CC(Cl)=NC(C(F)(F)F)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211790	1	38	-1.0	-43.97	328.85	5.04	-38.93
CC(CCC(=O)N1CCCCC1CC1=N[N-]N=N1)C1=CC=CC=C1	REAL300020211791	0	48	-1.0	-49.66	360.27	8.40	-41.26
CC(CCC(=O)N1CCCCC1CC1=NN=N[N-]1)C1=CC=CC=C1	REAL300020211791	1	48	-1.0	-49.64	360.32	8.40	-41.24
O=C(C1=CC=C(CCC(F)(F)F)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211792	0	45	-1.0	-49.23	360.67	7.92	-41.31
O=C(C1=CC=C(CCC(F)(F)F)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211792	1	45	-1.0	-49.18	360.67	7.94	-41.24
CC(C)(C)OC(=O)N(CC(=O)N1CCCCC1CC1=N[N-]N=N1)C1CC1	REAL300020211793	0	53	-1.0	-50.40	397.84	6.97	-43.43
CC(C)(C)OC(=O)N(CC(=O)N1CCCCC1CC1=NN=N[N-]1)C1CC1	REAL300020211793	1	53	-1.0	-50.38	397.89	6.99	-43.39
CCC(CC(=O)N1CCCCC1CC1=N[N-]N=N1)C1=CC=C(OC)C=C1	REAL300020211794	0	52	-1.0	-51.55	389.99	7.27	-44.28
CCC(CC(=O)N1CCCCC1CC1=NN=N[N-]1)C1=CC=C(OC)C=C1	REAL300020211794	1	52	-1.0	-51.50	390.05	7.27	-44.23
O=C(C1=CC=CC2=C1OC(=O)N2)N1CCCCC1CC1=N[N-]N=N1	REAL300020211795	0	39	-1.0	-59.69	310.06	2.87	-56.82
O=C(C1=CC=CC2=C1OC(=O)N2)N1CCCCC1CC1=NN=N[N-]1	REAL300020211795	1	39	-1.0	-59.70	310.06	2.88	-56.82
CC(C)(C)C1CCC(CC(=O)N2CCCCC2CC2=N[N-]N=N2)CC1	REAL300020211796	0	57	-1.0	-47.02	396.35	8.32	-38.70
CC(C)(C)C1CCC(CC(=O)N2CCCCC2CC2=NN=N[N-]2)CC1	REAL300020211796	1	57	-1.0	-47.01	396.41	8.32	-38.69
CC1=CC=C(F)C(OCC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020211797	0	43	-1.0	-55.86	344.48	6.55	-49.31
CC1=CC=C(F)C(OCC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020211797	1	43	-1.0	-55.91	344.54	6.57	-49.34
CC1=CC(OCC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC(C)=C1Cl	REAL300020211798	0	46	-1.0	-52.47	366.35	7.78	-44.69
CC1=CC(OCC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC(C)=C1Cl	REAL300020211798	1	46	-1.0	-52.44	366.41	7.79	-44.65
O=C(COC1=CC=C2CCCCC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211799	0	50	-1.0	-54.86	374.92	8.60	-46.26
O=C(COC1=CC=C2CCCCC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211799	1	50	-1.0	-54.88	374.97	8.61	-46.27
O=C(CCCOC1=CC=C2CCCCC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211800	0	56	-1.0	-51.60	422.07	8.98	-42.62
O=C(CCCOC1=CC=C2CCCCC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211800	1	56	-1.0	-51.66	422.13	9.00	-42.66
CN(C)C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C(F)=C1	REAL300020211801	0	44	-1.0	-53.88	335.70	5.78	-48.10
CN(C)C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C(F)=C1	REAL300020211801	1	44	-1.0	-53.88	335.66	5.79	-48.09
CCOC(=O)NCCCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020211802	0	46	-1.0	-48.93	358.07	2.91	-46.02
CCOC(=O)NCCCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020211802	1	46	-1.0	-49.00	358.12	2.91	-46.09
CC1(C)CCCCC1CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020211803	0	51	-1.0	-49.46	349.86	7.37	-42.09
CC1(C)CCCCC1CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020211803	1	51	-1.0	-49.44	349.91	7.40	-42.04
O=C(CC1CSCCS1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211804	0	41	-1.0	-49.13	325.72	6.33	-42.80
O=C(CC1CSCCS1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211804	1	41	-1.0	-49.15	325.77	6.33	-42.82
CC1=CC(S(N)(=O)=O)=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1C	REAL300020211805	0	47	-1.0	-51.04	372.46	2.04	-49.00
CC1=CC(S(N)(=O)=O)=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1C	REAL300020211805	1	47	-1.0	-51.02	372.46	2.06	-48.96
O=C(C1=CC2=C(C=CO2)N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211806	0	37	-1.0	-53.53	292.24	3.88	-49.65
O=C(C1=CC2=C(C=CO2)N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211806	1	37	-1.0	-53.54	292.33	3.88	-49.66
O=C(C1=CC2=CN=CN2C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211807	0	39	-1.0	-50.31	307.00	6.81	-43.50
O=C(C1=CC2=CN=CN2C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211807	1	39	-1.0	-50.33	307.04	6.83	-43.50
O=C(C1=CC2=C[NH+]=CN2C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211807	1	40	0.0	-66.91	310.66	7.36	-59.55
CC(C(=O)N1CCCCC1CC1=N[N-]N=N1)N1CCSCC1	REAL300020211808	0	45	-1.0	-48.39	327.54	3.78	-44.61
CC(C(=O)N1CCCCC1CC1=NN=N[N-]1)N1CCSCC1	REAL300020211808	1	45	-1.0	-48.39	327.59	3.81	-44.58
CC(C(=O)N1CCCCC1CC1=NN=N[N-]1)[NH+]1CCSCC1	REAL300020211808	1	46	0.0	-40.42	331.35	6.19	-34.23
NC(=O)C1=CN=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C(Cl)=C1	REAL300020211809	0	39	-1.0	-52.43	320.29	1.73	-50.70
NC(=O)C1=CN=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C(Cl)=C1	REAL300020211809	1	39	-1.0	-52.44	320.24	1.73	-50.71
O=C(C1=C2CCCCN2N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211810	0	43	-1.0	-50.49	322.45	4.75	-45.74
O=C(C1=C2CCCCN2N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211810	1	43	-1.0	-50.50	322.48	4.76	-45.74
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)NC2=CC=C(C)C=C21	REAL300020211811	0	46	-1.0	-48.59	351.19	7.06	-41.53
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)NC2=CC=C(C)C=C21	REAL300020211811	1	46	-1.0	-48.63	351.23	7.07	-41.56
COC1=CC=C(C2=NNC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=C2)C=C1	REAL300020211812	0	47	-1.0	-47.96	367.41	5.02	-42.94
COC1=CC=C(C2=NNC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=C2)C=C1	REAL300020211812	1	47	-1.0	-47.92	367.47	5.02	-42.90
O=C(CC1=CSC2=CC=C(Cl)C=C12)N1CCCCC1CC1=N[N-]N=N1	REAL300020211813	0	42	-1.0	-48.66	360.04	8.05	-40.61
O=C(CC1=CSC2=CC=C(Cl)C=C12)N1CCCCC1CC1=NN=N[N-]1	REAL300020211813	1	42	-1.0	-48.65	360.10	8.07	-40.58
CC1=NC(Cl)=CC=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020211814	0	38	-1.0	-37.67	313.59	5.13	-32.54
CC1=NC(Cl)=CC=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020211814	1	38	-1.0	-37.65	313.64	5.15	-32.50
CC1=NC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C(C)S1	REAL300020211815	0	38	-1.0	-49.60	301.75	4.77	-44.83
CC1=NC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C(C)S1	REAL300020211815	1	38	-1.0	-49.60	301.80	4.77	-44.83
CC(C(=O)N1CCCCC1CC1=N[N-]N=N1)S(=O)(=O)C1CCOCC1	REAL300020211816	0	49	-1.0	-65.83	375.27	1.65	-64.18
CC(C(=O)N1CCCCC1CC1=NN=N[N-]1)S(=O)(=O)C1CCOCC1	REAL300020211816	1	49	-1.0	-65.82	375.33	1.66	-64.16
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=NN1CCC(C)C	REAL300020211817	0	51	-1.0	-49.36	379.69	6.55	-42.81
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=NN1CCC(C)C	REAL300020211817	1	51	-1.0	-49.19	379.54	6.56	-42.63
O=C(C1=CC(F)=C(F)C=C1Br)N1CCCCC1CC1=N[N-]N=N1	REAL300020211818	0	36	-1.0	-43.91	308.05	6.02	-37.89
O=C(C1=CC(F)=C(F)C=C1Br)N1CCCCC1CC1=NN=N[N-]1	REAL300020211818	1	36	-1.0	-43.91	308.07	6.02	-37.89
CCC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)SC=N1	REAL300020211819	0	38	-1.0	-48.70	304.45	3.88	-44.82
CCC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)SC=N1	REAL300020211819	1	38	-1.0	-48.74	304.50	3.89	-44.85
O=C(CCC1=CC=C(F)C=C1F)N1CCCCC1CC1=N[N-]N=N1	REAL300020211820	0	42	-1.0	-45.07	336.35	7.35	-37.72
O=C(CCC1=CC=C(F)C=C1F)N1CCCCC1CC1=NN=N[N-]1	REAL300020211820	1	42	-1.0	-45.10	336.41	7.35	-37.75
CC1=CC=C(C(C)C)C(OCCC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020211821	0	55	-1.0	-47.19	417.86	8.42	-38.77
CC1=CC=C(C(C)C)C(OCCC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020211821	1	55	-1.0	-47.18	417.92	8.43	-38.75
CC(C)C1=CC=CC=C1OCCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020211822	0	52	-1.0	-46.94	396.45	7.75	-39.19
CC(C)C1=CC=CC=C1OCCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020211822	1	52	-1.0	-46.94	396.51	7.76	-39.18
CN1N=C2CCCCC2=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020211823	0	46	-1.0	-48.78	347.91	5.74	-43.04
CN1N=C2CCCCC2=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020211823	1	46	-1.0	-48.75	347.97	5.76	-42.99
O=C(C1=CSC(C2=CC=NC=C2)=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211824	0	41	-1.0	-50.05	338.06	5.25	-44.80
O=C(C1=CSC(C2=CC=NC=C2)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211824	1	41	-1.0	-50.03	338.11	5.28	-44.75
CN(C)C(=O)NC1=CC=C(Cl)C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020211825	0	48	-1.0	-49.75	383.25	5.55	-44.20
CN(C)C(=O)NC1=CC=C(Cl)C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020211825	1	48	-1.0	-49.80	383.28	5.56	-44.24
O=C(C1=C2NC=NC2=CC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211826	0	39	-1.0	-49.49	299.51	5.08	-44.41
O=C(C1=C2NC=NC2=CC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211826	1	39	-1.0	-49.51	299.55	5.08	-44.43
O=C(CCCN1C=CC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211827	0	43	-1.0	-52.83	331.96	7.18	-45.65
O=C(CCCN1C=CC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211827	1	43	-1.0	-52.85	332.01	7.19	-45.66
CCCC1CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)CCO1	REAL300020211828	0	49	-1.0	-46.78	349.24	5.59	-41.19
CCCC1CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)CCO1	REAL300020211828	1	49	-1.0	-46.78	349.29	5.60	-41.18
O=C(CCCC1=CSC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211829	0	42	-1.0	-50.54	336.15	7.01	-43.53
O=C(CCCC1=CSC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211829	1	42	-1.0	-50.50	336.20	7.03	-43.47
CC(C)(C)OC(=O)NC1=CN=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020211830	0	51	-1.0	-55.27	391.16	4.28	-50.99
CC(C)(C)OC(=O)NC1=CN=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020211830	1	51	-1.0	-55.31	391.22	4.29	-51.02
CC(C)(C)OC(=O)N1CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020211831	0	50	-1.0	-50.40	375.54	4.95	-45.45
CC(C)(C)OC(=O)N1CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020211831	1	50	-1.0	-50.39	375.60	4.96	-45.43
COC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1OC1CCCC1	REAL300020211832	0	54	-1.0	-50.00	403.35	7.48	-42.52
COC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1OC1CCCC1	REAL300020211832	1	54	-1.0	-49.95	403.39	7.48	-42.47
O=C(COCC(F)(F)F)N1CCCCC1CC1=N[N-]N=N1	REAL300020211833	0	36	-1.0	-53.64	297.23	3.96	-49.68
O=C(COCC(F)(F)F)N1CCCCC1CC1=NN=N[N-]1	REAL300020211833	1	36	-1.0	-53.67	297.28	3.97	-49.70
O=C(CC1=NC(C2=CC=C(F)C=C2)=CS1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211834	0	45	-1.0	-51.12	377.49	6.91	-44.21
O=C(CC1=NC(C2=CC=C(F)C=C2)=CS1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211834	1	45	-1.0	-51.14	377.43	6.89	-44.25
COC1=CC2=NNN=C2C=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020211835	0	42	-1.0	-51.19	325.51	2.56	-48.63
COC1=CC2=NNN=C2C=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020211835	1	42	-1.0	-51.22	325.55	2.57	-48.65
O=C(C1=NC2=NNN=C2C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211836	0	37	-1.0	-48.43	293.57	2.76	-45.67
O=C(C1=NC2=NNN=C2C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211836	1	37	-1.0	-48.45	293.63	2.77	-45.68
O=C(CSC1=CC=C(Cl)C=C1[N+](=O)[O-])N1CCCCC1CC1=N[N-]N=N1	REAL300020211837	0	42	-1.0	-56.75	366.79	7.61	-49.14
O=C(CSC1=CC=C(Cl)C=C1[N+](=O)[O-])N1CCCCC1CC1=NN=N[N-]1	REAL300020211837	1	42	-1.0	-56.74	366.85	7.64	-49.10
O=C(CC1=CC=C2CC(=O)NC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211838	0	44	-1.0	-51.93	349.89	4.52	-47.41
O=C(CC1=CC=C2CC(=O)NC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211838	1	44	-1.0	-51.91	349.96	4.55	-47.36
CC1=CC=NC=C1C=CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020211839	0	42	-1.0	-49.10	324.68	5.67	-43.43
CC1=CC=NC=C1C=CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020211839	1	42	-1.0	-49.12	324.74	5.67	-43.45
CCC(C)(C)[NH2+]C(C)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020211840	0	50	0.0	-44.90	336.98	4.66	-40.24
CCC(C)(C)[NH2+]C(C)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020211840	1	50	0.0	-45.76	337.63	4.64	-41.12
O=C(C1CCN2C(=CN=C2C2=CC=CC=C2)C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211841	0	53	-1.0	-51.89	394.88	8.90	-42.99
O=C(C1CCN2C(=CN=C2C2=CC=CC=C2)C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211841	1	53	-1.0	-51.89	394.93	8.91	-42.98
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CC1=CC=CC(C)=C1CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020211896	0	45	-1.0	-48.23	342.06	7.13	-41.10
CC1=CC=CC(C)=C1CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020211896	1	45	-1.0	-48.24	342.12	7.13	-41.11
N#CCC1=CC=CC=C1CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020211897	0	43	-1.0	-46.40	344.24	6.93	-39.47
N#CCC1=CC=CC=C1CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020211897	1	43	-1.0	-46.37	344.31	6.93	-39.44
O=C(C1=CC=CC(OC2=CC=C(Cl)C=C2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211898	0	47	-1.0	-49.15	386.40	8.77	-40.38
O=C(C1=CC=CC(OC2=CC=C(Cl)C=C2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211898	1	47	-1.0	-49.14	386.44	8.78	-40.36
O=C(C1=COC(C2=CC=CC=C2Cl)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211899	0	42	-1.0	-50.59	344.33	5.97	-44.62
O=C(C1=COC(C2=CC=CC=C2Cl)=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211899	1	42	-1.0	-50.57	344.27	5.95	-44.62
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)SC2=NC(C)=NC(N)=C12	REAL300020211900	0	45	-1.0	-50.17	354.85	4.24	-45.93
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)SC2=NC(C)=NC(N)=C12	REAL300020211900	1	45	-1.0	-50.17	354.90	4.24	-45.93
CN(C)S(=O)(=O)C1=CN(C)C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020211901	0	48	-1.0	-41.65	382.43	3.04	-38.61
CN(C)S(=O)(=O)C1=CN(C)C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020211901	1	48	-1.0	-41.72	382.45	3.06	-38.66
O=C(C1CC(=O)N(C2=C(F)C=CC=C2F)C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211902	0	47	-1.0	-53.41	379.22	6.66	-46.75
O=C(C1CC(=O)N(C2=C(F)C=CC=C2F)C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211902	1	47	-1.0	-53.38	379.29	6.68	-46.70
O=C(N1CCCCC1CC1=N[N-]N=N1)C(F)(F)C1=CC=C([N+](=O)[O-])C=C1	REAL300020211903	0	41	-1.0	-43.81	338.38	7.13	-36.68
O=C(N1CCCCC1CC1=NN=N[N-]1)C(F)(F)C1=CC=C([N+](=O)[O-])C=C1	REAL300020211903	1	41	-1.0	-43.84	338.44	7.13	-36.71
CSC1=CC=CC=C1CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020211904	0	43	-1.0	-48.67	345.18	6.96	-41.71
CSC1=CC=CC=C1CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020211904	1	43	-1.0	-48.62	345.24	6.96	-41.66
COCCOC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=N1	REAL300020211905	0	46	-1.0	-50.99	362.56	2.31	-48.68
COCCOC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=N1	REAL300020211905	1	46	-1.0	-51.01	362.51	2.30	-48.71
CC(=O)C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C(F)=C1	REAL300020211906	0	41	-1.0	-51.59	324.72	5.77	-45.82
CC(=O)C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C(F)=C1	REAL300020211906	1	41	-1.0	-51.56	324.69	5.78	-45.78
COC1=NC(C)=CC=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020211907	0	42	-1.0	-54.01	324.96	3.31	-50.70
COC1=NC(C)=CC=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020211907	1	42	-1.0	-54.00	324.99	3.32	-50.68
O=C(C=C1CCSCC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211908	0	41	-1.0	-47.97	313.16	6.27	-41.70
O=C(C=C1CCSCC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211908	1	41	-1.0	-47.97	313.21	6.28	-41.69
CCCC(CCC)CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020211909	0	50	-1.0	-45.49	352.04	7.60	-37.89
CCCC(CCC)CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020211909	1	50	-1.0	-45.49	352.06	7.62	-37.87
O=C(CCCC(F)(F)F)N1CCCCC1CC1=N[N-]N=N1	REAL300020211910	0	38	-1.0	-49.90	304.21	5.39	-44.51
O=C(CCCC(F)(F)F)N1CCCCC1CC1=NN=N[N-]1	REAL300020211910	1	38	-1.0	-49.85	304.26	5.40	-44.45
CCCC(=CC(=O)N1CCCCC1CC1=N[N-]N=N1)CCC	REAL300020211911	0	48	-1.0	-43.30	363.12	7.67	-35.63
CCCC(=CC(=O)N1CCCCC1CC1=NN=N[N-]1)CCC	REAL300020211911	1	48	-1.0	-43.34	363.17	7.68	-35.66
COCC1=NN=C(C2=CC=CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=C2)O1	REAL300020211912	0	48	-1.0	-56.42	386.69	1.07	-55.35
COCC1=NN=C(C2=CC=CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=C2)O1	REAL300020211912	1	48	-1.0	-56.41	386.73	1.08	-55.33
CC1=CSC2=NC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C(=O)N12	REAL300020211913	0	41	-1.0	-61.04	330.60	5.02	-56.02
CC1=CSC2=NC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C(=O)N12	REAL300020211913	1	41	-1.0	-61.01	330.54	5.01	-56.00
CC(CC(=O)N1CCCCC1CC1=N[N-]N=N1)CC1=CC=C(Cl)C=C1	REAL300020211914	0	48	-1.0	-46.95	372.19	9.03	-37.92
CC(CC(=O)N1CCCCC1CC1=NN=N[N-]1)CC1=CC=C(Cl)C=C1	REAL300020211914	1	48	-1.0	-46.94	372.24	9.05	-37.89
O=C(C(O)C(O)C1=NC2=CC=CC=C2S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211915	0	46	-1.0	-50.26	367.90	1.29	-48.97
O=C(C(O)C(O)C1=NC2=CC=CC=C2S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211915	1	46	-1.0	-50.30	367.95	1.30	-49.00
O=C(C=CC1=CC=C(O)C(O)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211916	0	42	-1.0	-52.31	333.40	2.01	-50.30
O=C(C=CC1=CC=C(O)C(O)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211916	1	42	-1.0	-52.30	333.45	2.02	-50.28
O=C(C1=CC=CC(C2=NN=CO2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211917	0	41	-1.0	-55.93	331.05	1.28	-54.65
O=C(C1=CC=CC(C2=NN=CO2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211917	1	41	-1.0	-55.91	331.08	1.30	-54.61
CC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1O	REAL300020211918	0	40	-1.0	-49.91	311.16	3.29	-46.62
CC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1O	REAL300020211918	1	40	-1.0	-49.91	311.20	3.30	-46.61
O=C(C1=CC=C2C=CNC2=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211919	0	39	-1.0	-53.15	304.70	5.47	-47.68
O=C(C1=CC=C2C=CNC2=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211919	1	39	-1.0	-53.14	304.75	5.47	-47.67
CC1=CC(O)=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020211920	0	40	-1.0	-51.52	309.76	3.15	-48.37
CC1=CC(O)=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020211920	1	40	-1.0	-51.55	309.78	3.15	-48.40
CN1C=NC2=CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=CN=C21	REAL300020211921	0	41	-1.0	-53.92	323.78	5.86	-48.06
CN1C=NC2=CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=CN=C21	REAL300020211921	1	41	-1.0	-53.92	323.75	5.86	-48.06
COC1=C(C)C=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1C	REAL300020211922	0	46	-1.0	-47.84	353.63	6.28	-41.56
COC1=C(C)C=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1C	REAL300020211922	1	46	-1.0	-47.86	353.67	6.29	-41.57
O=C(C1=CC=C(C(F)(F)F)C=C1O)N1CCCCC1CC1=N[N-]N=N1	REAL300020211923	0	40	-1.0	-45.04	326.86	4.21	-40.83
O=C(C1=CC=C(C(F)(F)F)C=C1O)N1CCCCC1CC1=NN=N[N-]1	REAL300020211923	1	40	-1.0	-45.07	326.82	4.23	-40.84
O=C(C1=CC=C(C(F)(F)F)C=C1[O-])N1CCCCC1CC1=N[N-]N=N1	REAL300020211923	1	39	-2.0	-110.90	322.77	5.21	-105.69
O=C(C1=CC=C(C(F)(F)F)C=C1[O-])N1CCCCC1CC1=NN=N[N-]1	REAL300020211923	1	39	-2.0	-110.97	322.77	5.22	-105.75
O=C(C1=CC=C2C=CC=NN21)N1CCCCC1CC1=NN=N[N-]1	REAL300020211924	0	39	-1.0	-57.69	305.93	5.56	-52.13
O=C(C1=CC=C2C=CC=NN21)N1CCCCC1CC1=N[N-]N=N1	REAL300020211924	1	39	-1.0	-57.69	305.89	5.55	-52.14
CC(C)C1=CC=CC(C2=CC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)O2)=C1	REAL300020211925	0	52	-1.0	-49.65	399.67	9.40	-40.25
CC(C)C1=CC=CC(C2=CC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)O2)=C1	REAL300020211925	1	52	-1.0	-49.64	399.73	9.40	-40.24
O=C(C1=CC=C(F)C(Cl)=C1F)N1CCCCC1CC1=N[N-]N=N1	REAL300020211926	0	36	-1.0	-48.88	305.60	5.91	-42.97
O=C(C1=CC=C(F)C(Cl)=C1F)N1CCCCC1CC1=NN=N[N-]1	REAL300020211926	1	36	-1.0	-48.88	305.56	5.92	-42.96
O=C(C1=CC=C(O)C=C1F)N1CCCCC1CC1=N[N-]N=N1	REAL300020211927	0	37	-1.0	-51.51	294.56	2.52	-48.99
O=C(C1=CC=C(O)C=C1F)N1CCCCC1CC1=NN=N[N-]1	REAL300020211927	1	37	-1.0	-51.56	294.51	2.53	-49.03
O=C(C1=CC=C([O-])C=C1F)N1CCCCC1CC1=N[N-]N=N1	REAL300020211927	1	36	-2.0	-98.95	290.88	3.30	-95.65
O=C(C1=CC=C([O-])C=C1F)N1CCCCC1CC1=NN=N[N-]1	REAL300020211927	1	36	-2.0	-99.08	290.85	3.33	-95.75
O=C(C1=C(Br)N=CS1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211928	0	32	-1.0	-47.28	287.13	3.07	-44.21
O=C(C1=C(Br)N=CS1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211928	1	32	-1.0	-47.27	287.11	3.07	-44.20
CC(C(=O)N1CCCCC1CC1=NN=N[N-]1)N1N=NN=C1C(C)(C)C	REAL300020211929	0	49	-1.0	-61.12	362.26	4.47	-56.65
CC(C(=O)N1CCCCC1CC1=N[N-]N=N1)N1N=NN=C1C(C)(C)C	REAL300020211929	1	49	-1.0	-61.13	362.20	4.47	-56.66
O=C(C1=CSC(NC2CC2)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211930	0	41	-1.0	-49.32	331.68	4.93	-44.39
O=C(C1=CSC(NC2CC2)=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211930	1	41	-1.0	-49.35	331.62	4.91	-44.44
CC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=NN1C1=CC=C(F)C=C1	REAL300020211931	0	46	-1.0	-51.93	363.60	7.70	-44.23
CC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=NN1C1=CC=C(F)C=C1	REAL300020211931	1	46	-1.0	-51.90	363.65	7.70	-44.20
CC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=NN1C1=CC=C(C)C=C1	REAL300020211932	0	49	-1.0	-53.46	378.59	8.30	-45.16
CC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=NN1C1=CC=C(C)C=C1	REAL300020211932	1	49	-1.0	-53.50	378.64	8.31	-45.19
CC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=NN1C1=CC=CC(Cl)=C1	REAL300020211933	0	46	-1.0	-54.20	373.76	8.14	-46.06
CC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=NN1C1=CC=CC(Cl)=C1	REAL300020211933	1	46	-1.0	-54.21	373.82	8.17	-46.04
CC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=NN1C1=CC(C)=CC(C)=C1	REAL300020211934	0	52	-1.0	-53.86	398.77	8.88	-44.98
CC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=NN1C1=CC(C)=CC(C)=C1	REAL300020211934	1	52	-1.0	-53.85	398.83	8.90	-44.95
CCOC1=CC=CC=C1C1=CC=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020211935	0	53	-1.0	-52.29	412.29	9.54	-42.75
CCOC1=CC=CC=C1C1=CC=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020211935	1	53	-1.0	-52.31	412.35	9.55	-42.76
O=C(C1=CC=NC(OC2CCCCC2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211936	0	52	-1.0	-48.27	392.76	6.04	-42.23
O=C(C1=CC=NC(OC2CCCCC2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211936	1	52	-1.0	-48.23	392.71	6.04	-42.19
CC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=NN1C(C)C1CC1	REAL300020211937	0	49	-1.0	-53.70	374.48	7.36	-46.34
CC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=NN1C(C)C1CC1	REAL300020211937	1	49	-1.0	-53.69	374.53	7.36	-46.33
CC1=NC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C(C)=N1	REAL300020211938	0	40	-1.0	-40.90	313.39	4.43	-36.47
CC1=NC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C(C)=N1	REAL300020211938	1	40	-1.0	-40.90	313.44	4.44	-36.46
CC(C)(C)OC(=O)C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020211939	0	51	-1.0	-48.35	387.79	8.04	-40.31
CC(C)(C)OC(=O)C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020211939	1	51	-1.0	-48.26	387.80	8.05	-40.21
CC1=CN2C(=NC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C2=O)S1	REAL300020211940	0	41	-1.0	-60.23	335.08	5.26	-54.97
CC1=CN2C(=NC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C2=O)S1	REAL300020211940	1	41	-1.0	-60.19	335.02	5.24	-54.95
CCC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC(=O)N1	REAL300020211941	0	42	-1.0	-55.29	325.11	3.54	-51.75
CCC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC(=O)N1	REAL300020211941	1	42	-1.0	-55.30	325.15	3.55	-51.75
O=C(C1=CC(OCC(F)F)=CC=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211942	0	42	-1.0	-59.40	337.97	5.01	-54.39
O=C(C1=CC(OCC(F)F)=CC=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211942	1	42	-1.0	-59.43	337.92	4.99	-54.44
O=C(C1=CN=C(OC2=CC=CC=C2)C=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211943	0	45	-1.0	-48.56	359.41	4.74	-43.82
O=C(C1=CN=C(OC2=CC=CC=C2)C=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211943	1	45	-1.0	-48.55	359.36	4.72	-43.83
COC1=C2C(CC(=O)N3CCCCC3CC3=N[N-]N=N3)=CNC2=CC=C1	REAL300020211944	0	47	-1.0	-52.57	363.32	5.89	-46.68
COC1=C2C(CC(=O)N3CCCCC3CC3=NN=N[N-]3)=CNC2=CC=C1	REAL300020211944	1	47	-1.0	-52.63	363.37	5.90	-46.73
CCCCCCCCC(C)CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020211945	0	59	-1.0	-45.77	424.89	10.24	-35.53
CCCCCCCCC(C)CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020211945	1	59	-1.0	-45.77	424.92	10.24	-35.53
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)SC(C2CCCCC2)=N1	REAL300020211946	0	51	-1.0	-48.32	388.82	7.14	-41.18
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)SC(C2CCCCC2)=N1	REAL300020211946	1	51	-1.0	-48.32	388.87	7.14	-41.18
O=C(C1=CC2=C(OCO2)C([N+](=O)[O-])=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211947	0	41	-1.0	-48.23	333.61	5.06	-43.17
O=C(C1=CC2=C(OCO2)C([N+](=O)[O-])=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211947	1	41	-1.0	-48.23	333.66	5.08	-43.15
CC1=CC(Br)=CC=C1CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020211948	0	42	-1.0	-47.85	345.99	7.18	-40.67
CC1=CC(Br)=CC=C1CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020211948	1	42	-1.0	-47.79	346.06	7.21	-40.58
CCC1=NN(C)C=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020211949	0	42	-1.0	-55.85	329.13	4.32	-51.53
CCC1=NN(C)C=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020211949	1	42	-1.0	-53.38	328.22	4.82	-48.56
COC1=CC=C(N2N=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2C)C=C1	REAL300020211950	0	50	-1.0	-53.63	386.66	6.92	-46.71
COC1=CC=C(N2N=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2C)C=C1	REAL300020211950	1	50	-1.0	-53.60	386.72	6.93	-46.67
O=C(C1=CC2=C(CCC2)N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211951	0	41	-1.0	-51.03	309.22	5.47	-45.56
O=C(C1=CC2=C(CCC2)N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211951	1	41	-1.0	-51.00	309.28	5.48	-45.52
CC1=CC(F)=C2NC(=O)C=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C2=C1	REAL300020211952	0	45	-1.0	-45.03	358.84	5.69	-39.34
CC1=CC(F)=C2NC(=O)C=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C2=C1	REAL300020211952	1	45	-1.0	-45.04	358.90	5.70	-39.34
O=C(CC1=CC=CC(OCC2=CC=CN=C2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211953	0	52	-1.0	-51.73	409.43	8.01	-43.72
O=C(CC1=CC=CC(OCC2=CC=CN=C2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211953	1	52	-1.0	-51.75	409.38	8.00	-43.75
COCCC1=NN=C(C2=CC=CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=C2)O1	REAL300020211954	0	51	-1.0	-53.86	408.19	1.85	-52.01
COCCC1=NN=C(C2=CC=CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=C2)O1	REAL300020211954	1	51	-1.0	-53.88	408.22	1.86	-52.02
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=NN1C(C)C	REAL300020211955	0	45	-1.0	-48.62	345.18	5.29	-43.33
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=NN1C(C)C	REAL300020211955	1	45	-1.0	-48.64	345.28	5.31	-43.33
CCC(C)OC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=N1	REAL300020211956	0	48	-1.0	-48.54	369.83	4.77	-43.77
CCC(C)OC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=N1	REAL300020211956	1	48	-1.0	-48.53	369.79	4.77	-43.76
CC1=CC(C=CC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC(C)=C1	REAL300020211957	0	46	-1.0	-50.16	354.47	8.24	-41.92
CC1=CC(C=CC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC(C)=C1	REAL300020211957	1	46	-1.0	-50.13	354.52	8.24	-41.89
CC(CC1=CC=CC=C1)N1C=CC=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020211958	0	53	-1.0	-53.25	398.10	9.82	-43.43
CC(CC1=CC=CC=C1)N1C=CC=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020211958	1	53	-1.0	-53.29	398.15	9.83	-43.46
CC(C)CC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC(=O)N1	REAL300020211959	0	48	-1.0	-54.57	362.94	5.26	-49.31
CC(C)CC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC(=O)N1	REAL300020211959	1	48	-1.0	-54.60	362.98	5.26	-49.34
COC(=O)C1=NOC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020211960	0	38	-1.0	-45.65	311.34	3.53	-42.12
COC(=O)C1=NOC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020211960	1	38	-1.0	-45.61	311.28	3.53	-42.08
CC1=CC=CC(C2=NOC(SCC(=O)N3CCCCC3CC3=NN=N[N-]3)=N2)=C1	REAL300020211961	0	48	-1.0	-49.19	402.10	5.91	-43.28
CC1=CC=CC(C2=NOC(SCC(=O)N3CCCCC3CC3=N[N-]N=N3)=N2)=C1	REAL300020211961	1	48	-1.0	-49.16	402.03	5.88	-43.28
O=C(C1=CC(Br)=NC=C1F)N1CCCCC1CC1=NN=N[N-]1	REAL300020211962	0	35	-1.0	-47.06	299.53	4.17	-42.89
O=C(C1=CC(Br)=NC=C1F)N1CCCCC1CC1=N[N-]N=N1	REAL300020211962	1	35	-1.0	-47.05	299.51	4.16	-42.89
CC(=CC1=CC=CC=C1Cl)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020211963	0	43	-1.0	-53.91	340.64	7.84	-46.07
CC(=CC1=CC=CC=C1Cl)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020211963	1	43	-1.0	-53.94	340.66	7.85	-46.09
CC1=NC(COC2=CC=CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=C2)=NO1	REAL300020211964	0	48	-1.0	-55.86	385.09	4.33	-51.53
CC1=NC(COC2=CC=CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=C2)=NO1	REAL300020211964	1	48	-1.0	-55.91	385.14	4.35	-51.56
COCC(=O)N(C)CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020211965	0	43	-1.0	-50.33	333.97	3.65	-46.68
COCC(=O)N(C)CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020211965	1	43	-1.0	-50.27	334.02	3.66	-46.61
COC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1Cl	REAL300020211966	0	40	-1.0	-46.48	325.62	5.23	-41.25
COC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1Cl	REAL300020211966	1	40	-1.0	-46.45	325.65	5.25	-41.20
CCC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1S(C)(=O)=O	REAL300020211967	0	48	-1.0	-55.07	369.97	4.19	-50.88
CCC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1S(C)(=O)=O	REAL300020211967	1	48	-1.0	-55.16	370.01	4.21	-50.95
COC1=C(Br)SC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020211968	0	37	-1.0	-46.68	320.91	4.62	-42.06
COC1=C(Br)SC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020211968	1	37	-1.0	-46.67	320.95	4.63	-42.04
N#CC1=CC2=CC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2C=C1	REAL300020211969	0	43	-1.0	-49.25	347.23	8.03	-41.22
N#CC1=CC2=CC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2C=C1	REAL300020211969	1	43	-1.0	-49.25	347.26	8.04	-41.21
O=C(C1COC2=CC=C(Br)C=C21)N1CCCCC1CC1=N[N-]N=N1	REAL300020211970	0	41	-1.0	-50.55	333.48	5.96	-44.59
O=C(C1COC2=CC=C(Br)C=C21)N1CCCCC1CC1=NN=N[N-]1	REAL300020211970	1	41	-1.0	-50.56	333.53	5.96	-44.60
CN(C)S(=O)(=O)C1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CO1	REAL300020211971	0	44	-1.0	-51.66	357.38	1.51	-50.15
CN(C)S(=O)(=O)C1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CO1	REAL300020211971	1	44	-1.0	-51.73	357.36	1.51	-50.22
O=C(N1CCCCC1CC1=N[N-]N=N1)C(F)(F)C1=C(F)C=CC=C1F	REAL300020211972	0	39	-1.0	-54.62	312.29	6.25	-48.37
O=C(N1CCCCC1CC1=NN=N[N-]1)C(F)(F)C1=C(F)C=CC=C1F	REAL300020211972	1	39	-1.0	-54.63	312.33	6.27	-48.36
N#CC1=CC=C(C2CC2C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020211973	0	44	-1.0	-48.43	340.88	8.18	-40.25
N#CC1=CC=C(C2CC2C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020211973	1	44	-1.0	-48.44	340.89	8.19	-40.25
O=C(C1=CN=CC(I)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211974	0	35	-1.0	-44.82	302.74	4.62	-40.20
O=C(C1=CN=CC(I)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211974	1	35	-1.0	-44.82	302.71	4.63	-40.19
COC1=CC=C(COCCCC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020211975	0	53	-1.0	-54.79	409.71	6.66	-48.13
COC1=CC=C(COCCCC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020211975	1	53	-1.0	-54.85	409.75	6.68	-48.17
CC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C(C)N=N1	REAL300020211976	0	40	-1.0	-40.06	313.44	4.20	-35.86
CC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C(C)N=N1	REAL300020211976	1	40	-1.0	-40.05	313.49	4.21	-35.84
O=C(CCC(=O)N1CCCCC1CC1=N[N-]N=N1)NC1CCCC1	REAL300020211977	0	49	-1.0	-45.72	373.08	4.44	-41.28
O=C(CCC(=O)N1CCCCC1CC1=NN=N[N-]1)NC1CCCC1	REAL300020211977	1	49	-1.0	-45.71	373.14	4.45	-41.26
O=C(CC1=CNC2=CC=C([N+](=O)[O-])C=C12)N1CCCCC1CC1=N[N-]N=N1	REAL300020211978	0	45	-1.0	-50.77	363.28	7.22	-43.55
O=C(CC1=CNC2=CC=C([N+](=O)[O-])C=C12)N1CCCCC1CC1=NN=N[N-]1	REAL300020211978	1	45	-1.0	-50.72	363.33	7.23	-43.49
CC(C)NC(=O)C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020211979	0	49	-1.0	-52.09	376.68	5.26	-46.83
CC(C)NC(=O)C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020211979	1	49	-1.0	-52.06	376.68	5.29	-46.77
O=C(C1=CC=CC(C2=NNC=N2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211980	0	42	-1.0	-56.30	335.25	6.24	-50.06
O=C(C1=CC=CC(C2=NNC=N2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211980	1	42	-1.0	-56.29	335.29	6.26	-50.03
CC(C)(C)OC(=O)N1CCC(CCC(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020211981	0	59	-1.0	-50.23	435.41	7.36	-42.87
CC(C)(C)OC(=O)N1CCC(CCC(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020211981	1	59	-1.0	-50.21	435.46	7.37	-42.84
CC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=NN1C1=CC=CC=C1Cl	REAL300020211982	0	46	-1.0	-57.24	372.31	8.25	-48.99
CC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=NN1C1=CC=CC=C1Cl	REAL300020211982	1	46	-1.0	-57.21	372.37	8.27	-48.94
O=C(C1=CN(C2=CC=CC(Cl)=C2F)N=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211983	0	42	-1.0	-50.49	353.63	6.27	-44.22
O=C(C1=CN(C2=CC=CC(Cl)=C2F)N=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211983	1	42	-1.0	-50.54	353.58	6.26	-44.28
O=C(C1=CC=CC(C2=COC=C2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211984	0	43	-1.0	-51.21	341.22	7.14	-44.07
O=C(C1=CC=CC(C2=COC=C2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211984	1	43	-1.0	-51.17	341.26	7.14	-44.03
COC1=CC2=C(CC(=O)N3CCCCC3CC3=N[N-]N=N3)C=CC=C2C=C1	REAL300020211985	0	49	-1.0	-52.30	375.29	7.92	-44.38
COC1=CC2=C(CC(=O)N3CCCCC3CC3=NN=N[N-]3)C=CC=C2C=C1	REAL300020211985	1	49	-1.0	-52.25	375.34	7.93	-44.32
O=C(C1=CC=CC(C2CCOC2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211986	0	47	-1.0	-49.56	354.73	6.00	-43.56
O=C(C1=CC=CC(C2CCOC2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211986	1	47	-1.0	-49.57	354.76	6.00	-43.57
COC1=CC=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1F	REAL300020211987	0	40	-1.0	-56.28	312.84	4.67	-51.61
COC1=CC=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1F	REAL300020211987	1	40	-1.0	-56.29	312.81	4.68	-51.61
O=C(CN1C=NC(C2=CC=CC=C2)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211988	0	45	-1.0	-61.22	363.08	7.89	-53.33
O=C(CN1C=NC(C2=CC=CC=C2)=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211988	1	45	-1.0	-61.24	363.02	7.87	-53.37
CC(=O)N(CCC1=CC=CC=C1)CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020211989	0	52	-1.0	-54.17	397.64	8.07	-46.10
CC(=O)N(CCC1=CC=CC=C1)CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020211989	1	52	-1.0	-54.22	397.69	8.07	-46.15
CC(SC1=NC2=CC=CC=C2S1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020211990	0	45	-1.0	-49.54	372.24	7.49	-42.05
CC(SC1=NC2=CC=CC=C2S1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020211990	1	45	-1.0	-49.56	372.18	7.49	-42.07
CC(C)(C)OC(=O)N1CCC[C@H]1CCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020211991	0	59	-1.0	-56.20	435.67	7.12	-49.08
CC(C)(C)OC(=O)N1CCC[C@H]1CCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020211991	1	59	-1.0	-56.17	435.73	7.13	-49.04
CC1=CC(F)=CC=C1N1C=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)N=N1	REAL300020211992	0	45	-1.0	-46.40	354.75	6.55	-39.85
CC1=CC(F)=CC=C1N1C=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)N=N1	REAL300020211992	1	45	-1.0	-46.39	354.69	6.53	-39.86
CCC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C2=CC=CC=C2O1	REAL300020211993	0	45	-1.0	-46.91	355.78	7.09	-39.82
CCC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C2=CC=CC=C2O1	REAL300020211993	1	45	-1.0	-46.89	355.84	7.11	-39.78
COC1=CC=CC(C2=NC(C)=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)N2)=C1	REAL300020211994	0	50	-1.0	-51.19	387.53	6.27	-44.92
COC1=CC=CC(C2=NC(C)=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)N2)=C1	REAL300020211994	1	50	-1.0	-51.26	387.57	6.29	-44.97
O=C(C1=CNC2=NC=NC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211995	0	38	-1.0	-52.29	300.63	4.24	-48.05
O=C(C1=CNC2=NC=NC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211995	1	38	-1.0	-52.22	300.69	4.25	-47.97
O=C(CC1=CC=C(S(=O)(=O)CCO)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020211996	0	49	-1.0	-58.19	396.41	1.55	-56.64
O=C(CC1=CC=C(S(=O)(=O)CCO)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020211996	1	49	-1.0	-58.15	396.46	1.56	-56.59
NS(=O)(=O)C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020211997	0	40	-1.0	-54.69	332.32	-1.43	-56.12
NS(=O)(=O)C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020211997	1	40	-1.0	-54.66	332.28	-1.45	-56.11
CC1=CN=C(CC(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020211998	0	38	-1.0	-49.94	314.63	3.99	-45.95
CC1=CN=C(CC(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020211998	1	38	-1.0	-49.93	314.70	4.02	-45.91
CC1(C)CCCC(C(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020211999	0	48	-1.0	-49.58	335.36	6.61	-42.97
CC1(C)CCCC(C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020211999	1	48	-1.0	-49.59	335.41	6.62	-42.97
COC1=CC=C(C(F)(F)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020212000	0	43	-1.0	-45.15	339.63	5.66	-39.49
COC1=CC=C(C(F)(F)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020212000	1	43	-1.0	-45.14	339.69	5.67	-39.47
O=C(C1=NN(C2=CC=CC=C2F)C(=O)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212001	0	45	-1.0	-50.43	366.17	6.50	-43.93
O=C(C1=NN(C2=CC=CC=C2F)C(=O)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212001	1	45	-1.0	-50.41	366.19	6.53	-43.88
O=C(NC1CC1)C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020212002	0	47	-1.0	-50.79	367.77	5.39	-45.40
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COC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC(OC)=C1O	REAL300020212003	0	45	-1.0	-48.46	349.51	2.43	-46.03
COC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC(OC)=C1O	REAL300020212003	1	45	-1.0	-48.45	349.55	2.44	-46.01
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O=C(C1=CN2C(=O)NN=C2C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212004	1	39	-1.0	-49.40	312.26	3.78	-45.62
CC(=O)CCCCCCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020212005	0	49	-1.0	-50.64	373.78	7.26	-43.38
CC(=O)CCCCCCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020212005	1	49	-1.0	-50.67	373.83	7.27	-43.40
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O=C(C1CCN(C2=CN=CC3=NN=NN32)CC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212006	1	51	-1.0	-54.94	378.82	5.11	-49.83
COC(C(=O)N1CCCCC1CC1=N[N-]N=N1)C1=CC=CC=C1	REAL300020212007	0	43	-1.0	-52.13	329.82	6.03	-46.10
COC(C(=O)N1CCCCC1CC1=NN=N[N-]1)C1=CC=CC=C1	REAL300020212007	1	43	-1.0	-52.12	329.87	6.04	-46.08
CC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC(=O)N1	REAL300020212008	0	39	-1.0	-56.66	303.71	2.82	-53.84
CC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC(=O)N1	REAL300020212008	1	39	-1.0	-56.72	303.75	2.82	-53.90
CC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1Br	REAL300020212009	0	39	-1.0	-46.86	321.70	6.72	-40.14
CC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1Br	REAL300020212009	1	39	-1.0	-46.87	321.74	6.74	-40.13
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CCS(=O)(=O)C1=CC=C(CCC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020212011	1	51	-1.0	-52.47	411.59	5.34	-47.13
CC(C)CC1=CC=C(C(C)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020212012	0	54	-1.0	-50.20	396.85	9.52	-40.68
CC(C)CC1=CC=C(C(C)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020212012	1	54	-1.0	-50.16	396.84	9.53	-40.63
O=C(C1=CC(F)=C(Cl)C=C1F)N1CCCCC1CC1=N[N-]N=N1	REAL300020212013	0	36	-1.0	-46.70	305.55	5.93	-40.77
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CN1N=CC([N+](=O)[O-])=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020212014	0	38	-1.0	-41.88	301.77	4.97	-36.91
CN1N=CC([N+](=O)[O-])=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020212014	1	38	-1.0	-41.87	301.68	4.95	-36.92
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)SC(N(C)C)=N1	REAL300020212015	0	43	-1.0	-50.94	342.19	4.86	-46.08
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)SC(N(C)C)=N1	REAL300020212015	1	43	-1.0	-50.97	342.21	4.86	-46.11
CCOC(=O)C1=CN=C(C)C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020212016	0	47	-1.0	-48.92	369.86	5.83	-43.09
CCOC(=O)C1=CN=C(C)C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020212016	1	47	-1.0	-48.97	369.91	5.85	-43.12
CC1=C(C#N)C(CC(=O)N2CCCCC2CC2=N[N-]N=N2)=NO1	REAL300020212017	0	39	-1.0	-51.44	326.32	4.70	-46.74
CC1=C(C#N)C(CC(=O)N2CCCCC2CC2=NN=N[N-]2)=NO1	REAL300020212017	1	39	-1.0	-51.44	326.39	4.73	-46.71
CC(C(=O)N1CCCCC1CC1=N[N-]N=N1)N1CCC2=CC=CC=C21	REAL300020212018	0	48	-1.0	-49.19	344.89	5.72	-43.47
CC(C(=O)N1CCCCC1CC1=NN=N[N-]1)N1CCC2=CC=CC=C21	REAL300020212018	1	48	-1.0	-49.17	344.94	5.72	-43.45
O=C(C1CCC2=NNC=C2C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212019	0	43	-1.0	-50.39	320.13	4.28	-46.11
O=C(C1CCC2=NNC=C2C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212019	1	43	-1.0	-50.43	320.17	4.28	-46.15
O=C(C1=CN=C(C2CCCO2)S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212020	0	43	-1.0	-50.24	342.10	3.54	-46.70
O=C(C1=CN=C(C2CCCO2)S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212020	1	43	-1.0	-50.39	342.45	3.55	-46.84
O=C(C1=CC(F)=CC2=CC=CN=C21)N1CCCCC1CC1=NN=N[N-]1	REAL300020212021	0	41	-1.0	-55.76	322.74	5.97	-49.79
O=C(C1=CC(F)=CC2=CC=CN=C21)N1CCCCC1CC1=N[N-]N=N1	REAL300020212021	1	41	-1.0	-55.78	322.71	5.95	-49.83
O=C(CCC1=CN=CC(F)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212022	0	41	-1.0	-45.73	325.81	5.54	-40.19
O=C(CCC1=CN=CC(F)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212022	1	41	-1.0	-45.72	325.75	5.53	-40.19
O=C(C1=CC=CC(OCC(F)F)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212023	0	42	-1.0	-50.15	338.15	4.58	-45.57
O=C(C1=CC=CC(OCC(F)F)=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212023	1	42	-1.0	-50.20	338.10	4.58	-45.62
O=C(C1=CN=CC(N2CCOCC2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212024	0	48	-1.0	-48.81	361.30	2.52	-46.29
O=C(C1=CN=CC(N2CCOCC2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212024	1	48	-1.0	-48.85	361.26	2.51	-46.34
CC1=CC=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1Br	REAL300020212025	0	39	-1.0	-50.44	313.55	6.48	-43.96
CC1=CC=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1Br	REAL300020212025	1	39	-1.0	-50.44	313.57	6.47	-43.97
O=C(C1CCC2CCCCC2C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212026	0	52	-1.0	-48.79	354.94	8.01	-40.78
O=C(C1CCC2CCCCC2C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212026	1	52	-1.0	-48.81	354.99	8.02	-40.79
O=C(C1=CC=C(Cl)C(F)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212027	0	36	-1.0	-46.70	304.84	6.11	-40.59
O=C(C1=CC=C(Cl)C(F)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212027	1	36	-1.0	-46.70	304.88	6.12	-40.58
CC(C)(C)OC(=O)NC(CC(F)F)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020212028	0	52	-1.0	-46.18	387.18	3.99	-42.19
CC(C)(C)OC(=O)NC(CC(F)F)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020212028	1	52	-1.0	-46.18	387.26	3.99	-42.19
O=C(CCCC1=CC(F)=CC=C1F)N1CCCCC1CC1=N[N-]N=N1	REAL300020212029	0	45	-1.0	-49.79	362.73	7.77	-42.02
O=C(CCCC1=CC(F)=CC=C1F)N1CCCCC1CC1=NN=N[N-]1	REAL300020212029	1	45	-1.0	-49.82	362.79	7.79	-42.03
COC1=CC=C(CC(C)C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020212030	0	49	-1.0	-48.62	367.11	6.74	-41.88
COC1=CC=C(CC(C)C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020212030	1	49	-1.0	-48.65	367.16	6.76	-41.89
O=C(NC1=CC=CC=C1)C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020212031	0	50	-1.0	-51.84	391.61	7.43	-44.41
O=C(NC1=CC=CC=C1)C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020212031	1	50	-1.0	-51.85	391.65	7.45	-44.40
N#CCC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020212032	0	40	-1.0	-57.04	320.39	6.49	-50.55
N#CCC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020212032	1	40	-1.0	-57.04	320.39	6.51	-50.53
CC(C)(C)SCCCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020212033	0	48	-1.0	-50.76	365.65	7.45	-43.31
CC(C)(C)SCCCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020212033	1	48	-1.0	-50.75	365.70	7.45	-43.30
CC(C)CC1=CC=C(CCCC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020212034	0	57	-1.0	-48.79	432.01	10.37	-38.42
CC(C)CC1=CC=C(CCCC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020212034	1	57	-1.0	-48.82	432.07	10.38	-38.44
CC1=NOC(C)=C1C(C)CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020212035	0	47	-1.0	-44.95	345.43	6.39	-38.56
CC1=NOC(C)=C1C(C)CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020212035	1	47	-1.0	-44.96	345.47	6.41	-38.55
CC(C)(CCC(=O)N1CCCCC1CC1=N[N-]N=N1)C1=CC=CC=C1	REAL300020212036	0	51	-1.0	-50.91	372.03	8.59	-42.32
CC(C)(CCC(=O)N1CCCCC1CC1=NN=N[N-]1)C1=CC=CC=C1	REAL300020212036	1	51	-1.0	-50.91	372.07	8.60	-42.31
COC1=CC=C(CCCC(=O)N2CCCCC2CC2=N[N-]N=N2)C(OC)=C1	REAL300020212037	0	53	-1.0	-53.14	403.97	6.74	-46.40
COC1=CC=C(CCCC(=O)N2CCCCC2CC2=NN=N[N-]2)C(OC)=C1	REAL300020212037	1	53	-1.0	-53.09	404.02	6.76	-46.33
CCS(=O)(=O)C1=CC=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020212038	0	45	-1.0	-58.74	362.13	3.80	-54.94
CCS(=O)(=O)C1=CC=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020212038	1	45	-1.0	-58.73	362.16	3.80	-54.93
CC1=CC=C(S(N)(=O)=O)C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020212039	0	44	-1.0	-49.34	345.13	1.58	-47.76
CC1=CC=C(S(N)(=O)=O)C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020212039	1	44	-1.0	-49.41	345.15	1.59	-47.82
CC1=NNC(C)=C1C(C)CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020212040	0	48	-1.0	-48.27	351.88	5.04	-43.23
CC1=NNC(C)=C1C(C)CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020212040	1	48	-1.0	-48.28	351.94	5.08	-43.20
O=C(C1=CC=NC(N2CCCC2)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212041	0	46	-1.0	-49.25	347.56	6.13	-43.12
O=C(C1=CC=NC(N2CCCC2)=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212041	1	46	-1.0	-49.29	347.51	6.12	-43.17
O=C(C1CCCN(CC(F)(F)F)C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212042	0	47	-1.0	-46.24	352.25	4.59	-41.65
O=C(C1CCCN(CC(F)(F)F)C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212042	1	47	-1.0	-46.31	352.31	4.58	-41.73
O=C(C1=CC=CC(N2C=CN=N2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212043	0	42	-1.0	-58.87	332.56	5.29	-53.58
O=C(C1=CC=CC(N2C=CN=N2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212043	1	42	-1.0	-58.88	332.52	5.28	-53.60
COC1=CC=C2C(=C1)OCC2CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020212044	0	48	-1.0	-47.15	365.75	5.55	-41.60
COC1=CC=C2C(=C1)OCC2CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020212044	1	48	-1.0	-47.19	365.81	5.56	-41.63
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=NN1C1CCCC1	REAL300020212045	0	49	-1.0	-49.76	363.55	6.50	-43.26
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=NN1C1CCCC1	REAL300020212045	1	49	-1.0	-49.76	363.59	6.50	-43.26
CCC1=CSC(N2C=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=N2)=N1	REAL300020212046	0	45	-1.0	-51.77	366.47	6.08	-45.69
CCC1=CSC(N2C=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=N2)=N1	REAL300020212046	1	45	-1.0	-51.79	366.50	6.10	-45.69
O=C(C1=CNC2=CC=CC([N+](=O)[O-])=C12)N1CCCCC1CC1=N[N-]N=N1	REAL300020212047	0	42	-1.0	-50.22	332.03	6.27	-43.95
O=C(C1=CNC2=CC=CC([N+](=O)[O-])=C12)N1CCCCC1CC1=NN=N[N-]1	REAL300020212047	1	42	-1.0	-50.26	332.09	6.29	-43.97
C=C(C)C(CC(=O)N1CCCCC1CC1=N[N-]N=N1)OCC	REAL300020212048	0	46	-1.0	-47.42	355.87	5.73	-41.69
C=C(C)C(CC(=O)N1CCCCC1CC1=NN=N[N-]1)OCC	REAL300020212048	1	46	-1.0	-47.39	355.93	5.75	-41.64
CC(C(=O)N1CCCCC1CC1=N[N-]N=N1)C1=C(F)C=CC=C1F	REAL300020212049	0	42	-1.0	-48.59	323.30	6.67	-41.92
CC(C(=O)N1CCCCC1CC1=NN=N[N-]1)C1=C(F)C=CC=C1F	REAL300020212049	1	42	-1.0	-48.63	323.32	6.69	-41.94
N#CCOC1=CC=CC(CC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020212050	0	44	-1.0	-52.47	353.99	6.50	-45.97
N#CCOC1=CC=CC(CC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020212050	1	44	-1.0	-52.44	354.04	6.52	-45.92
CC1=CC=C(C2=NC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=CS2)N1C	REAL300020212051	0	46	-1.0	-52.51	364.96	6.64	-45.87
CC1=CC=C(C2=NC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=CS2)N1C	REAL300020212051	1	46	-1.0	-52.47	364.91	6.62	-45.85
CN1C(=O)CCC2=CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=CC=C21	REAL300020212052	0	47	-1.0	-49.90	356.75	6.30	-43.60
CN1C(=O)CCC2=CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=CC=C21	REAL300020212052	1	47	-1.0	-49.90	356.78	6.30	-43.60
CC1=C(CCC(=O)N2CCCCC2CC2=N[N-]N=N2)C=NN1C	REAL300020212053	0	45	-1.0	-48.59	344.80	5.46	-43.13
CC1=C(CCC(=O)N2CCCCC2CC2=NN=N[N-]2)C=NN1C	REAL300020212053	1	45	-1.0	-48.56	344.86	5.47	-43.09
COC1CCC(CC(=O)N2CCCCC2CC2=N[N-]N=N2)CC1	REAL300020212054	0	49	-1.0	-47.91	351.99	5.82	-42.09
COC1CCC(CC(=O)N2CCCCC2CC2=NN=N[N-]2)CC1	REAL300020212054	1	49	-1.0	-47.89	352.02	5.82	-42.07
O=C(C1=CC2=CC(F)=CC=C2N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212055	0	41	-1.0	-47.69	330.01	5.96	-41.73
O=C(C1=CC2=CC(F)=CC=C2N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212055	1	41	-1.0	-47.66	329.96	5.95	-41.71
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C[N@@H+](CCC(=O)N1CCCCC1CC1=N[N-]N=N1)C1CCCCC1	REAL300020212101	1	54	0.0	-57.47	376.81	7.81	-49.66
C[N@H+](CCC(=O)N1CCCCC1CC1=NN=N[N-]1)C1CCCCC1	REAL300020212101	1	54	0.0	-69.45	381.98	7.44	-62.01
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CC(C)(O)C(F)(F)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020212107	0	39	-1.0	-43.08	292.55	2.62	-40.46
CC(C)(O)C(F)(F)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020212107	1	39	-1.0	-43.13	292.60	2.64	-40.49
CC1=CN=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C(O)=C1	REAL300020212108	0	39	-1.0	-53.41	303.29	3.28	-50.13
CC1=CN=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C(O)=C1	REAL300020212108	1	39	-1.0	-53.34	303.34	3.29	-50.05
CC1=CN=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C([O-])=C1	REAL300020212108	1	38	-2.0	-123.19	299.72	4.29	-118.90
CC1=CN=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C([O-])=C1	REAL300020212108	1	38	-2.0	-123.16	299.77	4.29	-118.87
O=C(C1=NOC(COC2=CC=CC=C2F)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212109	0	46	-1.0	-51.34	372.63	6.76	-44.58
O=C(C1=NOC(COC2=CC=CC=C2F)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212109	1	46	-1.0	-51.32	372.69	6.78	-44.54
O=C(C1=CC=NC(OC2CCOC2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212110	0	47	-1.0	-48.89	363.71	2.65	-46.24
O=C(C1=CC=NC(OC2CCOC2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212110	1	47	-1.0	-48.86	363.66	2.64	-46.22
O=C(CCCC1=CC=C(C(F)(F)F)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212111	0	48	-1.0	-50.07	389.60	8.69	-41.38
O=C(CCCC1=CC=C(C(F)(F)F)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212111	1	48	-1.0	-50.01	389.66	8.70	-41.31
CN1N=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1OC(F)F	REAL300020212112	0	40	-1.0	-55.29	323.32	2.68	-52.61
CN1N=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1OC(F)F	REAL300020212112	1	40	-1.0	-55.29	323.27	2.66	-52.63
CC1=CC=C(C(=O)CC(C)(C)CC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020212113	0	56	-1.0	-55.07	407.13	9.61	-45.46
CC1=CC=C(C(=O)CC(C)(C)CC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020212113	1	56	-1.0	-55.05	407.22	9.62	-45.43
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)NN=C1C1=CC=CC=C1	REAL300020212114	0	46	-1.0	-48.88	355.55	6.19	-42.69
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)NN=C1C1=CC=CC=C1	REAL300020212114	1	46	-1.0	-48.88	355.65	6.18	-42.70
N#CC1=CC=C(C(=O)NCC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020212115	0	44	-1.0	-46.65	363.12	4.24	-42.41
N#CC1=CC=C(C(=O)NCC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020212115	1	44	-1.0	-46.63	363.18	4.26	-42.37
O=C(C1=C2C=CC=NN2N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212116	0	38	-1.0	-55.21	300.45	3.50	-51.71
O=C(C1=C2C=CC=NN2N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212116	1	38	-1.0	-55.22	300.35	3.50	-51.72
CC1=CC(C)=NC(=O)N1CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020212117	0	44	-1.0	-63.57	346.63	3.52	-60.05
CC1=CC(C)=NC(=O)N1CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020212117	1	44	-1.0	-63.56	346.69	3.54	-60.02
CC1=C(Br)C=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C(=O)N1	REAL300020212118	0	39	-1.0	-58.70	321.87	3.41	-55.29
CC1=C(Br)C=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C(=O)N1	REAL300020212118	1	39	-1.0	-58.70	321.92	3.41	-55.29
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020212119	0	44	-2.0	-97.85	351.38	2.27	-95.58
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020212119	1	44	-2.0	-97.76	351.27	2.27	-95.49
CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020212119	1	45	-1.0	-43.31	342.46	3.36	-39.95
CCNS(=O)(=O)C1=CC=C(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020212120	0	50	-1.0	-55.33	400.47	3.48	-51.85
CCNS(=O)(=O)C1=CC=C(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020212120	1	50	-1.0	-55.31	400.53	3.48	-51.83
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)OC(C2CC2)=N1	REAL300020212121	0	42	-1.0	-48.20	326.03	3.53	-44.67
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)OC(C2CC2)=N1	REAL300020212121	1	42	-1.0	-48.27	326.09	3.54	-44.73
O=C(CC1=CC=C2COCC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212122	0	44	-1.0	-50.09	343.68	5.34	-44.75
O=C(CC1=CC=C2COCC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212122	1	44	-1.0	-50.13	343.75	5.35	-44.78
CC(CCC(C)(C)C)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020212123	0	50	-1.0	-48.64	354.27	7.07	-41.57
CC(CCC(C)(C)C)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020212123	1	50	-1.0	-48.68	354.33	7.07	-41.61
O=C(C(=O)N1CCCCC1CC1=N[N-]N=N1)C1=CC=C(F)C=C1	REAL300020212124	0	38	-1.0	-50.75	311.21	5.48	-45.27
O=C(C(=O)N1CCCCC1CC1=NN=N[N-]1)C1=CC=C(F)C=C1	REAL300020212124	1	38	-1.0	-50.80	311.26	5.49	-45.31
CNS(=O)(=O)C1=CC=C(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020212125	0	47	-1.0	-55.70	379.43	2.62	-53.08
CNS(=O)(=O)C1=CC=C(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020212125	1	47	-1.0	-55.67	379.49	2.63	-53.04
CC(=CC1=C(Cl)C=CC=C1Cl)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020212126	0	43	-1.0	-51.74	355.10	7.66	-44.08
CC(=CC1=C(Cl)C=CC=C1Cl)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020212126	1	43	-1.0	-51.78	355.13	7.68	-44.10
CC1=NC(C)=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)N=C1C	REAL300020212127	0	43	-1.0	-45.32	331.74	3.64	-41.68
CC1=NC(C)=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)N=C1C	REAL300020212127	1	43	-1.0	-45.29	331.78	3.67	-41.62
CC1=CC(Br)=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020212128	0	39	-1.0	-47.56	320.02	6.60	-40.96
CC1=CC(Br)=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020212128	1	39	-1.0	-47.60	320.06	6.61	-40.99
CC(C(=O)N1CCCCC1CC1=N[N-]N=N1)C1=CC=C([N+](=O)[O-])C=C1F	REAL300020212129	0	44	-1.0	-44.07	350.21	7.58	-36.49
CC(C(=O)N1CCCCC1CC1=NN=N[N-]1)C1=CC=C([N+](=O)[O-])C=C1F	REAL300020212129	1	44	-1.0	-44.09	350.27	7.59	-36.50
CN1N=NC2=CC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C21	REAL300020212130	0	41	-1.0	-49.55	320.45	3.91	-45.64
CN1N=NC2=CC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C21	REAL300020212130	1	41	-1.0	-49.51	320.41	3.90	-45.61
CC(CC(=O)C1=CC=C(Cl)C=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020212131	0	47	-1.0	-45.33	376.18	8.05	-37.28
CC(CC(=O)C1=CC=C(Cl)C=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020212131	1	47	-1.0	-45.35	376.23	8.05	-37.30
CC1(C)CC(CC(=O)N2CCCCC2CC2=N[N-]N=N2)CCO1	REAL300020212132	0	49	-1.0	-46.85	352.63	5.21	-41.64
CC1(C)CC(CC(=O)N2CCCCC2CC2=NN=N[N-]2)CCO1	REAL300020212132	1	49	-1.0	-46.84	352.69	5.22	-41.62
O=C(CC1=CC(Cl)=CC2=C1OCC2)N1CCCCC1CC1=N[N-]N=N1	REAL300020212133	0	44	-1.0	-51.21	355.83	6.85	-44.36
O=C(CC1=CC(Cl)=CC2=C1OCC2)N1CCCCC1CC1=NN=N[N-]1	REAL300020212133	1	44	-1.0	-51.22	355.88	6.87	-44.35
COC1=CC=C(C(=O)CC(C)(C)CC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020212134	0	57	-1.0	-55.95	415.02	8.24	-47.71
COC1=CC=C(C(=O)CC(C)(C)CC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020212134	1	57	-1.0	-55.95	415.12	8.25	-47.70
CC1CCN(C(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)CC1	REAL300020212135	0	46	-1.0	-53.89	344.06	4.56	-49.33
CC1CCN(C(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)CC1	REAL300020212135	1	46	-1.0	-53.89	344.09	4.57	-49.32
CC1CCCN(C(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020212136	0	46	-1.0	-55.23	342.92	4.57	-50.66
CC1CCCN(C(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020212136	1	46	-1.0	-55.26	342.97	4.57	-50.69
O=C(C1=COC(C2CCOCC2)=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212137	0	46	-1.0	-48.05	351.24	2.92	-45.13
O=C(C1=COC(C2CCOCC2)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212137	1	46	-1.0	-48.05	351.29	2.94	-45.11
CN(C)S(=O)(=O)C1=CC=C([O-])C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020212138	0	47	-2.0	-115.52	379.51	2.18	-113.34
CN(C)S(=O)(=O)C1=CC=C([O-])C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020212138	1	47	-2.0	-115.59	379.51	2.22	-113.37
CN(C)S(=O)(=O)C1=CC=C(O)C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020212138	1	48	-1.0	-53.38	383.90	1.22	-52.16
CN(C)S(=O)(=O)C1=CC=C(O)C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020212138	1	48	-1.0	-53.37	383.90	1.23	-52.14
O=C(C1=CC=C(OC2CCCC2)N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020212139	0	49	-1.0	-46.69	372.88	5.21	-41.48
O=C(C1=CC=C(OC2CCCC2)N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020212139	1	49	-1.0	-46.70	372.85	5.20	-41.50
NC(=O)C1=CC=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020212140	0	39	-1.0	-47.91	308.32	1.27	-46.64
NC(=O)C1=CC=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020212140	1	39	-1.0	-47.91	308.27	1.27	-46.64
COC1=CC=C(C(=O)CCCCC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020212141	0	54	-1.0	-49.99	417.01	7.95	-42.04
COC1=CC=C(C(=O)CCCCC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020212141	1	54	-1.0	-49.94	417.06	7.96	-41.98
CC(C)S(=O)(=O)C1=CC=C(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020212142	0	51	-1.0	-58.20	402.64	5.49	-52.71
CC(C)S(=O)(=O)C1=CC=C(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020212142	1	51	-1.0	-58.17	402.70	5.49	-52.68
CC1=CC(Cl)=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1C	REAL300020212143	0	42	-1.0	-50.00	330.09	7.00	-43.00
CC1=CC(Cl)=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1C	REAL300020212143	1	42	-1.0	-49.98	330.08	7.03	-42.95
CC1=CC=C(F)C=C1C(=O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020212144	0	41	-1.0	-46.27	318.71	6.19	-40.08
CC1=CC=C(F)C=C1C(=O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020212144	1	41	-1.0	-46.29	318.76	6.21	-40.08
CC(C)C1CC(CC(=O)N2CCCCC2CC2=N[N-]N=N2)CCO1	REAL300020212145	0	52	-1.0	-47.71	365.11	6.32	-41.39
CC(C)C1CC(CC(=O)N2CCCCC2CC2=NN=N[N-]2)CCO1	REAL300020212145	1	52	-1.0	-47.70	365.14	6.33	-41.37
CC1=C(C(=O)NCC(=O)N2CCCCC2CC2=N[N-]N=N2)C=CO1	REAL300020212146	0	43	-1.0	-47.41	339.30	3.03	-44.38
CC1=C(C(=O)NCC(=O)N2CCCCC2CC2=NN=N[N-]2)C=CO1	REAL300020212146	1	43	-1.0	-47.44	339.34	3.05	-44.39
CCOC1=NC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CO1	REAL300020212147	0	39	-1.0	-46.21	309.23	1.68	-44.53
CCOC1=NC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CO1	REAL300020212147	1	39	-1.0	-46.18	309.17	1.68	-44.50
O=C(CSC1=NN=C2C=CC=CN21)N1CCCCC1CC1=NN=N[N-]1	REAL300020212148	0	42	-1.0	-53.83	346.71	7.47	-46.36
O=C(CSC1=NN=C2C=CC=CN21)N1CCCCC1CC1=N[N-]N=N1	REAL300020212148	1	42	-1.0	-53.83	346.66	7.46	-46.37
CC1=CC=C(C2=CC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)S2)O1	REAL300020212149	0	43	-1.0	-51.61	353.56	7.32	-44.29
CC1=CC=C(C2=CC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)S2)O1	REAL300020212149	1	43	-1.0	-51.66	353.60	7.33	-44.33
CCC1=NN=C(C)C=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020212150	0	43	-1.0	-39.55	331.75	4.93	-34.62
CCC1=NN=C(C)C=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020212150	1	43	-1.0	-39.57	331.78	4.93	-34.64
CCC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C(C)N=N1	REAL300020212151	0	43	-1.0	-46.89	329.43	4.61	-42.28
CCC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C(C)N=N1	REAL300020212151	1	43	-1.0	-46.91	329.48	4.65	-42.26
C[NH+](C)CCN1C(=O)NC2=CC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C21	REAL300020213529	0	55	0.0	-69.14	420.06	6.66	-62.48
C[NH+](C)CCN1C(=O)NC2=CC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C21	REAL300020213529	1	55	0.0	-69.11	420.09	6.67	-62.44
O=C(C1=CC=C(C2=CC=CC=N2)N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213530	0	44	-1.0	-50.51	351.39	5.88	-44.63
O=C(C1=CC=C(C2=CC=CC=N2)N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213530	1	44	-1.0	-50.48	351.43	5.90	-44.58
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)SC(C2=CC=CC=C2F)=N1	REAL300020213531	0	45	-1.0	-55.13	366.34	7.35	-47.78
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)SC(C2=CC=CC=C2F)=N1	REAL300020213531	1	45	-1.0	-55.12	366.27	7.35	-47.77
O=C(C1=CC=CC(N2C=NC=N2)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213532	0	41	-1.0	-47.91	328.36	8.06	-39.85
O=C(C1=CC=CC(N2C=NC=N2)=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213532	1	41	-1.0	-47.96	328.31	8.06	-39.90
O=C(C1=C2N=CSC2=CC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213533	0	38	-1.0	-59.95	307.58	4.68	-55.27
O=C(C1=C2N=CSC2=CC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213533	1	38	-1.0	-59.97	307.53	4.68	-55.29
CS(=O)(=O)C1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CO1	REAL300020213534	0	39	-1.0	-54.49	321.91	1.09	-53.40
CS(=O)(=O)C1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CO1	REAL300020213534	1	39	-1.0	-54.61	321.90	1.10	-53.51
O=C(C1=COC2=CC=C(Cl)C=C12)N1CCCCC1CC1=N[N-]N=N1	REAL300020213535	0	39	-1.0	-57.46	328.07	6.33	-51.13
O=C(C1=COC2=CC=C(Cl)C=C12)N1CCCCC1CC1=NN=N[N-]1	REAL300020213535	1	39	-1.0	-57.09	328.11	6.40	-50.69
O=C(C1=CN(C2=CC=CC=C2)C=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213536	0	43	-1.0	-53.49	335.22	8.57	-44.92
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CC(C)(C)OC(=O)NCC(F)(F)CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020213585	0	52	-1.0	-54.98	401.27	4.29	-50.69
CC(C)(C)OC(=O)NCC(F)(F)CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213585	1	52	-1.0	-54.93	401.32	4.31	-50.62
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CC(C)(C)OC(=O)[C@@H]1CC[C@H](C(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020213587	0	54	-1.0	-58.92	391.88	7.83	-51.09
CC(C)(C)OC(=O)[C@@H]1CC[C@H](C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020213587	1	54	-1.0	-58.92	391.93	7.84	-51.08
CC(C)(C)N1N=NC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020213588	0	43	-1.0	-51.23	332.63	3.77	-47.46
CC(C)(C)N1N=NC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020213588	1	43	-1.0	-51.18	332.58	3.76	-47.42
O=C(CC12CCCCC1C2(F)F)N1CCCCC1CC1=N[N-]N=N1	REAL300020213589	0	46	-1.0	-54.85	339.74	7.28	-47.57
O=C(CC12CCCCC1C2(F)F)N1CCCCC1CC1=NN=N[N-]1	REAL300020213589	1	46	-1.0	-54.90	339.79	7.29	-47.61
CC1=CC(Br)=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1C	REAL300020213590	0	42	-1.0	-40.37	339.61	7.71	-32.66
CC1=CC(Br)=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1C	REAL300020213590	1	42	-1.0	-40.37	339.63	7.71	-32.66
O=C([C@H]1CC[C@H](C2CCC2)CC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213591	0	52	-1.0	-48.41	369.15	8.31	-40.10
O=C([C@H]1CC[C@H](C2CCC2)CC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213591	1	52	-1.0	-48.44	369.20	8.33	-40.11
COC1=CC=C([C@@H]2C[C@H]2CC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020213592	0	50	-1.0	-51.47	380.93	7.88	-43.59
COC1=CC=C([C@@H]2C[C@H]2CC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020213592	1	50	-1.0	-51.47	380.99	7.89	-43.58
O=C(CC1=CC=C(OCC2=CC=CC=C2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213593	0	53	-1.0	-50.68	414.09	9.74	-40.94
O=C(CC1=CC=C(OCC2=CC=CC=C2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213593	1	53	-1.0	-50.69	414.15	9.74	-40.95
O=C(C1=C2C(Cl)=CC=CN2N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213594	0	39	-1.0	-48.38	323.11	5.88	-42.50
O=C(C1=C2C(Cl)=CC=CN2N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213594	1	39	-1.0	-48.35	323.05	5.88	-42.47
COC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1C#N	REAL300020213595	0	41	-1.0	-47.02	329.80	5.11	-41.91
COC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1C#N	REAL300020213595	1	41	-1.0	-47.03	329.84	5.12	-41.91
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=CC(Br)=C1F	REAL300020213596	0	39	-1.0	-36.24	326.36	7.09	-29.15
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=CC(Br)=C1F	REAL300020213596	1	39	-1.0	-36.26	326.40	7.11	-29.15
CC1=CC2=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)N=CN2C=C1	REAL300020213597	0	42	-1.0	-59.20	325.17	8.24	-50.96
CC1=CC2=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)N=CN2C=C1	REAL300020213597	1	42	-1.0	-59.24	325.12	8.24	-51.00
O=C(C1=CC2=NC(Cl)=CC=C2S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213598	0	38	-1.0	-55.24	328.16	5.55	-49.69
O=C(C1=CC2=NC(Cl)=CC=C2S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213598	1	38	-1.0	-55.26	328.11	5.54	-49.72
O=C(C1=CC=C(F)C2=CC=NC=C12)N1CCCCC1CC1=NN=N[N-]1	REAL300020213599	0	41	-1.0	-48.35	323.74	5.98	-42.37
O=C(C1=CC=C(F)C2=CC=NC=C12)N1CCCCC1CC1=N[N-]N=N1	REAL300020213599	1	41	-1.0	-48.35	323.69	5.94	-42.41
O=C(C1=C(Cl)N=C2C=C(Cl)C=CN21)N1CCCCC1CC1=NN=N[N-]1	REAL300020213600	0	39	-1.0	-45.67	343.56	6.89	-38.78
O=C(C1=C(Cl)N=C2C=C(Cl)C=CN21)N1CCCCC1CC1=N[N-]N=N1	REAL300020213600	1	39	-1.0	-45.73	343.51	6.88	-38.85
O=C(CCC1=CSC=C1Br)N1CCCCC1CC1=N[N-]N=N1	REAL300020213601	0	39	-1.0	-48.51	333.60	6.74	-41.77
O=C(CCC1=CSC=C1Br)N1CCCCC1CC1=NN=N[N-]1	REAL300020213601	1	39	-1.0	-48.51	333.65	6.74	-41.77
O=C(CC(N1C=CC=N1)C(F)(F)F)N1CCCCC1CC1=NN=N[N-]1	REAL300020213602	0	42	-1.0	-48.81	332.84	5.16	-43.65
O=C(CC(N1C=CC=N1)C(F)(F)F)N1CCCCC1CC1=N[N-]N=N1	REAL300020213602	1	42	-1.0	-48.74	332.79	5.15	-43.59
N#CC1(CC(=O)N2CCCCC2CC2=N[N-]N=N2)CCCCC1	REAL300020213603	0	46	-1.0	-50.64	332.17	6.50	-44.14
N#CC1(CC(=O)N2CCCCC2CC2=NN=N[N-]2)CCCCC1	REAL300020213603	1	46	-1.0	-50.60	332.20	6.52	-44.08
O=C(C1=C(Cl)N=C2C=CSC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213604	0	38	-1.0	-53.46	317.93	5.22	-48.24
O=C(C1=C(Cl)N=C2C=CSC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213604	1	38	-1.0	-53.46	317.90	5.21	-48.25
O=C(C1CCC(=O)N(C2=CC=CC(F)=C2)C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213605	0	50	-1.0	-50.62	385.31	7.37	-43.25
O=C(C1CCC(=O)N(C2=CC=CC(F)=C2)C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213605	1	50	-1.0	-50.64	385.32	7.38	-43.26
CC1=CC(C=CC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1OC(F)(F)F	REAL300020213606	0	47	-1.0	-47.29	377.63	7.47	-39.82
CC1=CC(C=CC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1OC(F)(F)F	REAL300020213606	1	47	-1.0	-47.27	377.68	7.47	-39.80
COC(=O)C1=CC=C2CCCC(CC(=O)N3CCCCC3CC3=N[N-]N=N3)C2=C1	REAL300020213607	0	55	-1.0	-55.71	415.03	9.17	-46.54
COC(=O)C1=CC=C2CCCC(CC(=O)N3CCCCC3CC3=NN=N[N-]3)C2=C1	REAL300020213607	1	55	-1.0	-55.68	415.06	9.18	-46.50
COC1=NOC(CCC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020213608	0	42	-1.0	-47.23	337.26	2.46	-44.77
COC1=NOC(CCC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020213608	1	42	-1.0	-47.26	337.32	2.48	-44.78
O=C(C1=C2C=CNC2=NC=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213609	0	38	-1.0	-51.09	297.24	5.31	-45.78
O=C(C1=C2C=CNC2=NC=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213609	1	38	-1.0	-51.06	297.30	5.32	-45.74
CN1C=C(C=CC(=O)N2CCCCC2CC2=N[N-]N=N2)N=N1	REAL300020213610	0	39	-1.0	-52.32	312.75	3.52	-48.80
CN1C=C(C=CC(=O)N2CCCCC2CC2=NN=N[N-]2)N=N1	REAL300020213610	1	39	-1.0	-52.32	312.80	3.55	-48.77
CC(C)(C)OC(=O)C1CCC(C(=O)N2CCCCC2CC2=N[N-]N=N2)CC1	REAL300020213611	0	57	-1.0	-49.38	412.60	8.51	-40.87
CC(C)(C)OC(=O)C1CCC(C(=O)N2CCCCC2CC2=NN=N[N-]2)CC1	REAL300020213611	1	57	-1.0	-49.39	412.65	8.53	-40.86
CN1C=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1C1=CC=CC=C1	REAL300020213612	0	47	-1.0	-52.78	352.46	8.51	-44.27
CN1C=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1C1=CC=CC=C1	REAL300020213612	1	47	-1.0	-52.75	352.47	8.52	-44.23
CCCCCC1=NNC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020213613	0	48	-1.0	-46.71	364.56	5.98	-40.73
CCCCCC1=NNC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020213613	1	48	-1.0	-46.74	364.61	5.99	-40.75
CNC1=NC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CS1	REAL300020213614	0	37	-1.0	-50.27	300.65	3.28	-46.99
CNC1=NC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CS1	REAL300020213614	1	37	-1.0	-50.31	300.59	3.26	-47.05
CC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C(C)N1C1CCOCC1	REAL300020213615	0	54	-1.0	-51.83	386.93	6.60	-45.23
CC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C(C)N1C1CCOCC1	REAL300020213615	1	54	-1.0	-51.89	387.07	6.62	-45.27
O=C(C1=CC(C2=CC=C(F)C=C2)=NO1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213616	0	42	-1.0	-44.11	340.97	6.64	-37.47
O=C(C1=CC(C2=CC=C(F)C=C2)=NO1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213616	1	42	-1.0	-44.08	340.92	6.61	-37.47
CC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC(NCC(F)(F)F)=N1	REAL300020213617	0	46	-1.0	-48.16	369.66	5.09	-43.07
CC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC(NCC(F)(F)F)=N1	REAL300020213617	1	46	-1.0	-48.15	369.71	5.10	-43.05
CC1=CC([N+](=O)[O-])=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020213618	0	40	-1.0	-51.27	323.46	5.68	-45.59
CC1=CC([N+](=O)[O-])=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020213618	1	40	-1.0	-51.27	323.50	5.70	-45.57
CC1(C)CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)CC(C)(C)C1	REAL300020213619	0	54	-1.0	-50.37	371.13	7.52	-42.85
CC1(C)CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)CC(C)(C)C1	REAL300020213619	1	54	-1.0	-50.38	371.18	7.55	-42.83
O=C(CN1C=C(C2CC2)C=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213620	0	43	-1.0	-55.25	338.49	5.71	-49.54
O=C(CN1C=C(C2CC2)C=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213620	1	43	-1.0	-55.27	338.44	5.70	-49.57
O=C(C1=CC=CC2=C1COCC2)N1CCCCC1CC1=N[N-]N=N1	REAL300020213621	0	44	-1.0	-50.16	327.64	5.40	-44.76
O=C(C1=CC=CC2=C1COCC2)N1CCCCC1CC1=NN=N[N-]1	REAL300020213621	1	44	-1.0	-50.18	327.67	5.42	-44.76
CC(C)(C)N1N=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1Br	REAL300020213622	0	45	-1.0	-48.23	353.25	5.34	-42.89
CC(C)(C)N1N=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1Br	REAL300020213622	1	45	-1.0	-48.21	353.23	5.32	-42.89
O=C(C1CC2(CC2(F)F)C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213623	0	40	-1.0	-46.32	318.45	5.96	-40.36
O=C(C1CC2(CC2(F)F)C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213623	1	40	-1.0	-46.32	318.51	5.98	-40.34
C[C@@H](C(=O)N1CCCCC1CC1=N[N-]N=N1)N(C)C(=O)OC(C)(C)C	REAL300020213624	0	52	-1.0	-52.15	378.58	5.62	-46.53
C[C@@H](C(=O)N1CCCCC1CC1=NN=N[N-]1)N(C)C(=O)OC(C)(C)C	REAL300020213624	1	52	-1.0	-52.13	378.63	5.64	-46.49
COC(=O)C1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C(C)O1	REAL300020213625	0	42	-1.0	-48.24	336.20	5.11	-43.13
COC(=O)C1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C(C)O1	REAL300020213625	1	42	-1.0	-48.27	336.25	5.13	-43.14
O=C(C(CO)C1=CC=CC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213626	0	43	-1.0	-48.54	325.99	3.46	-45.08
O=C(C(CO)C1=CC=CC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213626	1	43	-1.0	-48.48	326.00	3.47	-45.01
O=C(C1=CC(Cl)=C(Br)C=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213627	0	35	-1.0	-44.83	309.52	5.49	-39.34
O=C(C1=CC(Cl)=C(Br)C=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213627	1	35	-1.0	-44.77	309.46	5.49	-39.28
O=C(C1=C2NC(CO)=NC2=CC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213628	0	43	-1.0	-53.39	335.99	1.62	-51.77
O=C(C1=C2NC(CO)=NC2=CC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213628	1	43	-1.0	-53.33	335.97	1.64	-51.69
CCC1=CNC(CC(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020213629	0	42	-1.0	-56.79	329.88	4.16	-52.63
CCC1=CNC(CC(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020213629	1	42	-1.0	-56.80	329.94	4.18	-52.62
O=C(CC1=CN=CC2=CC=CC=C21)N1CCCCC1CC1=NN=N[N-]1	REAL300020213630	0	44	-1.0	-48.79	341.08	6.81	-41.98
O=C(CC1=CN=CC2=CC=CC=C21)N1CCCCC1CC1=N[N-]N=N1	REAL300020213630	1	44	-1.0	-48.80	341.03	6.80	-42.00
CC(=CC(=O)N1CCCCC1CC1=N[N-]N=N1)CN1CCOCC1	REAL300020213631	0	49	-1.0	-41.16	351.48	2.98	-38.18
CC(=CC(=O)N1CCCCC1CC1=NN=N[N-]1)CN1CCOCC1	REAL300020213631	1	49	-1.0	-41.15	351.54	2.99	-38.16
O=C(C1=NN=C(C2=CC=CO2)O1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213632	0	38	-1.0	-51.47	312.08	0.50	-50.97
O=C(C1=NN=C(C2=CC=CO2)O1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213632	1	38	-1.0	-51.50	312.13	0.52	-50.98
O=C(C1=CC=CC2=C1OC(F)(F)O2)N1CCCCC1CC1=N[N-]N=N1	REAL300020213633	0	39	-1.0	-61.36	316.27	4.31	-57.05
O=C(C1=CC=CC2=C1OC(F)(F)O2)N1CCCCC1CC1=NN=N[N-]1	REAL300020213633	1	39	-1.0	-61.38	316.32	4.32	-57.06
CN(C)C1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC(C(F)(F)F)=C1	REAL300020213634	0	47	-1.0	-48.14	367.53	6.71	-41.43
CN(C)C1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC(C(F)(F)F)=C1	REAL300020213634	1	47	-1.0	-48.09	367.57	6.72	-41.37
O=C(C1=CC=CC(SC(F)(F)F)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213635	0	40	-1.0	-45.78	336.37	6.84	-38.94
O=C(C1=CC=CC(SC(F)(F)F)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213635	1	40	-1.0	-45.81	336.40	6.82	-38.99
CC1=C(CC(=O)N2CCCCC2CC2=N[N-]N=N2)SC(SCC(C)C)=N1	REAL300020213636	0	51	-1.0	-49.08	412.86	7.68	-41.40
CC1=C(CC(=O)N2CCCCC2CC2=NN=N[N-]2)SC(SCC(C)C)=N1	REAL300020213636	1	51	-1.0	-49.05	412.91	7.68	-41.37
O=C(C1=NN2C=CC=NC2=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213637	0	37	-1.0	-62.08	296.72	6.41	-55.67
O=C(C1=NN2C=CC=NC2=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213637	1	37	-1.0	-62.11	296.66	6.40	-55.71
CC(=CC(=O)N1CCCCC1CC1=N[N-]N=N1)C1=CC=CO1	REAL300020213638	0	40	-1.0	-46.37	308.48	5.89	-40.48
CC(=CC(=O)N1CCCCC1CC1=NN=N[N-]1)C1=CC=CO1	REAL300020213638	1	40	-1.0	-46.34	308.52	5.90	-40.44
COC1=CC=CC=C1C(F)(F)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020213639	0	43	-1.0	-48.52	331.53	5.72	-42.80
COC1=CC=CC=C1C(F)(F)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213639	1	43	-1.0	-48.50	331.64	5.74	-42.76
CC1=NNC2=CC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C12	REAL300020213640	0	42	-1.0	-48.78	328.71	4.70	-44.08
CC1=NNC2=CC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C12	REAL300020213640	1	42	-1.0	-48.79	328.75	4.70	-44.09
NC(=O)N=NC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020213641	0	42	-1.0	-51.18	339.28	0.48	-50.70
NC(=O)N=NC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020213641	1	42	-1.0	-51.19	339.28	0.50	-50.69
O=C(C1=CNC(=S)N1C1CC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213642	0	41	-1.0	-54.36	319.99	5.49	-48.87
O=C(C1=CNC(=S)N1C1CC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213642	1	41	-1.0	-54.39	320.04	5.51	-48.88
O=C(C=CC1=CC=C(C2OCCO2)O1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213643	0	46	-1.0	-51.49	364.42	5.15	-46.34
O=C(C=CC1=CC=C(C2OCCO2)O1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213643	1	46	-1.0	-51.49	364.47	5.17	-46.32
O=C(C1=COC(C2=CC=CN=C2)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213644	0	41	-1.0	-48.58	330.61	3.39	-45.19
O=C(C1=COC(C2=CC=CN=C2)=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213644	1	41	-1.0	-48.65	330.55	3.38	-45.27
CC1=CC=NC=C1CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020213645	0	41	-1.0	-49.84	320.01	4.81	-45.03
CC1=CC=NC=C1CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213645	1	41	-1.0	-49.84	320.07	4.81	-45.03
O=C(CC1=CC=C(NC(=O)C(F)(F)F)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213646	0	46	-1.0	-46.81	378.02	5.77	-41.04
O=C(CC1=CC=C(NC(=O)C(F)(F)F)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213646	1	46	-1.0	-46.81	378.08	5.77	-41.04
COCCCN1N=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=CC1=O	REAL300020213647	0	48	-1.0	-49.64	376.21	3.74	-45.90
COCCCN1N=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=CC1=O	REAL300020213647	1	48	-1.0	-49.69	376.27	3.74	-45.95
CC(C)(C)N1C=C(Br)C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020213648	0	45	-1.0	-51.79	360.38	6.40	-45.39
CC(C)(C)N1C=C(Br)C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020213648	1	45	-1.0	-51.77	360.33	6.38	-45.39
O=C(C1=C2C=CSC2=NC=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213649	0	37	-1.0	-48.71	305.21	5.26	-43.45
O=C(C1=C2C=CSC2=NC=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213649	1	37	-1.0	-48.70	305.17	5.23	-43.47
O=C(C1=CC=NN1C(F)F)N1CCCCC1CC1=NN=N[N-]1	REAL300020213650	0	36	-1.0	-53.50	289.87	3.41	-50.09
O=C(C1=CC=NN1C(F)F)N1CCCCC1CC1=N[N-]N=N1	REAL300020213650	1	36	-1.0	-53.58	289.55	3.39	-50.19
CN1C(=O)C(C)(C)C2=CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=CC=C21	REAL300020213651	0	50	-1.0	-48.57	384.07	6.86	-41.71
CN1C(=O)C(C)(C)C2=CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=CC=C21	REAL300020213651	1	50	-1.0	-48.60	384.10	6.88	-41.72
CC1=NN(C(C)CC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020213652	0	45	-1.0	-44.00	339.46	5.61	-38.39
CC1=NN(C(C)CC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020213652	1	45	-1.0	-44.06	339.49	5.62	-38.44
O=C(CCCC1=CC=CN=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213653	0	44	-1.0	-51.97	341.05	6.32	-45.65
O=C(CCCC1=CC=CN=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213653	1	44	-1.0	-51.92	341.00	6.30	-45.62
O=C(C1=CC=C(CF)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213654	0	39	-1.0	-50.57	306.14	6.14	-44.43
O=C(C1=CC=C(CF)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213654	1	39	-1.0	-50.57	306.13	6.15	-44.42
COC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1C(F)(F)F	REAL300020213655	0	43	-1.0	-46.11	347.00	5.77	-40.34
COC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1C(F)(F)F	REAL300020213655	1	43	-1.0	-46.08	347.03	5.78	-40.30
COC(C(=O)N1CCCCC1CC1=N[N-]N=N1)C1CCOC1	REAL300020213656	0	44	-1.0	-39.74	319.61	3.46	-36.28
COC(C(=O)N1CCCCC1CC1=NN=N[N-]1)C1CCOC1	REAL300020213656	1	44	-1.0	-39.70	319.65	3.47	-36.23
CC(C)(C)N1N=NC(CC(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020213657	0	46	-1.0	-54.71	361.29	3.67	-51.04
CC(C)(C)N1N=NC(CC(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020213657	1	46	-1.0	-54.71	361.35	3.69	-51.02
O=C(C1=CC=C2COCCC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213658	0	44	-1.0	-50.38	333.70	5.48	-44.90
O=C(C1=CC=C2COCCC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213658	1	44	-1.0	-50.41	333.73	5.50	-44.91
COCCCOCCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020213659	0	46	-1.0	-47.59	353.96	3.43	-44.16
COCCCOCCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213659	1	46	-1.0	-47.62	354.01	3.44	-44.18
O=C(C1=CC2=CC(Cl)=CC=C2S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213660	0	39	-1.0	-47.50	334.45	7.22	-40.28
O=C(C1=CC2=CC(Cl)=CC=C2S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213660	1	39	-1.0	-47.50	334.50	7.24	-40.26
COC1=CC=C([C@@H]2C[C@H]2C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020213661	0	47	-1.0	-49.48	359.65	7.04	-42.44
COC1=CC=C([C@@H]2C[C@H]2C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020213661	1	47	-1.0	-49.51	359.71	7.05	-42.46
O=C(C1=CC=CO1)C1=CC=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020213662	0	45	-1.0	-50.17	359.55	7.01	-43.16
O=C(C1=CC=CO1)C1=CC=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020213662	1	45	-1.0	-50.20	359.59	7.02	-43.18
O=C(CC1=CC=C(C2CCCCC2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213663	0	55	-1.0	-49.07	404.69	10.26	-38.81
O=C(CC1=CC=C(C2CCCCC2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213663	1	55	-1.0	-49.06	404.72	10.27	-38.79
COCC1=CN=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020213664	0	42	-1.0	-50.75	332.20	3.46	-47.29
COCC1=CN=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020213664	1	42	-1.0	-50.73	332.15	3.44	-47.29
CN(C)C(=O)C1CCC(C(=O)N2CCCCC2CC2=N[N-]N=N2)CC1	REAL300020213665	0	52	-1.0	-63.40	366.06	5.60	-57.80
CN(C)C(=O)C1CCC(C(=O)N2CCCCC2CC2=NN=N[N-]2)CC1	REAL300020213665	1	52	-1.0	-63.38	366.06	5.61	-57.77
CC1=C(Br)C=NC=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020213666	0	38	-1.0	-45.21	311.26	4.73	-40.48
CC1=C(Br)C=NC=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213666	1	38	-1.0	-45.22	311.31	4.74	-40.48
CC(C)N1C(=O)NC2=CC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C21	REAL300020213667	0	49	-1.0	-49.88	376.90	5.81	-44.07
CC(C)N1C(=O)NC2=CC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C21	REAL300020213667	1	49	-1.0	-49.86	376.94	5.83	-44.03
O=C(CC1=C(Cl)C=CC=C1Br)N1CCCCC1CC1=N[N-]N=N1	REAL300020213668	0	39	-1.0	-45.89	335.25	7.39	-38.50
O=C(CC1=C(Cl)C=CC=C1Br)N1CCCCC1CC1=NN=N[N-]1	REAL300020213668	1	39	-1.0	-45.90	335.31	7.40	-38.50
COC1=CC=CC(CC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1Cl	REAL300020213669	0	43	-1.0	-50.23	349.93	5.95	-44.28
COC1=CC=CC(CC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1Cl	REAL300020213669	1	43	-1.0	-50.21	349.99	5.97	-44.24
O=C(C1=CN=C2CCCN12)N1CCCCC1CC1=N[N-]N=N1	REAL300020213670	0	40	-1.0	-57.66	298.13	5.17	-52.49
O=C(C1=CN=C2CCCN12)N1CCCCC1CC1=NN=N[N-]1	REAL300020213670	1	40	-1.0	-57.66	298.30	5.17	-52.49
CC1=NC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C(N)=N1	REAL300020213671	0	39	-1.0	-46.58	303.31	2.30	-44.28
CC1=NC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C(N)=N1	REAL300020213671	1	39	-1.0	-46.59	303.36	2.31	-44.28
CCC(C(=O)N1CCCCC1CC1=N[N-]N=N1)N(C)C(=O)OC(C)(C)C	REAL300020213672	0	55	-1.0	-53.11	398.76	6.46	-46.65
CCC(C(=O)N1CCCCC1CC1=NN=N[N-]1)N(C)C(=O)OC(C)(C)C	REAL300020213672	1	55	-1.0	-53.11	398.84	6.47	-46.64
O=C(CCC1CC1(Cl)Cl)N1CCCCC1CC1=N[N-]N=N1	REAL300020213673	0	39	-1.0	-47.94	332.51	6.45	-41.49
O=C(CCC1CC1(Cl)Cl)N1CCCCC1CC1=NN=N[N-]1	REAL300020213673	1	39	-1.0	-47.90	332.57	6.46	-41.44
O=C(C(CC1COCCO1)C(F)(F)F)N1CCCCC1CC1=N[N-]N=N1	REAL300020213674	0	47	-1.0	-50.33	354.71	4.46	-45.87
O=C(C(CC1COCCO1)C(F)(F)F)N1CCCCC1CC1=NN=N[N-]1	REAL300020213674	1	47	-1.0	-50.34	354.75	4.47	-45.87
CC(C)C[C@H](NCC(F)(F)F)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020213675	0	49	-1.0	-47.23	365.86	4.74	-42.49
CC(C)C[C@H](NCC(F)(F)F)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213675	1	49	-1.0	-47.18	365.92	4.77	-42.41
CC(C)(C)OC(=O)N1CC[C@H](CC(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020213676	0	56	-1.0	-58.44	417.17	6.21	-52.23
CC(C)(C)OC(=O)N1CC[C@H](CC(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020213676	1	56	-1.0	-58.41	417.23	6.22	-52.19
O=C(CC1=CC=C(Br)C=C1F)N1CCCCC1CC1=N[N-]N=N1	REAL300020213677	0	39	-1.0	-48.93	334.47	6.71	-42.22
O=C(CC1=CC=C(Br)C=C1F)N1CCCCC1CC1=NN=N[N-]1	REAL300020213677	1	39	-1.0	-48.98	334.53	6.72	-42.26
O=C(C1=CC(N2C=CN=N2)=CC=C1F)N1CCCCC1CC1=NN=N[N-]1	REAL300020213678	0	42	-1.0	-59.70	335.89	5.32	-54.38
O=C(C1=CC(N2C=CN=N2)=CC=C1F)N1CCCCC1CC1=N[N-]N=N1	REAL300020213678	1	42	-1.0	-59.73	335.86	5.30	-54.43
CC(C)N(CC(=O)N1CCCCC1CC1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL300020213679	0	55	-1.0	-57.22	401.92	7.05	-50.17
CC(C)N(CC(=O)N1CCCCC1CC1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL300020213679	1	55	-1.0	-57.24	401.97	7.05	-50.19
CC(=O)C1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1OC(C)C	REAL300020213680	0	51	-1.0	-49.86	390.03	7.99	-41.87
CC(=O)C1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1OC(C)C	REAL300020213680	1	51	-1.0	-49.85	390.06	8.01	-41.84
NC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=NN1CC1=CC=CC=C1	REAL300020213681	0	48	-1.0	-47.08	376.40	6.23	-40.85
NC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=NN1CC1=CC=CC=C1	REAL300020213681	1	48	-1.0	-47.17	376.27	6.21	-40.96
O=C(C1=C2CCCCN2C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213682	0	44	-1.0	-55.14	327.37	6.42	-48.72
O=C(C1=C2CCCCN2C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213682	1	44	-1.0	-55.11	327.41	6.42	-48.69
CC1=CC=NC(NC2=CC=CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=C2)=N1	REAL300020213683	0	49	-1.0	-53.17	383.50	8.60	-44.57
CC1=CC=NC(NC2=CC=CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=C2)=N1	REAL300020213683	1	49	-1.0	-53.14	383.46	8.60	-44.54
CCNC1=NC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020213684	0	40	-1.0	-49.70	322.51	3.27	-46.43
CCNC1=NC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020213684	1	40	-1.0	-49.66	322.46	3.25	-46.41
O=C(C1=CC=C(C2CC2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213685	0	43	-1.0	-49.05	327.33	7.42	-41.63
O=C(C1=CC=C(C2CC2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213685	1	43	-1.0	-49.09	327.33	7.44	-41.65
COC(C(=O)N1CCCCC1CC1=N[N-]N=N1)C1CCCC1	REAL300020213686	0	46	-1.0	-48.98	335.39	5.75	-43.23
COC(C(=O)N1CCCCC1CC1=NN=N[N-]1)C1CCCC1	REAL300020213686	1	46	-1.0	-48.97	335.45	5.77	-43.20
CC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020213687	0	46	-1.0	-47.49	353.33	7.90	-39.59
CC1=CC=CC=C1[C@@H]1C[C@H]1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213687	1	46	-1.0	-47.49	353.39	7.93	-39.56
O=C(C1CC2=CC=CC=C2CO1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213688	0	44	-1.0	-49.67	336.18	6.22	-43.45
O=C(C1CC2=CC=CC=C2CO1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213688	1	44	-1.0	-49.67	336.24	6.23	-43.44
COC(C(=O)N1CCCCC1CC1=N[N-]N=N1)C1CCCCC1	REAL300020213689	0	49	-1.0	-48.88	351.15	6.38	-42.50
COC(C(=O)N1CCCCC1CC1=NN=N[N-]1)C1CCCCC1	REAL300020213689	1	49	-1.0	-48.90	351.18	6.39	-42.51
CC(CC1=CC=CO1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020213690	0	42	-1.0	-47.36	319.48	5.64	-41.72
CC(CC1=CC=CO1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213690	1	42	-1.0	-47.38	319.54	5.65	-41.73
CC1CC2=CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=CC=C2O1	REAL300020213691	0	44	-1.0	-49.24	336.95	6.01	-43.23
CC1CC2=CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=CC=C2O1	REAL300020213691	1	44	-1.0	-49.24	336.98	6.02	-43.22
O=C(C1CC2(C1)CCCCC2)N1CCCCC1CC1=N[N-]N=N1	REAL300020213692	0	49	-1.0	-46.63	352.26	7.31	-39.32
O=C(C1CC2(C1)CCCCC2)N1CCCCC1CC1=NN=N[N-]1	REAL300020213692	1	49	-1.0	-46.60	352.32	7.33	-39.27
O=C(C1=CC(Cl)=CC2=CC=CC=C21)N1CCCCC1CC1=N[N-]N=N1	REAL300020213693	0	42	-1.0	-50.09	339.65	8.19	-41.90
O=C(C1=CC(Cl)=CC2=CC=CC=C21)N1CCCCC1CC1=NN=N[N-]1	REAL300020213693	1	42	-1.0	-50.05	339.70	8.23	-41.82
O=C(C1=CC=CN2C=C(C(F)(F)F)N=C12)N1CCCCC1CC1=NN=N[N-]1	REAL300020213694	0	42	-1.0	-60.16	344.40	7.13	-53.03
O=C(C1=CC=CN2C=C(C(F)(F)F)N=C12)N1CCCCC1CC1=N[N-]N=N1	REAL300020213694	1	42	-1.0	-60.19	344.36	7.12	-53.07
CC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C(C)N1C1=CN(C)N=C1	REAL300020213695	0	50	-1.0	-54.66	385.69	6.75	-47.91
CC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C(C)N1C1=CN(C)N=C1	REAL300020213695	1	50	-1.0	-54.65	385.65	6.76	-47.89
CC1=NC(C2=CC=CS2)=C(CC(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020213696	0	45	-1.0	-49.60	367.09	6.94	-42.66
CC1=NC(C2=CC=CS2)=C(CC(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020213696	1	45	-1.0	-49.60	367.07	6.93	-42.67
COCC1=CSC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020213697	0	40	-1.0	-48.47	325.84	4.11	-44.36
COCC1=CSC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020213697	1	40	-1.0	-48.48	325.90	4.09	-44.39
CC(CC(=O)N1CCCCC1CC1=N[N-]N=N1)C1CCCO1	REAL300020213698	0	46	-1.0	-45.58	337.93	4.72	-40.86
CC(CC(=O)N1CCCCC1CC1=NN=N[N-]1)C1CCCO1	REAL300020213698	1	46	-1.0	-45.55	337.99	4.75	-40.80
O=C(C1=CC=C(NC2=[NH+]CCC2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213699	0	49	0.0	-65.76	366.20	6.04	-59.72
O=C(C1=CC=C(NC2=[NH+]CCC2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213699	1	49	0.0	-65.79	366.13	6.04	-59.75
O=C(C1=CC=CC(NCC2=CC=CC=N2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213700	0	50	-1.0	-52.53	393.66	6.33	-46.20
O=C(C1=CC=CC(NCC2=CC=CC=N2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213700	1	50	-1.0	-52.48	393.62	6.31	-46.17
NC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC(Br)=N1	REAL300020213701	0	37	-1.0	-47.52	313.59	3.04	-44.48
NC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC(Br)=N1	REAL300020213701	1	37	-1.0	-47.55	313.54	3.03	-44.52
O=C(C1=NOC2=C1COCC2)N1CCCCC1CC1=N[N-]N=N1	REAL300020213702	0	40	-1.0	-48.63	307.56	3.64	-44.99
O=C(C1=NOC2=C1COCC2)N1CCCCC1CC1=NN=N[N-]1	REAL300020213702	1	40	-1.0	-48.62	307.62	3.64	-44.98
CC1=CN2C=CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=CC2=N1	REAL300020213703	0	42	-1.0	-52.11	330.75	6.73	-45.38
CC1=CN2C=CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=CC2=N1	REAL300020213703	1	42	-1.0	-52.16	330.78	6.74	-45.42
O=C(C1=CN(C2CC2)N=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213704	0	39	-1.0	-48.19	306.42	3.85	-44.34
O=C(C1=CN(C2CC2)N=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213704	1	39	-1.0	-48.16	306.37	3.84	-44.32
COC1=CC(OC)=C2C(=O)C(C(=O)N3CCCCC3CC3=N[N-]N=N3)=CNC2=C1	REAL300020213705	0	50	-1.0	-66.87	385.39	5.06	-61.81
COC1=CC(OC)=C2C(=O)C(C(=O)N3CCCCC3CC3=NN=N[N-]3)=CNC2=C1	REAL300020213705	1	50	-1.0	-66.87	385.44	5.09	-61.78
O=C(CC1NC(=O)C2=CC=CC=C21)N1CCCCC1CC1=N[N-]N=N1	REAL300020213706	0	44	-1.0	-54.78	347.50	3.85	-50.93
O=C(CC1NC(=O)C2=CC=CC=C21)N1CCCCC1CC1=NN=N[N-]1	REAL300020213706	1	44	-1.0	-54.77	347.56	3.86	-50.91
CNC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1F	REAL300020213707	0	41	-1.0	-49.08	320.18	4.27	-44.81
CNC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1F	REAL300020213707	1	41	-1.0	-49.11	320.21	4.28	-44.83
CC(C(=O)N1CCCCC1CC1=N[N-]N=N1)C(O)CN(C)C(=O)OC(C)(C)C	REAL300020213708	0	59	-1.0	-53.27	433.13	4.36	-48.91
CC(C(=O)N1CCCCC1CC1=NN=N[N-]1)C(O)CN(C)C(=O)OC(C)(C)C	REAL300020213708	1	59	-1.0	-53.18	433.18	4.37	-48.81
O=C(C1CCC2C(C1)C2(F)F)N1CCCCC1CC1=N[N-]N=N1	REAL300020213709	0	43	-1.0	-50.47	321.14	5.97	-44.50
O=C(C1CCC2C(C1)C2(F)F)N1CCCCC1CC1=NN=N[N-]1	REAL300020213709	1	43	-1.0	-50.44	321.20	5.98	-44.46
CS(=O)(=O)N1CCC[C@H](C(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020213710	0	47	-1.0	-55.42	355.25	2.21	-53.21
CS(=O)(=O)N1CCC[C@H](C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020213710	1	47	-1.0	-55.45	355.29	2.22	-53.23
COC1=CC=C(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1OC(F)F	REAL300020213711	0	47	-1.0	-57.29	371.78	5.98	-51.31
COC1=CC=C(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1OC(F)F	REAL300020213711	1	47	-1.0	-57.31	371.83	6.00	-51.31
CC1=CC=CC(CC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1Br	REAL300020213712	0	42	-1.0	-47.31	339.68	7.58	-39.73
CC1=CC=CC(CC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1Br	REAL300020213712	1	42	-1.0	-47.26	339.73	7.59	-39.67
O=C(C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1)N1CCOCC1	REAL300020213713	0	51	-1.0	-51.43	381.53	4.81	-46.62
O=C(C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1)N1CCOCC1	REAL300020213713	1	51	-1.0	-51.43	381.57	4.81	-46.62
O=C(C1=CC=C(CN2C=CN=N2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213714	0	45	-1.0	-60.45	357.39	5.83	-54.62
O=C(C1=CC=C(CN2C=CN=N2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213714	1	45	-1.0	-60.48	357.35	5.80	-54.68
CC1=CC(CC(=O)N2CCCCC2CC2=N[N-]N=N2)=NC=C1Cl	REAL300020213715	0	41	-1.0	-52.17	336.95	5.53	-46.64
CC1=CC(CC(=O)N2CCCCC2CC2=NN=N[N-]2)=NC=C1Cl	REAL300020213715	1	41	-1.0	-52.14	337.01	5.54	-46.60
NC1=C(Cl)C=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1Cl	REAL300020213716	0	38	-1.0	-45.92	323.80	4.43	-41.49
NC1=C(Cl)C=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1Cl	REAL300020213716	1	38	-1.0	-45.91	323.84	4.44	-41.47
O=C(C1=CC(C(F)(F)F)=CC=C1Cl)N1CCCCC1CC1=N[N-]N=N1	REAL300020213717	0	39	-1.0	-46.68	330.43	6.81	-39.87
O=C(C1=CC(C(F)(F)F)=CC=C1Cl)N1CCCCC1CC1=NN=N[N-]1	REAL300020213717	1	39	-1.0	-46.67	330.41	6.83	-39.84
CCN1C(=O)NC2=CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=CC=C21	REAL300020213718	0	46	-1.0	-50.07	359.91	5.19	-44.88
CCN1C(=O)NC2=CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=CC=C21	REAL300020213718	1	46	-1.0	-50.09	359.95	5.21	-44.88
O=C(C1=CC=C2NC(=O)N(C3CC3)C2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213719	0	47	-1.0	-49.45	364.98	5.87	-43.58
O=C(C1=CC=C2NC(=O)N(C3CC3)C2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213719	1	47	-1.0	-49.43	365.01	5.86	-43.57
CC(C)(C)O[C@@H]1C[C@H]1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020213720	0	46	-1.0	-44.88	347.75	4.98	-39.90
CC(C)(C)O[C@@H]1C[C@H]1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213720	1	46	-1.0	-44.90	347.82	4.99	-39.91
COC(=O)N1CCC(C(=O)N2CCCCC2CC2=N[N-]N=N2)CC1	REAL300020213721	0	47	-1.0	-55.61	349.75	4.44	-51.17
COC(=O)N1CCC(C(=O)N2CCCCC2CC2=NN=N[N-]2)CC1	REAL300020213721	1	47	-1.0	-55.59	349.80	4.44	-51.15
O=C(CCC1=CC=CN=C1Cl)N1CCCCC1CC1=NN=N[N-]1	REAL300020213722	0	41	-1.0	-47.09	331.94	5.79	-41.30
O=C(CCC1=CC=CN=C1Cl)N1CCCCC1CC1=N[N-]N=N1	REAL300020213722	1	41	-1.0	-47.07	331.90	5.78	-41.29
CC(C)(C)OC(=O)N1CCCCC(C(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020213723	0	59	-1.0	-47.39	420.48	7.59	-39.80
CC(C)(C)OC(=O)N1CCCCC(C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020213723	1	59	-1.0	-47.41	420.52	7.60	-39.81
CC(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020213724	0	59	-1.0	-49.72	438.76	4.05	-45.67
CC(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213724	1	59	-1.0	-49.67	438.81	4.06	-45.61
CS(=O)(=O)C1=CC=C(C=CC(=O)N2CCCCC2CC2=N[N-]N=N2)O1	REAL300020213725	0	43	-1.0	-56.40	357.82	2.70	-53.70
CS(=O)(=O)C1=CC=C(C=CC(=O)N2CCCCC2CC2=NN=N[N-]2)O1	REAL300020213725	1	43	-1.0	-56.41	357.88	2.71	-53.70
O=C(C1=CC(Br)=CNC1=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020213726	0	36	-1.0	-54.04	299.28	2.55	-51.49
O=C(C1=CC(Br)=CNC1=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213726	1	36	-1.0	-54.06	299.33	2.57	-51.49
O=C(C1=CN=C2CCCCCN12)N1CCCCC1CC1=N[N-]N=N1	REAL300020213727	0	46	-1.0	-43.99	335.29	6.06	-37.93
O=C(C1=CN=C2CCCCCN12)N1CCCCC1CC1=NN=N[N-]1	REAL300020213727	1	46	-1.0	-43.99	335.29	6.07	-37.92
O=C(C1=CC2=C(C=CC3=C2C=CC=C3)O1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213728	0	45	-1.0	-52.84	353.33	8.38	-44.46
O=C(C1=CC2=C(C=CC3=C2C=CC=C3)O1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213728	1	45	-1.0	-52.83	353.38	8.38	-44.45
CC1=C(S(C)(=O)=O)C=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)O1	REAL300020213729	0	42	-1.0	-63.19	340.91	2.02	-61.17
CC1=C(S(C)(=O)=O)C=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)O1	REAL300020213729	1	42	-1.0	-63.25	340.96	2.04	-61.21
O=C(C1=CC2=CSC=C2S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213730	0	36	-1.0	-50.40	305.92	5.64	-44.76
O=C(C1=CC2=CSC=C2S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213730	1	36	-1.0	-50.35	305.98	5.65	-44.70
CC1=CC=CC=C1CC(C)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020213731	0	48	-1.0	-48.90	352.97	8.01	-40.89
CC1=CC=CC=C1CC(C)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213731	1	48	-1.0	-48.90	353.03	8.02	-40.88
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)OC(C(F)F)=C1	REAL300020213732	0	39	-1.0	-46.81	312.63	5.54	-41.27
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)OC(C(F)F)=C1	REAL300020213732	1	39	-1.0	-46.80	312.68	5.57	-41.23
O=C(C1C2CC3=C(Cl)C=CC=C3C21)N1CCCCC1CC1=N[N-]N=N1	REAL300020213733	0	44	-1.0	-51.36	350.46	8.29	-43.07
O=C(C1C2CC3=C(Cl)C=CC=C3C21)N1CCCCC1CC1=NN=N[N-]1	REAL300020213733	1	44	-1.0	-51.37	350.52	8.31	-43.06
O=C([C@@H]1C[C@H]1C1=CC=CC(Cl)=C1Cl)N1CCCCC1CC1=N[N-]N=N1	REAL300020213734	0	43	-1.0	-52.40	364.41	8.25	-44.15
O=C([C@@H]1C[C@H]1C1=CC=CC(Cl)=C1Cl)N1CCCCC1CC1=NN=N[N-]1	REAL300020213734	1	43	-1.0	-52.39	364.47	8.25	-44.14
CC1=CC=C2OC=C(CC(=O)N3CCCCC3CC3=N[N-]N=N3)C2=C1	REAL300020213735	0	45	-1.0	-52.58	352.59	7.51	-45.07
CC1=CC=C2OC=C(CC(=O)N3CCCCC3CC3=NN=N[N-]3)C2=C1	REAL300020213735	1	45	-1.0	-52.60	352.64	7.54	-45.06
COC(C(=O)N1CCCCC1CC1=N[N-]N=N1)C1=CC=C(F)C=C1	REAL300020213736	0	43	-1.0	-53.87	337.74	6.08	-47.79
COC(C(=O)N1CCCCC1CC1=NN=N[N-]1)C1=CC=C(F)C=C1	REAL300020213736	1	43	-1.0	-53.88	337.76	6.09	-47.79
CCCC(C(=O)N1CCCCC1CC1=N[N-]N=N1)C1=CC=CC(Cl)=C1	REAL300020213737	0	48	-1.0	-43.55	356.80	8.67	-34.88
CCCC(C(=O)N1CCCCC1CC1=NN=N[N-]1)C1=CC=CC(Cl)=C1	REAL300020213737	1	48	-1.0	-43.55	356.85	8.66	-34.89
CC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C(C)N1C1=NN(C)C=C1	REAL300020213738	0	50	-1.0	-60.43	382.87	7.73	-52.70
CC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C(C)N1C1=NN(C)C=C1	REAL300020213738	1	50	-1.0	-60.45	382.84	7.71	-52.74
CC(C)C1=NC=CN1CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020213739	0	45	-1.0	-53.31	350.30	5.88	-47.43
CC(C)C1=NC=CN1CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213739	1	45	-1.0	-53.30	350.37	5.89	-47.41
CC(C)C1=[NH+]C=CN1CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213739	1	46	0.0	-59.77	349.11	6.47	-53.30
O=C(C1CN(C2CCOC2)C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213740	0	46	-1.0	-46.85	345.02	1.11	-45.74
O=C(C1C[NH+](C2CCOC2)C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213740	1	47	0.0	-74.31	349.12	4.12	-70.19
O=C(C1CN(C2CCOC2)C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213740	1	46	-1.0	-46.85	345.08	1.14	-45.71
O=C(CC1=CC=C(N2C=CN=C2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213741	0	46	-1.0	-51.78	363.68	8.43	-43.35
O=C(CC1=CC=C(N2C=CN=C2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213741	1	46	-1.0	-51.77	363.74	8.43	-43.34
O=C(CN1CSCCSC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213742	0	43	-1.0	-49.99	337.91	4.27	-45.72
O=C(CN1CSCCSC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213742	1	43	-1.0	-49.99	337.96	4.27	-45.72
O=C(CCC(=O)N1CCCCC1CC1=N[N-]N=N1)C1=C(F)C=CC=C1F	REAL300020213743	0	44	-1.0	-51.61	351.98	7.12	-44.49
O=C(CCC(=O)N1CCCCC1CC1=NN=N[N-]1)C1=C(F)C=CC=C1F	REAL300020213743	1	44	-1.0	-51.62	352.03	7.12	-44.50
O=C(C1=CN=C2COCCN12)N1CCCCC1CC1=N[N-]N=N1	REAL300020213744	0	41	-1.0	-45.16	313.52	3.36	-41.80
O=C(C1=CN=C2COCCN12)N1CCCCC1CC1=NN=N[N-]1	REAL300020213744	1	41	-1.0	-45.16	313.53	3.37	-41.79
N#CC1(CC(=O)N2CCCCC2CC2=N[N-]N=N2)CCOCC1	REAL300020213745	0	44	-1.0	-55.62	331.15	3.83	-51.79
N#CC1(CC(=O)N2CCCCC2CC2=NN=N[N-]2)CCOCC1	REAL300020213745	1	44	-1.0	-55.65	331.21	3.85	-51.80
O=C(CN1CCC(C2=CC=CC=C2)NC1=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020213746	0	52	-1.0	-54.35	398.26	6.57	-47.78
O=C(CN1CCC(C2=CC=CC=C2)NC1=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213746	1	52	-1.0	-54.35	398.31	6.59	-47.76
CC(C)(C)OC(=O)NC[C@@H]1CCO[C@@H]1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020213747	0	57	-1.0	-66.85	414.41	4.16	-62.69
CC(C)(C)OC(=O)NC[C@@H]1CCO[C@@H]1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213747	1	57	-1.0	-66.82	414.44	4.18	-62.64
O=C(C1CC(=O)NC2CCCCC21)N1CCCCC1CC1=N[N-]N=N1	REAL300020213748	0	50	-1.0	-55.59	347.75	4.06	-51.53
O=C(C1CC(=O)NC2CCCCC21)N1CCCCC1CC1=NN=N[N-]1	REAL300020213748	1	50	-1.0	-55.57	347.77	4.08	-51.49
N#CC1=CN(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C(=O)[N-]C1=O	REAL300020213749	0	39	-2.0	-106.27	333.98	0.49	-105.78
N#CC1=CN(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C(=O)[N-]C1=O	REAL300020213749	1	39	-2.0	-106.25	334.04	0.48	-105.77
O=C(C1=CN=C(C2CC2)O1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213750	0	39	-1.0	-50.55	307.60	2.55	-48.00
O=C(C1=CN=C(C2CC2)O1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213750	1	39	-1.0	-50.61	307.64	2.56	-48.05
O=C(C1C[NH+](C2CCOCC2)C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213751	0	50	0.0	-72.35	365.70	4.71	-67.64
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O=C(C1=C(Br)N=C2COCCN21)N1CCCCC1CC1=NN=N[N-]1	REAL300020213803	1	41	-1.0	-41.51	331.71	3.81	-37.70
CC1=CC=CC=C1COCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020213804	0	46	-1.0	-55.89	353.91	7.30	-48.59
CC1=CC=CC=C1COCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213804	1	46	-1.0	-55.90	353.96	7.31	-48.59
CC1=CC=CC(COCC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020213805	0	46	-1.0	-54.42	359.16	7.27	-47.15
CC1=CC=CC(COCC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020213805	1	46	-1.0	-54.44	359.21	7.29	-47.15
O=C(C1=C2SC=CC2=CC=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213806	0	38	-1.0	-52.00	307.63	5.80	-46.20
O=C(C1=C2SC=CC2=CC=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213806	1	38	-1.0	-52.05	307.57	5.80	-46.25
O=C(C1CC(=O)N(C2=CC=C(F)C(F)=C2)C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213807	0	47	-1.0	-48.18	370.07	6.39	-41.79
O=C(C1CC(=O)N(C2=CC=C(F)C(F)=C2)C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213807	1	47	-1.0	-48.18	370.14	6.40	-41.78
O=C(C1C2CCC3(COC(=O)C13)O2)N1CCCCC1CC1=N[N-]N=N1	REAL300020213808	0	45	-1.0	-56.51	331.61	3.82	-52.69
O=C([C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2)N1CCCCC1CC1=NN=N[N-]1	REAL300020213808	1	45	-1.0	-48.46	323.91	5.46	-43.00
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020213809	0	42	-2.0	-103.52	348.79	1.43	-102.09
CS(=O)(=O)[N-]C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020213809	1	42	-2.0	-103.55	348.75	1.42	-102.13
CS(=O)(=O)NC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020213809	1	43	-1.0	-52.08	348.87	1.57	-50.51
CS(=O)(=O)NC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020213809	1	43	-1.0	-52.06	348.83	1.57	-50.49
O=C(CN1C=CC(C(F)F)=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213810	0	39	-1.0	-59.81	321.70	4.40	-55.41
O=C(CN1C=CC(C(F)F)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213810	1	39	-1.0	-59.80	321.77	4.41	-55.39
O=C(C1=CC=CC2=CC(=O)NC=C21)N1CCCCC1CC1=N[N-]N=N1	REAL300020213811	0	42	-1.0	-50.34	333.08	4.76	-45.58
O=C(C1=CC=CC2=CC(=O)NC=C21)N1CCCCC1CC1=NN=N[N-]1	REAL300020213811	1	42	-1.0	-50.31	333.13	4.79	-45.52
CC1=CN2C=CN=C2C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020213812	0	42	-1.0	-54.49	321.49	6.90	-47.59
CC1=CN2C=CN=C2C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020213812	1	42	-1.0	-54.49	321.54	6.92	-47.57
O=C(C1=CC=C(SC(F)(F)F)N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213813	0	39	-1.0	-46.34	334.81	5.57	-40.77
O=C(C1=CC=C(SC(F)(F)F)N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213813	1	39	-1.0	-46.36	334.77	5.56	-40.80
O=C(C1=CC=NC(N2CCOCC2)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213814	0	47	-1.0	-47.31	354.05	4.69	-42.62
O=C(C1=CC=NC(N2CCOCC2)=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213814	1	47	-1.0	-47.29	354.00	4.69	-42.60
CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020213815	0	53	-1.0	-54.04	395.09	4.48	-49.56
CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020213815	1	53	-1.0	-54.06	395.14	4.49	-49.57
O=C(C1CCCC2(CC2)C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213816	0	46	-1.0	-49.91	333.98	7.13	-42.78
O=C(C1CCCC2(CC2)C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213816	1	46	-1.0	-49.89	334.04	7.16	-42.73
CCCN1N=CC=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213817	0	42	-1.0	-47.00	321.45	4.84	-42.16
CCCN1N=CC=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020213817	1	42	-1.0	-47.05	321.32	4.81	-42.24
CC1=CC=C(COCC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020213818	0	46	-1.0	-52.04	363.85	7.01	-45.03
CC1=CC=C(COCC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020213818	1	46	-1.0	-52.07	363.91	7.02	-45.05
O=C(C1=CC2=C(C=C1Br)OCO2)N1CCCCC1CC1=N[N-]N=N1	REAL300020213819	0	39	-1.0	-47.59	314.60	4.62	-42.97
O=C(C1=CC2=C(C=C1Br)OCO2)N1CCCCC1CC1=NN=N[N-]1	REAL300020213819	1	39	-1.0	-47.61	314.63	4.63	-42.98
O=C(C1=CC(C(F)F)=CC=C1F)N1CCCCC1CC1=N[N-]N=N1	REAL300020213820	0	39	-1.0	-50.31	315.50	6.26	-44.05
O=C(C1=CC(C(F)F)=CC=C1F)N1CCCCC1CC1=NN=N[N-]1	REAL300020213820	1	39	-1.0	-50.26	315.50	6.27	-43.99
O=C(C1=CC=CC=C1)N1CCC(C(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020213821	0	50	-1.0	-50.01	376.25	6.15	-43.86
O=C(C1=CC=CC=C1)N1CCC(C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020213821	1	50	-1.0	-50.03	376.31	6.17	-43.86
O=C(C1=C(F)N(C2=CC=CC=C2)N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213822	0	43	-1.0	-55.30	347.42	6.70	-48.60
O=C(C1=C(F)N(C2=CC=CC=C2)N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213822	1	43	-1.0	-55.33	347.31	6.70	-48.63
O=C(C1=C(Cl)C2=CC=CN=C2S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213823	0	38	-1.0	-51.32	326.09	5.29	-46.03
O=C(C1=C(Cl)C2=CC=CN=C2S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213823	1	38	-1.0	-51.30	326.04	5.29	-46.01
COC1=CC(CCC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC(OC)=C1O	REAL300020213824	0	51	-1.0	-49.63	398.80	3.90	-45.73
COC1=CC(CCC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC(OC)=C1O	REAL300020213824	1	51	-1.0	-49.57	398.86	3.92	-45.65
O=C(CC[C@@H]1CC[C@H](C(F)(F)F)O1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213825	0	46	-1.0	-53.16	361.01	5.74	-47.42
O=C(CC[C@@H]1CC[C@H](C(F)(F)F)O1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213825	1	46	-1.0	-53.21	361.06	5.74	-47.47
COC1=CC=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1C	REAL300020213826	0	43	-1.0	-42.54	329.47	5.93	-36.61
COC1=CC=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1C	REAL300020213826	1	43	-1.0	-42.52	329.52	5.93	-36.59
CCC1=CNC(=O)C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020213827	0	42	-1.0	-63.47	325.40	3.74	-59.73
CCC1=CNC(=O)C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020213827	1	42	-1.0	-63.46	325.46	3.74	-59.72
O=C(C(O)CC1=CC=CC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213828	0	43	-1.0	-47.05	330.52	4.60	-42.45
O=C(C(O)CC1=CC=CC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213828	1	43	-1.0	-47.04	330.58	4.61	-42.43
CN1N=CC(Cl)=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213829	0	36	-1.0	-43.71	301.14	3.78	-39.93
CN1N=CC(Cl)=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020213829	1	36	-1.0	-43.70	301.09	3.78	-39.92
CC1=CC(CC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC(C)=C1	REAL300020213830	0	45	-1.0	-48.37	350.53	7.37	-41.00
CC1=CC(CC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC(C)=C1	REAL300020213830	1	45	-1.0	-48.33	350.60	7.37	-40.96
O=C(C1=CC=C(OC2=CC=C(F)C=C2)N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213831	0	46	-1.0	-47.02	373.28	5.67	-41.35
O=C(C1=CC=C(OC2=CC=C(F)C=C2)N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213831	1	46	-1.0	-47.07	373.24	5.66	-41.41
O=C(C1=CC=CC(N2CCCC2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213832	0	48	-1.0	-49.98	358.07	5.87	-44.11
O=C(C1=CC=CC(N2CCCC2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213832	1	48	-1.0	-49.94	358.10	5.90	-44.04
O=C(C1=C2C=CC=C(Br)N2N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213833	0	39	-1.0	-51.95	332.14	5.63	-46.32
O=C(C1=C2C=CC=C(Br)N2N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213833	1	39	-1.0	-50.13	331.31	5.99	-44.14
O=C(C1=CC=C(OC2=CC=CC=C2F)N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213834	0	46	-1.0	-51.84	373.52	5.65	-46.19
O=C(C1=CC=C(OC2=CC=CC=C2F)N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213834	1	46	-1.0	-51.85	373.48	5.64	-46.21
O=C(C1=CC=C2C(=C1)NC(=O)N2C1CC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213835	0	47	-1.0	-50.04	367.04	6.01	-44.03
O=C(C1=CC=C2C(=C1)NC(=O)N2C1CC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213835	1	47	-1.0	-50.09	367.09	6.02	-44.07
O=C(C1=CC=C(NC2=CC=CN=C2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213836	0	47	-1.0	-51.03	365.54	5.89	-45.14
O=C(C1=CC=C(NC2=CC=CN=C2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213836	1	47	-1.0	-50.99	365.59	5.90	-45.09
O=C(C1=C2CC(=O)NC2=NC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213837	0	40	-1.0	-49.22	313.72	2.99	-46.23
O=C(C1=C2CC(=O)NC2=NC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213837	1	40	-1.0	-49.29	313.74	3.00	-46.29
O=C(C1=CC2=NC(C(F)(F)F)=CN2C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213838	0	42	-1.0	-50.72	349.97	7.11	-43.61
O=C(C1=CC2=NC(C(F)(F)F)=CN2C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213838	1	42	-1.0	-50.69	349.95	7.09	-43.60
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](C(=O)N3CCCCC3CC3=N[N-]N=N3)[C@@H]2C1	REAL300020213839	0	57	-1.0	-50.95	420.86	6.55	-44.40
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](C(=O)N3CCCCC3CC3=NN=N[N-]3)[C@@H]2C1	REAL300020213839	1	57	-1.0	-50.97	420.92	6.56	-44.41
COC(=O)C=CC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)O1	REAL300020213840	0	43	-1.0	-48.52	350.55	5.94	-42.58
COC(=O)C=CC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)O1	REAL300020213840	1	43	-1.0	-48.52	350.60	5.94	-42.58
CC(C)(C)C1=CC=C(C=CC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020213841	0	52	-1.0	-49.22	388.15	9.24	-39.98
CC(C)(C)C1=CC=C(C=CC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020213841	1	52	-1.0	-49.22	388.20	9.24	-39.98
CCN1N=CC(Cl)=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213842	0	39	-1.0	-49.53	323.76	4.74	-44.79
CCN1N=CC(Cl)=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020213842	1	39	-1.0	-49.51	323.71	4.73	-44.78
COC(=O)C1=C(C)C=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)O1	REAL300020213843	0	42	-1.0	-46.05	334.85	5.15	-40.90
COC(=O)C1=C(C)C=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)O1	REAL300020213843	1	42	-1.0	-46.12	334.91	5.15	-40.97
COC(=O)C1=CN(CC(=O)N2CCCCC2CC2=NN=N[N-]2)N=C1	REAL300020213844	0	42	-1.0	-56.44	343.94	4.27	-52.17
COC(=O)C1=CN(CC(=O)N2CCCCC2CC2=N[N-]N=N2)N=C1	REAL300020213844	1	42	-1.0	-56.45	343.88	4.25	-52.20
CC(C)CCC(NC(=O)OC(C)(C)C)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020213845	0	61	-1.0	-45.11	440.09	5.77	-39.34
CC(C)CCC(NC(=O)OC(C)(C)C)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213845	1	61	-1.0	-45.13	440.15	5.78	-39.35
C[C@@H](CC(=O)N1CCCCC1CC1=N[N-]N=N1)NC(=O)OC(C)(C)C	REAL300020213846	0	52	-1.0	-55.00	392.75	4.24	-50.76
C[C@@H](CC(=O)N1CCCCC1CC1=NN=N[N-]1)NC(=O)OC(C)(C)C	REAL300020213846	1	52	-1.0	-55.02	392.81	4.26	-50.76
CC(C)(C)OC(=O)NC1CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020213847	0	54	-1.0	-52.09	402.38	4.82	-47.27
CC(C)(C)OC(=O)NC1CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020213847	1	54	-1.0	-52.14	402.44	4.82	-47.32
NC(=O)C1=CC=C(C=CC(=O)N2CCCCC2CC2=N[N-]N=N2)O1	REAL300020213848	0	41	-1.0	-48.94	334.25	2.00	-46.94
NC(=O)C1=CC=C(C=CC(=O)N2CCCCC2CC2=NN=N[N-]2)O1	REAL300020213848	1	41	-1.0	-48.98	334.31	2.00	-46.98
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)OC(S(N)(=O)=O)=C1	REAL300020213849	0	41	-1.0	-50.05	334.23	-0.57	-50.62
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)OC(S(N)(=O)=O)=C1	REAL300020213849	1	41	-1.0	-50.12	334.28	-0.55	-50.67
CSC1=CC=C(O)C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020213850	0	41	-1.0	-53.37	327.79	4.28	-49.09
CSC1=CC=C(O)C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020213850	1	41	-1.0	-53.38	327.78	4.29	-49.09
CCCCC(C(=O)N1CCCCC1CC1=N[N-]N=N1)C(C)C	REAL300020213851	0	50	-1.0	-46.80	344.35	7.50	-39.30
CCCCC(C(=O)N1CCCCC1CC1=NN=N[N-]1)C(C)C	REAL300020213851	1	50	-1.0	-46.78	344.39	7.52	-39.26
O=C(NC1=C(F)C=CC=C1F)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020213852	0	40	-1.0	-49.18	324.70	3.87	-45.31
O=C(NC1=C(F)C=CC=C1F)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213852	1	40	-1.0	-49.21	324.76	3.89	-45.32
CC1=CC(CC(=O)N2CCCCC2CC2=N[N-]N=N2)=C(C)N1C1=CC=CC=C1	REAL300020213853	0	53	-1.0	-54.96	407.59	10.41	-44.55
CC1=CC(CC(=O)N2CCCCC2CC2=NN=N[N-]2)=C(C)N1C1=CC=CC=C1	REAL300020213853	1	53	-1.0	-54.90	407.63	10.43	-44.47
CN1C(C(F)(F)F)=NC2=CN=CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=C21	REAL300020213854	0	44	-1.0	-45.15	354.45	4.87	-40.28
CN1C(C(F)(F)F)=NC2=CN=CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=C21	REAL300020213854	1	44	-1.0	-45.14	354.38	4.87	-40.27
O=C(C1CCC2(CC2)CC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213855	0	46	-1.0	-48.52	332.99	7.01	-41.51
O=C(C1CCC2(CC2)CC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213855	1	46	-1.0	-48.57	333.04	7.03	-41.54
O=C(C1CCC2=CC(F)=CC=C21)N1CCCCC1CC1=N[N-]N=N1	REAL300020213856	0	43	-1.0	-48.38	329.26	7.39	-40.99
O=C(C1CCC2=CC(F)=CC=C21)N1CCCCC1CC1=NN=N[N-]1	REAL300020213856	1	43	-1.0	-48.41	329.32	7.39	-41.02
CC1=CC=C([C@@H]2C[C@H]2C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1C	REAL300020213857	0	49	-1.0	-47.94	373.31	8.56	-39.38
CC1=CC=C([C@@H]2C[C@H]2C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1C	REAL300020213857	1	49	-1.0	-47.93	373.37	8.56	-39.37
CCOCCN1C=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020213858	0	46	-1.0	-49.53	359.16	3.74	-45.79
CCOCCN1C=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020213858	1	46	-1.0	-49.54	359.11	3.73	-45.81
O=C(C1CCCC1CC1=CC=CC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213859	0	52	-1.0	-50.24	387.52	9.03	-41.21
O=C(C1CCCC1CC1=CC=CC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213859	1	52	-1.0	-50.22	387.58	9.05	-41.17
O=C(C1=CC=NN1CCC1=CC=CC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213860	0	49	-1.0	-49.22	381.27	7.70	-41.52
O=C(C1=CC=NN1CCC1=CC=CC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213860	1	49	-1.0	-49.18	381.17	7.70	-41.48
CN1C=C(Cl)C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020213861	0	36	-1.0	-53.31	296.62	4.29	-49.02
CN1C=C(Cl)C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020213861	1	36	-1.0	-53.29	296.56	4.29	-49.00
CCOC1=CC=CC(C=CC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020213862	0	47	-1.0	-52.47	363.01	7.14	-45.33
CCOC1=CC=CC(C=CC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020213862	1	47	-1.0	-52.42	363.06	7.14	-45.28
COC1=CC=C(C=CC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020213863	0	44	-1.0	-50.19	341.47	6.22	-43.97
COC1=CC=C(C=CC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020213863	1	44	-1.0	-50.14	341.52	6.23	-43.91
O=C(CC1=CC=C(F)C(Cl)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213864	0	39	-1.0	-50.31	325.87	7.06	-43.25
O=C(CC1=CC=C(F)C(Cl)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213864	1	39	-1.0	-50.32	325.92	7.07	-43.25
O=C(C1=C(Cl)SC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213865	0	33	-1.0	-52.04	281.58	4.73	-47.31
O=C(C1=C(Cl)SC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213865	1	33	-1.0	-52.01	281.59	4.74	-47.27
O=C(CCOC1=CC=C(Cl)C(F)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213866	0	43	-1.0	-49.58	355.73	6.70	-42.88
O=C(CCOC1=CC=C(Cl)C(F)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213866	1	43	-1.0	-49.59	355.78	6.71	-42.88
CC(=CC(=O)N1CCCCC1CC1=N[N-]N=N1)C1=CC=CS1	REAL300020213867	0	40	-1.0	-45.57	317.56	6.86	-38.71
CC(=CC(=O)N1CCCCC1CC1=NN=N[N-]1)C1=CC=CS1	REAL300020213867	1	40	-1.0	-45.54	317.59	6.87	-38.67
CC1=NN(C2CCOCC2)C(C)=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020213868	0	53	-1.0	-48.69	406.06	5.10	-43.59
CC1=NN(C2CCOCC2)C(C)=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213868	1	53	-1.0	-48.68	406.12	5.12	-43.56
CCC(NC1=CC=CN=C1Cl)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213869	0	46	-1.0	-52.41	351.23	4.40	-48.01
CCC(NC1=CC=CN=C1Cl)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020213869	1	46	-1.0	-52.36	351.18	4.41	-47.95
CN1C=C(CCC(=O)N2CCCCC2CC2=N[N-]N=N2)N=N1	REAL300020213870	0	41	-1.0	-50.46	326.12	3.35	-47.11
CN1C=C(CCC(=O)N2CCCCC2CC2=NN=N[N-]2)N=N1	REAL300020213870	1	41	-1.0	-50.48	326.18	3.38	-47.10
CCOCCOCCCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020213871	0	49	-1.0	-54.61	375.59	4.49	-50.12
CCOCCOCCCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213871	1	49	-1.0	-54.63	375.64	4.49	-50.14
O=C(N1CCCCC1CC1=N[N-]N=N1)C(F)(F)N1C=C(C2=CC=CC=C2)N=N1	REAL300020213872	0	45	-1.0	-53.00	364.66	5.99	-47.01
O=C(N1CCCCC1CC1=NN=N[N-]1)C(F)(F)N1C=C(C2=CC=CC=C2)N=N1	REAL300020213872	1	45	-1.0	-53.05	364.71	6.02	-47.03
COC1=CC=CC(C(OC)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020213873	0	47	-1.0	-49.29	358.03	5.31	-43.98
COC1=CC=CC(C(OC)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020213873	1	47	-1.0	-49.31	358.06	5.32	-43.99
COCCOCCOCCCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020213874	0	53	-1.0	-56.20	409.21	3.85	-52.35
COCCOCCOCCCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213874	1	53	-1.0	-56.22	409.26	3.86	-52.36
COC1=CC2=CC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2C=C1OC	REAL300020213875	0	50	-1.0	-51.60	384.48	6.87	-44.73
COC1=CC2=CC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2C=C1OC	REAL300020213875	1	50	-1.0	-51.64	384.48	6.88	-44.76
CSC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C(C)O1	REAL300020213876	0	40	-1.0	-48.18	321.56	5.57	-42.61
CSC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C(C)O1	REAL300020213876	1	40	-1.0	-48.17	321.58	5.59	-42.58
O=C(CC1(N2C=NN=N2)CCOCC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213877	0	48	-1.0	-38.42	342.45	3.26	-35.16
O=C(CC1(N2C=NN=N2)CCOCC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213877	1	48	-1.0	-38.34	342.44	3.24	-35.10
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020213878	0	49	-2.0	-136.05	384.35	6.52	-129.53
CCC1=CC=CC=C1N1C=C([O-])C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020213878	1	49	-2.0	-136.08	384.38	6.55	-129.53
CC(=O)NC1=CNC(=O)C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020213879	0	43	-1.0	-68.73	338.24	0.78	-67.95
CC(=O)NC1=CNC(=O)C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020213879	1	43	-1.0	-68.76	338.29	0.78	-67.98
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213880	0	42	-2.0	-109.33	337.84	5.09	-104.24
O=C(C1=CC=CC(NC2=NN=N[N-]2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213880	1	42	-2.0	-109.25	337.81	5.08	-104.17
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213880	1	42	-2.0	-109.09	337.94	5.09	-104.00
O=C(C1=CC=CC(NC2=N[N-]N=N2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213880	1	42	-2.0	-109.02	337.90	5.08	-103.94
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213881	0	39	-2.0	-88.08	319.08	2.81	-85.27
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213881	1	39	-2.0	-88.05	319.15	2.81	-85.24
O=C(C1=CC=C(C2=N[N-]N=N2)C=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213881	1	39	-2.0	-88.10	319.14	2.81	-85.29
O=C(C1=CC=C(C2=NN=N[N-]2)C=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213881	1	39	-2.0	-88.04	319.20	2.81	-85.23
O=C(COCC1=NC(C2=CC=CC=C2)=NO1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213882	0	48	-1.0	-61.35	388.70	5.27	-56.08
O=C(COCC1=NC(C2=CC=CC=C2)=NO1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213882	1	48	-1.0	-61.35	388.65	5.26	-56.09
O=C(CNC(=O)C1=CN=C(Cl)C(Cl)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213883	0	42	-1.0	-42.92	364.54	3.32	-39.60
O=C(CNC(=O)C1=CN=C(Cl)C(Cl)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213883	1	42	-1.0	-42.90	364.48	3.33	-39.57
O=C(C1=C(C(F)(F)F)C=NN1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213884	0	36	-1.0	-46.33	297.04	3.23	-43.10
O=C(C1=C(C(F)(F)F)C=NN1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213884	1	36	-1.0	-46.35	297.09	3.24	-43.11
O=C(CC1=CC(C2CC2)=NO1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213885	0	42	-1.0	-53.07	335.00	5.77	-47.30
O=C(CC1=CC(C2CC2)=NO1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213885	1	42	-1.0	-53.10	335.07	5.79	-47.31
O=C(CCCN1C(=O)[N-]NC1=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020213886	0	42	-2.0	-95.86	341.99	0.60	-95.26
O=C(CCCN1C(=O)[N-]NC1=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213886	1	42	-2.0	-95.90	342.05	0.62	-95.28
CN1C=CC(NC2=CC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2)=N1	REAL300020213887	0	48	-1.0	-55.94	373.53	6.80	-49.14
CN1C=CC(NC2=CC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2)=N1	REAL300020213887	1	48	-1.0	-55.98	373.50	6.78	-49.20
CC1=NOC(C2(C(=O)N3CCCCC3CC3=N[N-]N=N3)CC2)=C1	REAL300020213888	0	42	-1.0	-45.32	329.83	5.77	-39.55
CC1=NOC(C2(C(=O)N3CCCCC3CC3=NN=N[N-]3)CC2)=C1	REAL300020213888	1	42	-1.0	-45.34	329.88	5.78	-39.56
O=C(CC1CCN(CC(F)(F)F)CC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213889	0	50	-1.0	-45.89	374.62	5.39	-40.50
O=C(CC1CCN(CC(F)(F)F)CC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213889	1	50	-1.0	-45.88	374.67	5.40	-40.48
O=C(C1CCCC2CCC[N@@H+]21)N1CCCCC1CC1=NN=N[N-]1	REAL300020213890	0	49	0.0	-42.52	315.50	6.22	-36.30
O=C(C1CCCC2CCC[N@H+]21)N1CCCCC1CC1=NN=N[N-]1	REAL300020213890	1	49	0.0	-41.55	336.90	6.87	-34.68
CC1CN(C)CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)O1	REAL300020213891	0	45	-1.0	-46.06	322.33	2.53	-43.53
CC1CN(C)CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)O1	REAL300020213891	1	45	-1.0	-46.10	322.36	2.55	-43.55
CC1C[N@H+](C)CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)O1	REAL300020213891	1	46	0.0	-75.59	326.44	4.43	-71.16
CC1C[N@@H+](C)CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)O1	REAL300020213891	1	46	0.0	-73.65	327.00	4.83	-68.82
O=C(C(O)C(O)(C1=CC=CC=C1)C(F)(F)F)N1CCCCC1CC1=N[N-]N=N1	REAL300020213892	0	47	-1.0	-52.64	348.50	3.58	-49.06
O=C(C(O)C(O)(C1=CC=CC=C1)C(F)(F)F)N1CCCCC1CC1=NN=N[N-]1	REAL300020213892	1	47	-1.0	-52.65	348.55	3.59	-49.06
CN1C=NC2=CN=CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=C21	REAL300020213893	0	41	-1.0	-49.61	316.05	4.88	-44.73
CN1C=NC2=CN=CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=C21	REAL300020213893	1	41	-1.0	-49.62	316.10	4.90	-44.72
C[N@@H+]1CCCC1CCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020213894	0	48	0.0	-71.70	350.79	6.30	-65.40
C[N@H+]1CCCC1CCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020213894	1	48	0.0	-66.43	343.64	5.95	-60.48
C[N@@H+]1CCCC1CCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213894	1	48	0.0	-71.69	350.84	6.30	-65.39
C[N@H+]1CCCC1CCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213894	1	48	0.0	-66.41	343.71	5.95	-60.46
O=C(C=CCN1C=NC=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213895	0	39	-1.0	-53.13	312.50	6.46	-46.67
O=C(C=CCN1C=NC=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213895	1	39	-1.0	-53.13	312.45	6.46	-46.67
O=C([C@@H]1C[C@H]1C1=CNC=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213896	0	40	-1.0	-61.64	311.79	5.40	-56.24
O=C([C@@H]1C[C@H]1C1=CNC=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213896	1	40	-1.0	-61.61	311.85	5.40	-56.21
O=C(C1=CC=C(NN2C=CN=C2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213897	0	45	-1.0	-56.60	349.20	6.86	-49.74
O=C(C1=CC=C(NN2C=CN=C2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213897	1	45	-1.0	-56.65	349.25	6.88	-49.77
O=C(CCC1=NN=C(C2CC2)O1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213898	0	44	-1.0	-48.59	352.62	1.43	-47.16
O=C(CCC1=NN=C(C2CC2)O1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213898	1	44	-1.0	-48.58	352.68	1.43	-47.15
O=C(C1=CN(CCO)N=C1C1CCOCC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213899	0	54	-1.0	-55.41	414.88	1.89	-53.52
O=C(C1=CN(CCO)N=C1C1CCOCC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213899	1	54	-1.0	-53.11	413.97	2.38	-50.73
CC(=O)NC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=N1	REAL300020213900	0	42	-1.0	-52.83	332.08	3.98	-48.85
CC(=O)NC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=N1	REAL300020213900	1	42	-1.0	-52.82	332.05	3.98	-48.84
CC1=C(NCC(C)(C)C)C=CC=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020213901	0	56	-1.0	-42.22	411.39	8.47	-33.75
CC1=C(NCC(C)(C)C)C=CC=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213901	1	56	-1.0	-42.24	411.43	8.49	-33.75
O=C(C1=CC=CC(CN2C=NC=N2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213902	0	45	-1.0	-51.68	358.68	8.47	-43.21
O=C(C1=CC=CC(CN2C=NC=N2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213902	1	45	-1.0	-51.62	358.64	8.45	-43.17
O=C(C1=NC=C2C(F)=CC=CN21)N1CCCCC1CC1=NN=N[N-]1	REAL300020213903	0	39	-1.0	-48.11	309.57	6.81	-41.30
O=C(C1=NC=C2C(F)=CC=CN21)N1CCCCC1CC1=N[N-]N=N1	REAL300020213903	1	39	-1.0	-48.07	309.51	6.81	-41.26
O=C(C=CC=C(Cl)Cl)N1CCCCC1CC1=N[N-]N=N1	REAL300020213904	0	34	-1.0	-47.80	298.73	5.64	-42.16
O=C(C=CC=C(Cl)Cl)N1CCCCC1CC1=NN=N[N-]1	REAL300020213904	1	34	-1.0	-47.80	298.78	5.65	-42.15
CC1=C(CO)C=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)O1	REAL300020213905	0	40	-1.0	-55.37	313.97	1.94	-53.43
CC1=C(CO)C=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)O1	REAL300020213905	1	40	-1.0	-55.36	314.02	1.94	-53.42
CN1CCCCC(C(=O)N2CCCCC2CC2=N[N-]N=N2)C1=O	REAL300020213906	0	46	-1.0	-36.53	309.15	4.59	-31.94
CN1CCCCC(C(=O)N2CCCCC2CC2=NN=N[N-]2)C1=O	REAL300020213906	1	46	-1.0	-36.58	309.17	4.59	-31.99
O=C([C@@H]1CSC(C2=CC=CC=C2)=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213907	0	44	-1.0	-51.72	357.06	5.19	-46.53
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C[N@H+](CC(=O)N1CCCCC1CC1=N[N-]N=N1)CC(C)(C)C	REAL300020213912	0	50	0.0	-52.33	345.37	6.63	-45.70
C[N@@H+](CC(=O)N1CCCCC1CC1=N[N-]N=N1)CC(C)(C)C	REAL300020213912	1	50	0.0	-41.98	344.87	6.42	-35.56
C[N@H+](CC(=O)N1CCCCC1CC1=NN=N[N-]1)CC(C)(C)C	REAL300020213912	1	50	0.0	-52.37	345.40	6.64	-45.73
C[N@@H+](CC(=O)N1CCCCC1CC1=NN=N[N-]1)CC(C)(C)C	REAL300020213912	1	50	0.0	-41.97	344.90	6.44	-35.53
CN1C=NC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC1=O	REAL300020213913	0	38	-1.0	-58.27	300.17	4.65	-53.62
CN1C=NC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC1=O	REAL300020213913	1	38	-1.0	-58.24	300.12	4.65	-53.59
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CN1CCOC(C(=O)N2CCCCC2CC2=N[N-]N=N2)C1=O	REAL300020213916	0	41	-1.0	-52.31	305.45	2.48	-49.83
CN1CCOC(C(=O)N2CCCCC2CC2=NN=N[N-]2)C1=O	REAL300020213916	1	41	-1.0	-52.31	305.52	2.49	-49.82
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CN1CCN(C(=O)OC(C)(C)C)CC1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213917	1	58	-1.0	-50.22	417.33	4.09	-46.13
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CC1=CC=C(C(=O)C=CC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020213920	0	45	-1.0	-47.04	355.87	7.46	-39.58
CC1=CC=C(C(=O)C=CC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020213920	1	45	-1.0	-47.04	355.92	7.47	-39.57
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NC1=NN=NN1C1=CC=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020213922	1	43	-1.0	-54.77	341.18	5.28	-49.49
CC1=NN=C(CCC(=O)N2CCCCC2CC2=N[N-]N=N2)O1	REAL300020213923	0	40	-1.0	-51.34	316.33	0.18	-51.16
CC1=NN=C(CCC(=O)N2CCCCC2CC2=NN=N[N-]2)O1	REAL300020213923	1	40	-1.0	-51.32	316.38	0.19	-51.13
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O=C(C1=NN=C(C2CC2)O1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213924	1	38	-1.0	-49.01	303.15	1.04	-47.97
CCN1C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CN=C1Br	REAL300020213925	0	39	-1.0	-44.80	318.04	5.11	-39.69
CCN1C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CN=C1Br	REAL300020213925	1	39	-1.0	-44.75	318.01	5.10	-39.65
O=C(C1=CC(C(F)(F)F)=CNC1=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020213926	0	39	-1.0	-55.53	316.96	2.93	-52.60
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O=C(C1=CC=CN2N=NN=C12)N1CCCCC1CC1=N[N-]N=N1	REAL300020213928	1	37	-1.0	-47.91	290.53	3.35	-44.56
O=C(C1=CC(F)=CNC1=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020213929	0	36	-1.0	-55.22	284.41	2.01	-53.21
O=C(C1=CC(F)=CNC1=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213929	1	36	-1.0	-55.22	284.45	2.01	-53.21
O=C(C1=CN2C=CN=C2C(Br)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213930	0	39	-1.0	-47.62	327.95	6.53	-41.09
O=C(C1=CN2C=CN=C2C(Br)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213930	1	39	-1.0	-47.58	327.91	6.51	-41.07
CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)N2CCCCC2CC2=N[N-]N=N2)CC1	REAL300020213931	0	59	-1.0	-50.46	427.02	5.52	-44.94
CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)N2CCCCC2CC2=NN=N[N-]2)CC1	REAL300020213931	1	59	-1.0	-50.47	427.07	5.54	-44.93
CC(=CC1=CC=C(Br)O1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020213932	0	40	-1.0	-45.27	321.49	6.20	-39.07
CC(=CC1=CC=C(Br)O1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213932	1	40	-1.0	-45.28	321.54	6.21	-39.07
O=C(C1=CC=CC(OC2=CC=C(Cl)C=N2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213933	0	46	-1.0	-52.50	383.75	6.19	-46.31
O=C(C1=CC=CC(OC2=CC=C(Cl)C=N2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213933	1	46	-1.0	-52.48	383.71	6.19	-46.29
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O=CC1=CC=C(F)C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020213934	1	38	-1.0	-51.12	306.58	5.14	-45.98
O=CC1=CC=C(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020213935	0	41	-1.0	-48.53	326.10	6.17	-42.36
O=CC1=CC=C(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020213935	1	41	-1.0	-48.49	326.16	6.19	-42.30
O=CC1=CNC2=CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=CC=C12	REAL300020213936	0	42	-1.0	-59.29	330.66	5.12	-54.17
O=CC1=CNC2=CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=CC=C12	REAL300020213936	1	42	-1.0	-59.31	330.70	5.13	-54.18
CC1=CC(C=O)=C(C)N1C1=CC=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020213937	0	52	-1.0	-52.94	409.76	9.15	-43.79
CC1=CC(C=O)=C(C)N1C1=CC=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020213937	1	52	-1.0	-52.91	409.80	9.16	-43.75
O=CC1=CC(Br)=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020213938	0	38	-1.0	-46.88	321.87	5.66	-41.22
O=CC1=CC(Br)=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020213938	1	38	-1.0	-46.84	321.90	5.66	-41.18
O=C(C1=CN([C@@H]2CC[C@H]2O)N=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213939	0	43	-1.0	-48.97	333.29	0.93	-48.04
O=C(C1=CN([C@@H]2CC[C@H]2O)N=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213939	1	43	-1.0	-48.98	333.24	0.92	-48.06
CC(C(=O)N1CCCCC1CC1=N[N-]N=N1)C1=CN=CC=N1	REAL300020213940	0	40	-1.0	-51.69	306.22	2.92	-48.77
CC(C(=O)N1CCCCC1CC1=NN=N[N-]1)C1=CN=CC=N1	REAL300020213940	1	40	-1.0	-51.66	306.28	2.93	-48.73
O=C(C1=CN=C2SC=CC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213941	0	38	-1.0	-48.57	312.15	4.80	-43.77
O=C(C1=CN=C2SC=CC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213941	1	38	-1.0	-48.59	312.12	4.79	-43.80
O=C(CC(F)(F)C(F)(F)F)N1CCCCC1CC1=N[N-]N=N1	REAL300020213942	0	35	-1.0	-48.09	293.01	4.75	-43.34
O=C(CC(F)(F)C(F)(F)F)N1CCCCC1CC1=NN=N[N-]1	REAL300020213942	1	35	-1.0	-48.15	293.06	4.76	-43.39
O=C(C1=CC2=C(Cl)N=CC=C2O1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213943	0	38	-1.0	-48.90	318.36	4.72	-44.18
O=C(C1=CC2=C(Cl)N=CC=C2O1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213943	1	38	-1.0	-48.86	318.31	4.71	-44.15
O=C(CCNC(=O)C1=CC2=CC=CC=C2N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213944	0	50	-1.0	-60.14	393.50	4.89	-55.25
O=C(CCNC(=O)C1=CC2=CC=CC=C2N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213944	1	50	-1.0	-60.17	393.55	4.90	-55.27
O=C(C1=COC(C(F)(F)F)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213945	0	35	-1.0	-42.98	296.00	2.49	-40.49
O=C(C1=COC(C(F)(F)F)=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213945	1	35	-1.0	-42.96	295.94	2.46	-40.50
O=C(C1=NN2C=C(Br)C=NC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213946	0	38	-1.0	-51.31	323.28	5.37	-45.94
O=C(C1=NN2C=C(Br)C=NC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213946	1	38	-1.0	-51.29	323.22	5.35	-45.94
COC1=CC=C(C=O)C=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020213947	0	42	-1.0	-52.18	329.51	5.00	-47.18
COC1=CC=C(C=O)C=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213947	1	42	-1.0	-52.17	329.47	5.02	-47.15
O=CC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1F	REAL300020213948	0	38	-1.0	-49.32	311.04	5.32	-44.00
O=CC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1F	REAL300020213948	1	38	-1.0	-49.35	311.09	5.33	-44.02
O=C(C1=CSN=C1Cl)N1CCCCC1CC1=NN=N[N-]1	REAL300020213949	0	32	-1.0	-51.86	274.58	3.44	-48.42
O=C(C1=CSN=C1Cl)N1CCCCC1CC1=N[N-]N=N1	REAL300020213949	1	32	-1.0	-51.88	274.54	3.43	-48.45
CS(=O)(=O)N1CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020213950	0	41	-1.0	-50.45	332.89	0.26	-50.19
CS(=O)(=O)N1CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020213950	1	41	-1.0	-50.45	332.95	0.29	-50.16
O=C(C1=CC=C(OCC2=CC=CC=C2)C=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213951	0	49	-1.0	-49.89	384.44	7.70	-42.19
O=C(C1=CC=C(OCC2=CC=CC=C2)C=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213951	1	49	-1.0	-49.89	384.39	7.69	-42.20
CC1=NC(OC(C)C(F)(F)F)=CC=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020213952	0	48	-1.0	-46.29	385.17	5.00	-41.29
CC1=NC(OC(C)C(F)(F)F)=CC=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213952	1	48	-1.0	-46.31	385.22	5.02	-41.29
O=C(C1=CSC=C1Cl)N1CCCCC1CC1=N[N-]N=N1	REAL300020213953	0	33	-1.0	-52.31	281.80	4.69	-47.62
O=C(C1=CSC=C1Cl)N1CCCCC1CC1=NN=N[N-]1	REAL300020213953	1	33	-1.0	-52.31	281.82	4.71	-47.60
O=C([C@@H]1C[C@H]1C1CCOCC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213954	0	47	-1.0	-52.05	347.65	5.67	-46.38
O=C([C@@H]1C[C@H]1C1CCOCC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213954	1	47	-1.0	-52.07	347.70	5.67	-46.40
CC1=NC(C2=CC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)S2)=CS1	REAL300020213955	0	42	-1.0	-52.77	356.96	6.14	-46.63
CC1=NC(C2=CC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)S2)=CS1	REAL300020213955	1	42	-1.0	-52.82	356.91	6.13	-46.69
O=C(CC1=CC=CC=C1OCC1=CC=NC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213956	0	52	-1.0	-50.98	412.89	7.65	-43.33
O=C(CC1=CC=CC=C1OCC1=CC=NC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213956	1	52	-1.0	-50.96	412.96	7.67	-43.29
O=C([C@@H]1CC[C@H](CC2=CC=CC=C2)O1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213957	0	50	-1.0	-57.51	377.80	8.11	-49.40
O=C([C@@H]1CC[C@H](CC2=CC=CC=C2)O1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213957	1	50	-1.0	-57.50	377.85	8.11	-49.39
CCC(CC(=O)N1CCCCC1CC1=N[N-]N=N1)C(C)(C)C	REAL300020213958	0	50	-1.0	-46.34	340.99	6.90	-39.44
CCC(CC(=O)N1CCCCC1CC1=NN=N[N-]1)C(C)(C)C	REAL300020213958	1	50	-1.0	-46.32	341.02	6.90	-39.42
CCC1=CC=C(F)C=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020213959	0	42	-1.0	-47.94	322.00	6.87	-41.07
CCC1=CC=C(F)C=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213959	1	42	-1.0	-47.94	322.06	6.88	-41.06
O=C(C[C@@H]1NC(=O)C2=CC=CC=C2NC1=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020213960	0	48	-1.0	-61.37	369.58	2.46	-58.91
O=C(C[C@@H]1NC(=O)C2=CC=CC=C2NC1=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213960	1	48	-1.0	-61.33	369.63	2.47	-58.86
COCC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=CS1	REAL300020213961	0	40	-1.0	-49.14	320.96	4.02	-45.12
COCC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=CS1	REAL300020213961	1	40	-1.0	-49.19	321.04	4.02	-45.17
CN1C=CC2=CC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C21	REAL300020213962	0	43	-1.0	-52.76	336.09	7.30	-45.46
CN1C=CC2=CC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C21	REAL300020213962	1	43	-1.0	-52.76	336.13	7.31	-45.45
COC(=O)C1=NN(C)C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020213963	0	42	-1.0	-44.66	337.56	3.61	-41.05
COC(=O)C1=NN(C)C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020213963	1	42	-1.0	-44.63	337.44	3.58	-41.05
COC(=O)[C@@H]1O[C@@H](C(=O)N2CCCCC2CC2=N[N-]N=N2)C[C@H]1C	REAL300020213964	0	46	-1.0	-60.69	352.07	5.56	-55.13
COC(=O)[C@@H]1O[C@@H](C(=O)N2CCCCC2CC2=NN=N[N-]2)C[C@H]1C	REAL300020213964	1	46	-1.0	-60.74	352.12	5.56	-55.18
COC1=CC=CC=C1NC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020213965	0	52	-1.0	-52.78	400.64	7.14	-45.64
COC1=CC=CC=C1NC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020213965	1	52	-1.0	-52.81	400.67	7.16	-45.65
O=C(C=CC1=CC=C(Cl)S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213966	0	37	-1.0	-46.27	318.93	6.63	-39.64
O=C(C=CC1=CC=C(Cl)S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213966	1	37	-1.0	-46.28	318.99	6.63	-39.65
O=C(C=CC1=CC=CC=C1OC(F)(F)F)N1CCCCC1CC1=N[N-]N=N1	REAL300020213967	0	44	-1.0	-53.89	356.55	6.78	-47.11
O=C(C=CC1=CC=CC=C1OC(F)(F)F)N1CCCCC1CC1=NN=N[N-]1	REAL300020213967	1	44	-1.0	-53.85	356.60	6.80	-47.05
O=C(C1=NN(C2CCOCC2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213968	0	47	-1.0	-52.37	353.53	4.66	-47.71
O=C(C1=NN(C2CCOCC2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213968	1	47	-1.0	-52.30	353.47	4.65	-47.65
CC1(C)C2(C)CCC1(C(=O)N1CCCCC1CC1=N[N-]N=N1)OC2=O	REAL300020213969	0	49	-1.0	-42.08	351.52	6.32	-35.76
CC1(C)[C@@]2(C)CC[C@]1(C(=O)N1CCCCC1CC1=NN=N[N-]1)OC2=O	REAL300020213969	1	49	-1.0	-43.48	351.94	6.38	-37.10
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C(C2=CC=CC=C2)O1	REAL300020213970	0	46	-1.0	-49.16	357.15	8.08	-41.08
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C(C2=CC=CC=C2)O1	REAL300020213970	1	46	-1.0	-49.12	357.20	8.09	-41.03
O=C(C1CNC(=O)C2=CC=CC=C21)N1CCCCC1CC1=N[N-]N=N1	REAL300020213971	0	44	-1.0	-55.99	334.31	3.69	-52.30
O=C(C1CNC(=O)C2=CC=CC=C21)N1CCCCC1CC1=NN=N[N-]1	REAL300020213971	1	44	-1.0	-55.94	334.36	3.71	-52.23
O=C(CC1CCC(F)(F)CC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213972	0	45	-1.0	-47.01	330.46	6.95	-40.06
O=C(CC1CCC(F)(F)CC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213972	1	45	-1.0	-47.06	330.50	6.95	-40.11
CC1=CN(CC(=O)N2CCCCC2CC2=NN=N[N-]2)N=C1C(F)(F)F	REAL300020213973	0	42	-1.0	-58.54	345.55	5.08	-53.46
CC1=CN(CC(=O)N2CCCCC2CC2=N[N-]N=N2)N=C1C(F)(F)F	REAL300020213973	1	42	-1.0	-58.58	345.49	5.06	-53.52
CC1=CC=CC([C@@H]2C[C@H]2C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020213974	0	46	-1.0	-47.79	356.48	8.07	-39.72
CC1=CC=CC([C@@H]2C[C@H]2C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020213974	1	46	-1.0	-47.81	356.54	8.09	-39.72
O=C(C1=CC=C(C(F)F)O1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213975	0	36	-1.0	-46.92	295.09	4.84	-42.08
O=C(C1=CC=C(C(F)F)O1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213975	1	36	-1.0	-46.90	295.14	4.84	-42.06
O=C(C1=C(C(F)F)N=CO1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213976	0	35	-1.0	-52.12	283.70	1.38	-50.74
O=C(C1=C(C(F)F)N=CO1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213976	1	35	-1.0	-52.13	283.74	1.38	-50.75
O=C(C1=CC=CC(C#CCO)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213977	0	42	-1.0	-54.54	340.48	4.18	-50.36
O=C(C1=CC=CC(C#CCO)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213977	1	42	-1.0	-53.31	340.52	4.17	-49.14
CC(C)(C)OC(=O)N[C@H](CO)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020213978	0	50	-1.0	-48.09	374.73	-0.08	-48.17
CC(C)(C)OC(=O)N[C@H](CO)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213978	1	50	-1.0	-48.04	374.78	-0.08	-48.12
O=C(CCCN1C=NC=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213979	0	41	-1.0	-60.60	321.96	6.73	-53.87
O=C(CCCN1C=NC=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213979	1	41	-1.0	-60.61	321.91	6.71	-53.90
CC1=C(C=O)C(C)=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)N1	REAL300020213980	0	42	-1.0	-48.32	324.25	4.56	-43.76
CC1=C(C=O)C(C)=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)N1	REAL300020213980	1	42	-1.0	-48.30	324.29	4.56	-43.74
O=C(CN1CCNC(=O)C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213981	0	42	-1.0	-60.28	314.50	-0.09	-60.37
O=C(CN1CCNC(=O)C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213981	1	42	-1.0	-60.26	314.53	-0.06	-60.32
COC1=CC(CO)=CC=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020213982	0	44	-1.0	-56.00	339.18	2.58	-53.42
COC1=CC(CO)=CC=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020213982	1	44	-1.0	-55.99	339.14	2.60	-53.39
O=C(CC1CCN(CC(F)F)CC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213983	0	50	-1.0	-48.43	368.06	5.26	-43.17
O=C(CC1CCN(CC(F)F)CC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213983	1	50	-1.0	-48.41	368.11	5.26	-43.15
COC1=CC(OC)=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1C=O	REAL300020213984	0	46	-1.0	-57.28	359.64	4.25	-53.03
COC1=CC(OC)=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1C=O	REAL300020213984	1	46	-1.0	-57.27	359.67	4.26	-53.01
NC1=C2N=CN(CCCC(=O)N3CCCCC3CC3=N[N-]N=N3)C2=NC=N1	REAL300020213985	0	48	-1.0	-57.89	378.26	6.66	-51.23
NC1=C2N=CN(CCCC(=O)N3CCCCC3CC3=NN=N[N-]3)C2=NC=N1	REAL300020213985	1	48	-1.0	-57.91	378.31	6.68	-51.23
NC1=C2N=CN(CCCCC(=O)N3CCCCC3CC3=N[N-]N=N3)C2=NC=N1	REAL300020213986	0	51	-1.0	-53.21	404.46	7.04	-46.17
NC1=C2N=CN(CCCCC(=O)N3CCCCC3CC3=NN=N[N-]3)C2=NC=N1	REAL300020213986	1	51	-1.0	-53.19	404.52	7.06	-46.13
O=C(CC(O)COCC1=CC=CC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213987	0	50	-1.0	-54.67	389.88	4.90	-49.77
O=C(CC(O)COCC1=CC=CC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213987	1	50	-1.0	-54.65	389.93	4.90	-49.75
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C(Cl)=NN1	REAL300020213988	0	36	-1.0	-46.69	306.09	2.69	-44.00
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C(Cl)=NN1	REAL300020213988	1	36	-1.0	-46.68	306.15	2.70	-43.98
O=C(C1CC(O)(C2=CC=CC(Cl)=C2)C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213989	0	47	-1.0	-46.54	374.28	5.11	-41.43
O=C(C1CC(O)(C2=CC=CC(Cl)=C2)C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213989	1	47	-1.0	-46.54	374.34	5.13	-41.41
CN(C(=O)OC(C)(C)C)C1CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020213990	0	56	-1.0	-58.59	414.10	6.14	-52.45
CN(C(=O)OC(C)(C)C)C1CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020213990	1	56	-1.0	-58.61	414.16	6.15	-52.46
O=C(C1=C2C=CC=CN2C(C(F)(F)F)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213991	0	42	-1.0	-51.83	343.24	7.63	-44.20
O=C(C1=C2C=CC=CN2C(C(F)(F)F)=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213991	1	42	-1.0	-51.85	343.19	7.63	-44.22
CS(C)(=O)=NC1=CC=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020213992	0	46	-1.0	-65.34	360.54	3.68	-61.66
CS(C)(=O)=NC1=CC=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020213992	1	46	-1.0	-65.28	360.58	3.70	-61.58
CC1CCC2=NC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=CN2C1	REAL300020213993	0	46	-1.0	-52.66	343.83	7.00	-45.66
CC1CCC2=NC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=CN2C1	REAL300020213993	1	46	-1.0	-52.66	343.89	7.00	-45.66
O=C(C=CC1=CC=CC(C2=CC=CC=C2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213994	0	50	-1.0	-52.43	385.86	10.33	-42.10
O=C(C=CC1=CC=CC(C2=CC=CC=C2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213994	1	50	-1.0	-52.42	385.91	10.33	-42.09
CC1=NC=C(C=CC(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020213995	0	39	-1.0	-49.37	318.95	4.90	-44.47
CC1=NC=C(C=CC(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020213995	1	39	-1.0	-49.36	319.01	4.90	-44.46
O=C(C1=CC(N2CCCC2=O)=CN=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020213996	0	46	-1.0	-59.61	352.57	4.64	-54.97
O=C(C1=CC(N2CCCC2=O)=CN=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020213996	1	46	-1.0	-59.56	352.54	4.63	-54.93
O=C(C1=CC=NC2=CC=NN21)N1CCCCC1CC1=NN=N[N-]1	REAL300020213997	0	38	-1.0	-52.48	298.86	4.83	-47.65
O=C(C1=CC=NC2=CC=NN21)N1CCCCC1CC1=N[N-]N=N1	REAL300020213997	1	38	-1.0	-52.46	298.78	4.83	-47.63
NC(=O)C1=CC=C(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020213998	0	42	-1.0	-53.23	339.59	1.10	-52.13
NC(=O)C1=CC=C(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020213998	1	42	-1.0	-53.25	339.52	1.10	-52.15
O=CC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020213999	0	35	-1.0	-47.93	295.24	4.22	-43.71
O=CC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020213999	1	35	-1.0	-47.95	295.29	4.24	-43.71
O=C(C1=NC=CN=C1Cl)N1CCCCC1CC1=NN=N[N-]1	REAL300020214000	0	34	-1.0	-51.44	283.82	2.77	-48.67
O=C(C1=NC=CN=C1Cl)N1CCCCC1CC1=N[N-]N=N1	REAL300020214000	1	34	-1.0	-51.48	283.77	2.77	-48.71
O=C(C1=NC2=CC=NN2C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214001	0	38	-1.0	-49.00	301.41	5.13	-43.87
O=C(C1=NC2=CC=NN2C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214001	1	38	-1.0	-48.98	301.35	5.12	-43.86
CN1C=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)N(C)C1=O	REAL300020214002	0	40	-1.0	-50.66	310.98	4.06	-46.60
CN1C=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)N(C)C1=O	REAL300020214002	1	40	-1.0	-50.65	310.97	4.08	-46.57
CC1=C(C)C(=O)N(CCC(=O)N2CCCCC2CC2=N[N-]N=N2)C1=O	REAL300020214003	0	46	-1.0	-54.56	365.76	5.12	-49.44
CC1=C(C)C(=O)N(CCC(=O)N2CCCCC2CC2=NN=N[N-]2)C1=O	REAL300020214003	1	46	-1.0	-54.59	365.81	5.13	-49.46
O=C(C1CC2CSCC(C1)C2=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020214004	0	46	-1.0	-51.76	335.98	5.71	-46.05
O=C(C1CC2CSCC(C1)C2=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020214004	1	46	-1.0	-51.74	336.03	5.72	-46.02
CCOC(=O)C1CCCN(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020214005	0	53	-1.0	-47.91	395.26	5.50	-42.41
CCOC(=O)C1CCC[N@H+](CC(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020214005	1	54	0.0	-52.24	395.89	7.63	-44.61
CCOC(=O)C1CCC[N@@H+](CC(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020214005	1	54	0.0	-52.49	395.55	7.66	-44.83
CCOC(=O)C1CCCN(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020214005	1	53	-1.0	-47.96	395.31	5.52	-42.44
CCC(C)C(C(=O)N1CCCCC1CC1=N[N-]N=N1)N1C=CC=C1C=O	REAL300020214006	0	51	-1.0	-51.24	354.67	7.22	-44.02
CCC(C)C(C(=O)N1CCCCC1CC1=NN=N[N-]1)N1C=CC=C1C=O	REAL300020214006	1	51	-1.0	-51.27	354.67	7.21	-44.06
O=C(C1CCC([NH+]2CCOCC2)CC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214007	0	56	0.0	-70.27	389.16	6.29	-63.98
O=C(C1CCC([NH+]2CCOCC2)CC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214007	1	56	0.0	-70.25	389.22	6.29	-63.96
O=C(C1CCC(N2CCOCC2)CC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020214007	1	55	-1.0	-47.96	381.19	3.89	-44.07
O=C(C1CCC(N2CCOCC2)CC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020214007	1	55	-1.0	-47.99	381.24	3.90	-44.09
O=CC1=CC=C(C=CC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020214008	0	42	-1.0	-53.69	335.21	6.65	-47.04
O=CC1=CC=C(C=CC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020214008	1	42	-1.0	-53.70	335.26	6.66	-47.04
O=CC1=CC(F)=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1F	REAL300020214009	0	38	-1.0	-52.92	311.07	5.19	-47.73
O=CC1=CC(F)=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1F	REAL300020214009	1	38	-1.0	-52.87	311.06	5.20	-47.67
CN1CCOC2=CC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C21	REAL300020214010	0	46	-1.0	-49.69	345.25	3.97	-45.72
CN1CCOC2=CC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C21	REAL300020214010	1	46	-1.0	-49.68	345.28	3.98	-45.70
CC1CCN2C=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)N=C2C1	REAL300020214011	0	46	-1.0	-52.60	343.82	7.02	-45.58
CC1CCN2C=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)N=C2C1	REAL300020214011	1	46	-1.0	-52.59	343.87	7.02	-45.57
CN1CC[N@H+](C)CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020214012	0	50	0.0	-54.30	344.27	4.17	-50.13
CN1CC[N@@H+](C)CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020214012	1	50	0.0	-64.54	346.22	3.22	-61.32
CN1CC[N@H+](C)CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020214012	1	50	0.0	-54.34	344.32	4.19	-50.15
CN1CC[N@@H+](C)CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020214012	1	50	0.0	-64.58	346.28	3.22	-61.36
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N#CC1=CC=C(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C(F)=C1	REAL300020215530	0	40	-1.0	-50.96	334.00	6.46	-44.50
N#CC1=CC=C(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C(F)=C1	REAL300020215530	1	40	-1.0	-50.93	334.07	6.47	-44.46
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CC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC([N+](=O)[O-])=C1Cl	REAL300020215533	0	41	-1.0	-45.71	336.65	6.93	-38.78
CC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC([N+](=O)[O-])=C1Cl	REAL300020215533	1	41	-1.0	-45.69	336.69	6.94	-38.75
CC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C2C(=O)CCCC2=N1	REAL300020215534	0	47	-1.0	-57.72	356.18	6.98	-50.74
CC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C2C(=O)CCCC2=N1	REAL300020215534	1	47	-1.0	-57.75	356.23	7.00	-50.75
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NC1=NC(C(F)(F)C(=O)N2CCCCC2CC2=NN=N[N-]2)=CS1	REAL300020215536	0	37	-1.0	-45.48	307.83	3.29	-42.19
NC1=NC(C(F)(F)C(=O)N2CCCCC2CC2=N[N-]N=N2)=CS1	REAL300020215536	1	37	-1.0	-45.50	307.80	3.26	-42.24
CCC(C(=O)N1CCCCC1CC1=NN=N[N-]1)N1C=CC=N1	REAL300020215537	0	42	-1.0	-42.94	316.20	4.87	-38.07
CCC(C(=O)N1CCCCC1CC1=N[N-]N=N1)N1C=CC=N1	REAL300020215537	1	42	-1.0	-42.95	316.16	4.86	-38.09
CCOCC1=NC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CS1	REAL300020215538	0	42	-1.0	-51.00	340.00	3.91	-47.09
CCOCC1=NC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CS1	REAL300020215538	1	42	-1.0	-51.02	340.05	3.93	-47.09
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)N=NN1C1CCOC1	REAL300020215539	0	46	-1.0	-48.83	348.48	3.12	-45.71
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)N=NN1C1CCOC1	REAL300020215539	1	46	-1.0	-48.81	348.53	3.13	-45.68
CC(=O)C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1F	REAL300020215540	0	41	-1.0	-55.25	329.60	6.12	-49.13
CC(=O)C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1F	REAL300020215540	1	41	-1.0	-55.27	329.64	6.13	-49.14
O=C(C1CC2(CC(=O)N2)C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215541	0	41	-1.0	-54.54	315.23	1.80	-52.74
O=C(C1CC2(CC(=O)N2)C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215541	1	41	-1.0	-54.53	315.29	1.82	-52.71
O=C(C1CCC2=NN=NN2C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215542	0	41	-1.0	-47.03	308.60	3.15	-43.88
O=C(C1CCC2=NN=NN2C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215542	1	41	-1.0	-47.02	308.64	3.15	-43.87
COCN1N=CC=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215543	0	40	-1.0	-49.50	312.81	1.71	-47.79
COCN1N=CC=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215543	1	40	-1.0	-49.50	312.68	1.70	-47.80
CC1=C2C=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)NC2=CC(Cl)=C1	REAL300020215544	0	43	-1.0	-47.63	351.33	6.83	-40.80
CC1=C2C=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)NC2=CC(Cl)=C1	REAL300020215544	1	43	-1.0	-48.00	351.64	6.78	-41.22
CC1=C(C)NC(CCC(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020215545	0	45	-1.0	-47.85	350.39	4.68	-43.17
CC1=C(C)NC(CCC(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020215545	1	45	-1.0	-47.85	350.45	4.70	-43.15
N#CCCCOC1=CC=C(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020215546	0	50	-1.0	-52.21	396.54	8.00	-44.21
N#CCCCOC1=CC=C(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020215546	1	50	-1.0	-52.25	396.59	8.00	-44.25
CN1C=CC(C(=O)NC2=CC=CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=C2)=N1	REAL300020215547	0	50	-1.0	-61.65	397.61	5.17	-56.48
CN1C=CC(C(=O)NC2=CC=CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=C2)=N1	REAL300020215547	1	50	-1.0	-61.65	397.58	5.16	-56.49
O=C(CN1N=NN=C1C1CC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215548	0	41	-1.0	-56.66	330.38	3.91	-52.75
O=C(CN1N=NN=C1C1CC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215548	1	41	-1.0	-56.65	330.43	3.92	-52.73
C[C@@H]1[C@H](C(=O)N2CCCCC2CC2=N[N-]N=N2)CCCN1C(=O)OC(C)(C)C	REAL300020215549	0	59	-1.0	-53.45	408.75	7.73	-45.72
C[C@@H]1[C@H](C(=O)N2CCCCC2CC2=NN=N[N-]2)CCCN1C(=O)OC(C)(C)C	REAL300020215549	1	59	-1.0	-53.49	408.78	7.74	-45.75
C[C@@H]1C[C@H](C(=O)N2CCCCC2CC2=N[N-]N=N2)CN(C(=O)OC(C)(C)C)C1	REAL300020215550	0	59	-1.0	-46.93	425.10	6.96	-39.97
C[C@@H]1C[C@H](C(=O)N2CCCCC2CC2=NN=N[N-]2)CN(C(=O)OC(C)(C)C)C1	REAL300020215550	1	59	-1.0	-46.89	425.15	6.98	-39.91
CC(C)(C)OC(=O)NCCSCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215551	0	53	-1.0	-54.22	414.12	4.61	-49.61
CC(C)(C)OC(=O)NCCSCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215551	1	53	-1.0	-54.23	414.18	4.62	-49.61
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NC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=NN1CCO	REAL300020215553	0	42	-1.0	-46.29	329.69	-0.17	-46.46
NC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=NN1CCO	REAL300020215553	1	42	-1.0	-46.32	329.56	-0.19	-46.51
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NC(=O)C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1Cl	REAL300020215555	0	40	-1.0	-51.49	326.90	2.68	-48.81
NC(=O)C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1Cl	REAL300020215555	1	40	-1.0	-51.51	326.94	2.68	-48.83
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COC1=NC2=CC=CC=C2C=C1C=CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215557	0	49	-1.0	-56.26	384.00	5.89	-50.37
COC1=NC2=CC=CC=C2C=C1C=CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215557	1	49	-1.0	-56.23	384.05	5.90	-50.33
CN1C=C(C=CC(=O)N2CCCCC2CC2=N[N-]N=N2)C(=O)N(C)C1=O	REAL300020215558	0	46	-1.0	-54.34	357.61	5.31	-49.03
CN1C=C(C=CC(=O)N2CCCCC2CC2=NN=N[N-]2)C(=O)N(C)C1=O	REAL300020215558	1	46	-1.0	-54.29	357.66	5.32	-48.97
CCN1C=C(Cl)C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020215559	0	39	-1.0	-52.92	317.93	5.15	-47.77
CCN1C=C(Cl)C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020215559	1	39	-1.0	-52.94	317.88	5.15	-47.79
O=C(C1=NN=C2C=CC(Br)=CN21)N1CCCCC1CC1=NN=N[N-]1	REAL300020215560	0	38	-1.0	-48.07	319.59	6.83	-41.24
O=C(C1=NN=C2C=CC(Br)=CN21)N1CCCCC1CC1=N[N-]N=N1	REAL300020215560	1	38	-1.0	-48.10	319.54	6.83	-41.27
COC1=NC=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1Br	REAL300020215561	0	39	-1.0	-49.80	321.84	2.69	-47.11
COC1=NC=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1Br	REAL300020215561	1	39	-1.0	-49.84	321.81	2.68	-47.16
COC1=NSC(C=CC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020215562	0	40	-1.0	-46.37	331.56	2.93	-43.44
COC1=NSC(C=CC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020215562	1	40	-1.0	-46.38	331.62	2.94	-43.44
CC(C)N1N=CC2=C1NC(=O)C(C=CC(=O)N1CCCCC1CC1=N[N-]N=N1)=C2	REAL300020215563	0	52	-1.0	-55.86	404.51	6.55	-49.31
CC(C)N1N=CC2=C1NC(=O)C(C=CC(=O)N1CCCCC1CC1=NN=N[N-]1)=C2	REAL300020215563	1	52	-1.0	-55.84	404.57	6.58	-49.26
CC(C)C1=NC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CO1	REAL300020215564	0	41	-1.0	-47.86	318.68	3.42	-44.44
CC(C)C1=NC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CO1	REAL300020215564	1	41	-1.0	-47.83	318.73	3.43	-44.40
CC(C)CC1=NN=C2C(C(=O)N3CCCCC3CC3=N[N-]N=N3)=CC=CN12	REAL300020215565	0	50	-1.0	-53.28	378.09	8.20	-45.08
CC(C)CC1=NN=C2C(C(=O)N3CCCCC3CC3=NN=N[N-]3)=CC=CN12	REAL300020215565	1	50	-1.0	-53.22	378.13	8.21	-45.01
COC1(C(F)(F)C(=O)N2CCCCC2CC2=N[N-]N=N2)CCC1	REAL300020215566	0	43	-1.0	-45.37	322.28	4.89	-40.48
COC1(C(F)(F)C(=O)N2CCCCC2CC2=NN=N[N-]2)CCC1	REAL300020215566	1	43	-1.0	-45.41	322.33	4.91	-40.50
CCC(C(=O)N1CCCCC1CC1=N[N-]N=N1)C1CCOCC1	REAL300020215567	0	49	-1.0	-47.06	335.17	5.12	-41.94
CCC(C(=O)N1CCCCC1CC1=NN=N[N-]1)C1CCOCC1	REAL300020215567	1	49	-1.0	-47.09	335.25	5.12	-41.97
O=C(C1=CSC(CC(F)(F)F)=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215568	0	38	-1.0	-49.68	325.13	5.06	-44.62
O=C(C1=CSC(CC(F)(F)F)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215568	1	38	-1.0	-49.65	325.18	5.07	-44.58
CC(C)(C)OC1CC(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C12CCC2	REAL300020215569	0	59	-1.0	-48.21	424.26	8.39	-39.82
CC(C)(C)OC1CC(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C12CCC2	REAL300020215569	1	59	-1.0	-48.17	424.30	8.41	-39.76
O=C(CCC1CCC(=O)NC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215570	0	46	-1.0	-52.02	347.39	3.08	-48.94
O=C(CCC1CCC(=O)NC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215570	1	46	-1.0	-52.02	347.46	3.10	-48.92
O=C(CC1CSC2=CC=CC=C2NC1=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215571	0	48	-1.0	-56.29	376.28	7.11	-49.18
O=C(CC1CSC2=CC=CC=C2NC1=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215571	1	48	-1.0	-56.25	376.34	7.12	-49.13
O=C(C1=COC2=C(F)C=C(F)C=C12)N1CCCCC1CC1=N[N-]N=N1	REAL300020215572	0	39	-1.0	-53.24	324.17	5.95	-47.29
O=C(C1=COC2=C(F)C=C(F)C=C12)N1CCCCC1CC1=NN=N[N-]1	REAL300020215572	1	39	-1.0	-52.96	324.21	6.01	-46.95
CCC1=CC=CC2=CC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)N=C21	REAL300020215573	0	47	-1.0	-52.11	358.27	8.05	-44.06
CCC1=CC=CC2=CC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)N=C21	REAL300020215573	1	47	-1.0	-52.10	358.19	8.04	-44.06
O=C(C1=CC=C(C2(C(F)(F)F)CC2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215574	0	46	-1.0	-50.70	363.14	8.21	-42.49
O=C(C1=CC=C(C2(C(F)(F)F)CC2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215574	1	46	-1.0	-50.69	363.18	8.21	-42.48
O=C(C1=CN(C2=NC(C3CC3)=NS2)C=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215575	0	45	-1.0	-48.42	372.31	8.82	-39.60
O=C(C1=CN(C2=NC(C3CC3)=NS2)C=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215575	1	45	-1.0	-48.43	372.25	8.82	-39.61
O=C(C(F)CC1CCCC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215576	0	45	-1.0	-46.32	331.46	6.74	-39.58
O=C(C(F)CC1CCCC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215576	1	45	-1.0	-46.30	331.51	6.76	-39.54
CC1(C)CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)C1C(F)(F)F	REAL300020215577	0	45	-1.0	-51.11	341.10	6.62	-44.49
CC1(C)CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)C1C(F)(F)F	REAL300020215577	1	45	-1.0	-51.12	341.15	6.62	-44.50
O=C(C1CC2(C1)CCCO2)N1CCCCC1CC1=N[N-]N=N1	REAL300020215578	0	44	-1.0	-50.75	329.25	4.33	-46.42
O=C(C1CC2(C1)CCCO2)N1CCCCC1CC1=NN=N[N-]1	REAL300020215578	1	44	-1.0	-50.75	329.31	4.35	-46.40
O=C(C1=CC=C2C(=C1)CCNC2=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215579	0	44	-1.0	-52.68	339.56	3.85	-48.83
O=C(C1=CC=C2C(=C1)CCNC2=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215579	1	44	-1.0	-52.72	339.59	3.85	-48.87
CC(C)N1CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)CCC1=O	REAL300020215580	0	49	-1.0	-48.79	353.87	5.41	-43.38
CC(C)N1CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)CCC1=O	REAL300020215580	1	49	-1.0	-48.80	353.92	5.41	-43.39
O=C(C1=CC=C2CNC(=O)C2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215581	0	41	-1.0	-58.04	322.14	2.86	-55.18
O=C(C1=CC=C2CNC(=O)C2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215581	1	41	-1.0	-58.09	322.17	2.88	-55.21
CCOC(=O)C1=NC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CS1	REAL300020215582	0	41	-1.0	-48.08	341.80	4.89	-43.19
CCOC(=O)C1=NC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CS1	REAL300020215582	1	41	-1.0	-48.02	341.74	4.88	-43.14
NC(=O)C1=NOC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020215583	0	36	-1.0	-47.43	293.42	-0.33	-47.76
NC(=O)C1=NOC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020215583	1	36	-1.0	-47.40	293.36	-0.36	-47.76
C[C@@H](CC(=O)N1CCCCC1CC1=N[N-]N=N1)C1=CC=C(C(F)(F)F)C=C1	REAL300020215584	0	48	-1.0	-46.58	376.69	8.70	-37.88
C[C@@H](CC(=O)N1CCCCC1CC1=NN=N[N-]1)C1=CC=C(C(F)(F)F)C=C1	REAL300020215584	1	48	-1.0	-46.56	376.74	8.70	-37.86
C[C@@H](CC(=O)N1CCCCC1CC1=N[N-]N=N1)C1=CC=C2OCOC2=C1	REAL300020215585	0	48	-1.0	-48.15	362.64	6.43	-41.72
C[C@@H](CC(=O)N1CCCCC1CC1=NN=N[N-]1)C1=CC=C2OCOC2=C1	REAL300020215585	1	48	-1.0	-48.20	362.68	6.45	-41.75
O=C(CC1CCCC2(CCC2)O1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215586	0	50	-1.0	-51.47	367.73	6.75	-44.72
O=C(CC1CCCC2(CCC2)O1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215586	1	50	-1.0	-51.43	367.80	6.75	-44.68
CC(C)(C)OC(=O)N[C@H](CC(=O)N1CCCCC1CC1=N[N-]N=N1)C1CC1	REAL300020215587	0	56	-1.0	-55.61	410.73	6.55	-49.06
CC(C)(C)OC(=O)N[C@H](CC(=O)N1CCCCC1CC1=NN=N[N-]1)C1CC1	REAL300020215587	1	56	-1.0	-55.62	410.78	6.55	-49.07
CC(C)(C)OC(=O)N[C@@H](CC(=O)N1CCCCC1CC1=N[N-]N=N1)C1CC1	REAL300020215588	0	56	-1.0	-56.18	413.92	5.82	-50.36
CC(C)(C)OC(=O)N[C@@H](CC(=O)N1CCCCC1CC1=NN=N[N-]1)C1CC1	REAL300020215588	1	56	-1.0	-56.19	413.98	5.82	-50.37
CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215589	0	56	-1.0	-45.40	412.91	6.81	-38.59
CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215589	1	56	-1.0	-45.38	412.93	6.81	-38.57
CC1=C(Br)C=NN1CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215590	0	39	-1.0	-51.43	328.65	4.59	-46.84
CC1=C(Br)C=NN1CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215590	1	39	-1.0	-51.42	328.71	4.60	-46.82
O=C(C1CNC(=O)CC12CCC2)N1CCCCC1CC1=N[N-]N=N1	REAL300020215591	0	47	-1.0	-58.41	339.36	3.59	-54.82
O=C(C1CNC(=O)CC12CCC2)N1CCCCC1CC1=NN=N[N-]1	REAL300020215591	1	47	-1.0	-58.39	339.42	3.60	-54.79
O=C(CSC1=CC=CC=C1Br)N1CCCCC1CC1=N[N-]N=N1	REAL300020215592	0	40	-1.0	-51.24	345.65	7.13	-44.11
O=C(CSC1=CC=CC=C1Br)N1CCCCC1CC1=NN=N[N-]1	REAL300020215592	1	40	-1.0	-51.21	345.71	7.16	-44.05
COC1C[C@@H]2CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)C[C@H]12	REAL300020215593	0	47	-1.0	-48.72	344.79	4.87	-43.85
COC1C[C@@H]2CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)C[C@H]12	REAL300020215593	1	47	-1.0	-48.73	344.85	4.88	-43.85
O=C(CC1COCCN1CC(F)(F)F)N1CCCCC1CC1=N[N-]N=N1	REAL300020215594	0	48	-1.0	-49.55	355.07	3.79	-45.76
O=C(CC1COCCN1CC(F)(F)F)N1CCCCC1CC1=NN=N[N-]1	REAL300020215594	1	48	-1.0	-49.55	355.10	3.81	-45.74
CC1=CC2=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=CC=C2O1	REAL300020215595	0	42	-1.0	-52.70	326.92	6.49	-46.21
CC1=CC2=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=CC=C2O1	REAL300020215595	1	42	-1.0	-52.68	326.89	6.52	-46.16
C[C@@H]1CC[C@H](C(=O)N2CCCCC2CC2=N[N-]N=N2)CN1C(=O)OC(C)(C)C	REAL300020215596	0	59	-1.0	-47.94	420.23	7.09	-40.85
C[C@@H]1CC[C@H](C(=O)N2CCCCC2CC2=NN=N[N-]2)CN1C(=O)OC(C)(C)C	REAL300020215596	1	59	-1.0	-47.92	420.28	7.09	-40.83
O=C([C@H]1CCC2=CC=CC=C21)N1CCCCC1CC1=N[N-]N=N1	REAL300020215597	0	43	-1.0	-49.72	316.05	7.09	-42.63
O=C([C@H]1CCC2=CC=CC=C21)N1CCCCC1CC1=NN=N[N-]1	REAL300020215597	1	43	-1.0	-49.73	316.12	7.09	-42.64
CC1(C)C2CCC1(CC(=O)N1CCCCC1CC1=N[N-]N=N1)CC2	REAL300020215598	0	52	-1.0	-47.07	362.36	7.39	-39.68
CC1(C)C2CCC1(CC(=O)N1CCCCC1CC1=NN=N[N-]1)CC2	REAL300020215598	1	52	-1.0	-47.07	362.42	7.40	-39.67
O=C(CN1C=C(C2CCOC2)C=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215599	0	47	-1.0	-57.88	360.53	4.57	-53.31
O=C(CN1C=C(C2CCOC2)C=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215599	1	47	-1.0	-57.89	360.48	4.55	-53.34
O=C(C1=C2C=CN=C2NC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215600	0	39	-1.0	-70.38	300.23	4.67	-65.71
O=C(C1=C2C=CNC2=NC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215600	1	39	-1.0	-52.42	304.40	4.63	-47.79
O=C(C1=C2C=CN=C2NC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215600	1	39	-1.0	-70.35	300.27	4.67	-65.68
O=C(C1=C2C=CNC2=NC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215600	1	39	-1.0	-52.50	304.39	4.63	-47.87
O=C(C1CCC2(CCC2)CC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215601	0	49	-1.0	-50.24	346.12	7.40	-42.84
O=C(C1CCC2(CCC2)CC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215601	1	49	-1.0	-50.22	346.17	7.41	-42.81
CCC1=CC2=C(OCC2)C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020215602	0	47	-1.0	-54.81	356.63	6.66	-48.15
CCC1=CC2=C(OCC2)C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020215602	1	47	-1.0	-54.77	356.63	6.69	-48.08
O=C(C1=C2C=CSC2=CC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215603	0	39	-1.0	-53.15	306.59	6.64	-46.51
O=C(C1=C2C=CSC2=CC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215603	1	39	-1.0	-53.12	306.64	6.64	-46.48
O=C(C1=CC=C(CN2C=C(Cl)C=N2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215604	0	46	-1.0	-54.77	380.61	7.57	-47.20
O=C(C1=CC=C(CN2C=C(Cl)C=N2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215604	1	46	-1.0	-54.75	380.58	7.54	-47.21
O=C(C1=CC(C(F)(F)F)=CS1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215605	0	36	-1.0	-47.86	308.87	5.37	-42.49
O=C(C1=CC(C(F)(F)F)=CS1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215605	1	36	-1.0	-47.86	308.93	5.37	-42.49
NC1=CC(S(N)(=O)=O)=CC=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215606	0	43	-1.0	-41.61	349.52	-0.99	-42.60
NC1=CC(S(N)(=O)=O)=CC=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215606	1	43	-1.0	-41.57	349.58	-0.98	-42.55
O=C(C1=CC=CC(OCC2CC2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215607	0	47	-1.0	-50.78	363.12	7.18	-43.60
O=C(C1=CC=CC(OCC2CC2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215607	1	47	-1.0	-50.78	363.15	7.19	-43.59
CSC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C(Cl)=C1	REAL300020215608	0	40	-1.0	-48.11	331.95	6.80	-41.31
CSC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C(Cl)=C1	REAL300020215608	1	40	-1.0	-48.09	331.91	6.81	-41.28
CC1=C(Cl)C=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1Br	REAL300020215609	0	39	-1.0	-45.92	330.80	6.94	-38.98
CC1=C(Cl)C=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1Br	REAL300020215609	1	39	-1.0	-45.93	330.85	6.94	-38.99
O=C(C1=C2SC(C(F)F)=NC2=CC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215610	0	41	-1.0	-52.54	343.03	5.77	-46.77
O=C(C1=C2SC(C(F)F)=NC2=CC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215610	1	41	-1.0	-52.59	343.04	5.80	-46.79
CC(F)(F)C1=CC=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020215611	0	42	-1.0	-47.99	335.45	7.08	-40.91
CC(F)(F)C1=CC=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020215611	1	42	-1.0	-47.99	335.50	7.10	-40.89
O=C(C1=CC=C2C=CSC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215612	0	39	-1.0	-49.50	317.00	6.76	-42.74
O=C(C1=CC=C2C=CSC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215612	1	39	-1.0	-49.52	317.03	6.77	-42.75
COC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC(C)=N1	REAL300020215613	0	42	-1.0	-48.06	326.07	2.69	-45.37
COC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC(C)=N1	REAL300020215613	1	42	-1.0	-48.06	326.11	2.69	-45.37
CC1=NC=C2CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)CCC2=N1	REAL300020215614	0	47	-1.0	-48.46	351.77	5.84	-42.62
CC1=NC=C2CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)CCC2=N1	REAL300020215614	1	47	-1.0	-48.50	351.82	5.84	-42.66
CC1=C(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C(C(F)(F)F)=CO1	REAL300020215615	0	42	-1.0	-49.99	347.54	5.78	-44.21
CC1=C(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C(C(F)(F)F)=CO1	REAL300020215615	1	42	-1.0	-50.00	347.61	5.78	-44.22
CCC1=NC=C2CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)CCC2=N1	REAL300020215616	0	50	-1.0	-48.55	373.25	6.44	-42.11
CCC1=NC=C2CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)CCC2=N1	REAL300020215616	1	50	-1.0	-48.52	373.31	6.45	-42.07
O=C(N1CCCCC1CC1=N[N-]N=N1)C(F)(F)OC1=CC=CC=C1	REAL300020215617	0	40	-1.0	-43.99	323.08	5.84	-38.15
O=C(N1CCCCC1CC1=NN=N[N-]1)C(F)(F)OC1=CC=CC=C1	REAL300020215617	1	40	-1.0	-43.99	323.14	5.87	-38.12
CC1=CN(CC2=CC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2)N=C1	REAL300020215618	0	49	-1.0	-52.67	383.81	7.66	-45.01
CC1=CN(CC2=CC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2)N=C1	REAL300020215618	1	49	-1.0	-52.63	383.81	7.65	-44.98
COCCC(C)(C)CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215619	0	48	-1.0	-44.94	340.98	4.95	-39.99
COCCC(C)(C)CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215619	1	48	-1.0	-44.96	341.06	4.96	-40.00
O=C(C1=COC(C(F)F)=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215620	0	35	-1.0	-47.84	289.38	2.36	-45.48
O=C(C1=COC(C(F)F)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215620	1	35	-1.0	-47.88	289.43	2.37	-45.51
O=C(CCC1=CC=C(Br)S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215621	0	39	-1.0	-44.61	336.13	7.08	-37.53
O=C(CCC1=CC=C(Br)S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215621	1	39	-1.0	-44.62	336.18	7.08	-37.54
CC(C)(CC(=O)N1CCCCC1CC1=N[N-]N=N1)C(C)(F)F	REAL300020215622	0	44	-1.0	-42.67	317.14	5.98	-36.69
CC(C)(CC(=O)N1CCCCC1CC1=NN=N[N-]1)C(C)(F)F	REAL300020215622	1	44	-1.0	-42.71	317.23	5.99	-36.72
CN1C=CC(C23CC(CC2)C3C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020215623	0	50	-1.0	-53.24	368.08	6.99	-46.25
CN1C=CC(C23CC(CC2)C3C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020215623	1	50	-1.0	-53.31	367.92	6.98	-46.33
CC1=CC2=C(C=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)N2CC2CC2)S1	REAL300020215624	0	50	-1.0	-43.45	395.18	9.54	-33.91
CC1=CC2=C(C=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)N2CC2CC2)S1	REAL300020215624	1	50	-1.0	-43.46	395.22	9.57	-33.89
O=C(CCC=CBr)N1CCCCC1CC1=N[N-]N=N1	REAL300020215625	0	36	-1.0	-45.04	298.87	5.50	-39.54
O=C(CCC=CBr)N1CCCCC1CC1=NN=N[N-]1	REAL300020215625	1	36	-1.0	-45.07	298.92	5.50	-39.57
CC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C(C)C=N1	REAL300020215626	0	41	-1.0	-47.69	314.77	4.90	-42.79
CC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C(C)C=N1	REAL300020215626	1	41	-1.0	-47.73	314.82	4.92	-42.81
CC1=CC(F)=CC(C(C)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020215627	0	45	-1.0	-48.71	342.20	7.56	-41.15
CC1=CC(F)=CC(C(C)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020215627	1	45	-1.0	-48.69	342.28	7.55	-41.14
COC1=CN=C(C(F)(F)F)C=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215628	0	42	-1.0	-49.16	340.67	4.44	-44.72
COC1=CN=C(C(F)(F)F)C=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215628	1	42	-1.0	-49.13	340.63	4.44	-44.69
O=C(C1=CC2=C(C=CS2)N1CC(F)(F)F)N1CCCCC1CC1=N[N-]N=N1	REAL300020215629	0	43	-1.0	-46.07	358.24	7.58	-38.49
O=C(C1=CC2=C(C=CS2)N1CC(F)(F)F)N1CCCCC1CC1=NN=N[N-]1	REAL300020215629	1	43	-1.0	-46.10	358.27	7.59	-38.51
CC1(C)CCC2=CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=C(Cl)N=C2C1	REAL300020215630	0	51	-1.0	-49.50	385.61	7.34	-42.16
CC1(C)CCC2=CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=C(Cl)N=C2C1	REAL300020215630	1	51	-1.0	-49.50	385.60	7.35	-42.15
O=C(CC(C1=CC=CC=C1F)C(F)F)N1CCCCC1CC1=N[N-]N=N1	REAL300020215631	0	45	-1.0	-48.62	356.71	7.38	-41.24
O=C(CC(C1=CC=CC=C1F)C(F)F)N1CCCCC1CC1=NN=N[N-]1	REAL300020215631	1	45	-1.0	-48.59	356.79	7.41	-41.18
O=C(C1CCCC2=CC=NN21)N1CCCCC1CC1=N[N-]N=N1	REAL300020215632	0	43	-1.0	-50.43	316.55	5.41	-45.02
O=C(C1CCCC2=CC=NN21)N1CCCCC1CC1=NN=N[N-]1	REAL300020215632	1	43	-1.0	-50.46	316.60	5.42	-45.04
O=C(COC1=CC=CC=C1C(F)F)N1CCCCC1CC1=N[N-]N=N1	REAL300020215633	0	43	-1.0	-54.69	346.82	6.81	-47.88
O=C(COC1=CC=CC=C1C(F)F)N1CCCCC1CC1=NN=N[N-]1	REAL300020215633	1	43	-1.0	-54.67	346.88	6.83	-47.84
O=C(C1=CC=CC(C2CC2(F)F)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215634	0	43	-1.0	-54.21	340.19	7.57	-46.64
O=C(C1=CC=CC(C2CC2(F)F)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215634	1	43	-1.0	-54.20	340.23	7.59	-46.61
O=C(C1=CN=C2CCCC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215635	0	42	-1.0	-49.56	320.55	5.42	-44.14
O=C(C1=CN=C2CCCC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215635	1	42	-1.0	-49.55	320.59	5.41	-44.14
CC1=NC(C2CC2)=NC=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215636	0	44	-1.0	-41.83	343.91	6.12	-35.71
CC1=NC(C2CC2)=NC=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215636	1	44	-1.0	-41.77	343.96	6.14	-35.63
CCOC1=C2C=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)SC2=NC=C1	REAL300020215637	0	45	-1.0	-53.05	364.04	5.08	-47.97
CCOC1=C2C=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)SC2=NC=C1	REAL300020215637	1	45	-1.0	-53.07	363.98	5.08	-47.99
CC1(C)CCOC1CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215638	0	46	-1.0	-50.78	337.07	5.00	-45.78
CC1(C)CCOC1CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215638	1	46	-1.0	-50.76	337.14	5.02	-45.74
CC1=NN=C(CCC(=O)N2CCCCC2CC2=N[N-]N=N2)N1C	REAL300020215639	0	44	-1.0	-53.02	344.74	5.72	-47.30
CC1=NN=C(CCC(=O)N2CCCCC2CC2=NN=N[N-]2)N1C	REAL300020215639	1	44	-1.0	-53.06	344.80	5.74	-47.32
CCC1=NC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C(C)=N1	REAL300020215640	0	43	-1.0	-40.78	334.44	5.07	-35.71
CCC1=NC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C(C)=N1	REAL300020215640	1	43	-1.0	-40.79	334.49	5.09	-35.70
CC1=NC(C2CCOCC2)=NC=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215641	0	51	-1.0	-46.94	382.52	4.71	-42.23
CC1=NC(C2CCOCC2)=NC=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215641	1	51	-1.0	-46.95	382.59	4.73	-42.22
O=C([C@@H]1CO[C@@H]2CCCC[C@@H]21)N1CCCCC1CC1=N[N-]N=N1	REAL300020215642	0	47	-1.0	-50.38	332.33	5.12	-45.26
O=C([C@@H]1CO[C@@H]2CCCC[C@@H]21)N1CCCCC1CC1=NN=N[N-]1	REAL300020215642	1	47	-1.0	-50.32	332.38	5.14	-45.18
O=C(C1CC2CC1C1C2C1(F)F)N1CCCCC1CC1=N[N-]N=N1	REAL300020215643	0	44	-1.0	-49.52	318.87	6.85	-42.67
O=C(C1CC2CC1C1C2C1(F)F)N1CCCCC1CC1=NN=N[N-]1	REAL300020215643	1	44	-1.0	-49.52	318.91	6.86	-42.66
O=C(C1C2CC1(C1=CN=CS1)CC2)N1CCCCC1CC1=NN=N[N-]1	REAL300020215644	0	46	-1.0	-48.04	355.02	6.16	-41.88
O=C(C1C2CC1(C1=CN=CS1)CC2)N1CCCCC1CC1=N[N-]N=N1	REAL300020215644	1	46	-1.0	-48.06	354.96	6.13	-41.93
O=C(C1CCC2(CC1)COCCO2)N1CCCCC1CC1=N[N-]N=N1	REAL300020215645	0	51	-1.0	-54.63	361.25	4.87	-49.76
O=C(C1CCC2(CC1)COCCO2)N1CCCCC1CC1=NN=N[N-]1	REAL300020215645	1	51	-1.0	-54.62	361.30	4.90	-49.72
O=C(C1=CC=NC2=NC=CN=C12)N1CCCCC1CC1=NN=N[N-]1	REAL300020215646	0	39	-1.0	-58.68	306.69	2.99	-55.69
O=C(C1=CC=NC2=NC=CN=C12)N1CCCCC1CC1=N[N-]N=N1	REAL300020215646	1	39	-1.0	-58.71	306.65	2.98	-55.73
O=C(C=CC1=CC=C([N+](=O)[O-])S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215647	0	39	-1.0	-46.33	331.77	6.84	-39.49
O=C(C=CC1=CC=C([N+](=O)[O-])S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215647	1	39	-1.0	-46.29	331.82	6.84	-39.45
O=C([C@@H]1[C@H]2C[C@]1(C1=CC=CS1)CC2)N1CCCCC1CC1=N[N-]N=N1	REAL300020215648	0	47	-1.0	-46.47	353.37	8.51	-37.96
O=C([C@@H]1[C@H]2C[C@]1(C1=CC=CS1)CC2)N1CCCCC1CC1=NN=N[N-]1	REAL300020215648	1	47	-1.0	-46.38	353.40	8.52	-37.86
O=C(C1=NN2CCNS(=O)(=O)C2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215649	0	42	-1.0	-63.00	336.88	-0.78	-63.78
O=C(C1=NN2CCNS(=O)(=O)C2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215649	1	42	-1.0	-62.98	336.83	-0.79	-63.77
O=C([C@@H]1CC[C@H]2[C@@H](C1)C2(F)F)N1CCCCC1CC1=N[N-]N=N1	REAL300020215650	0	43	-1.0	-54.69	317.46	6.40	-48.29
O=C([C@@H]1CC[C@H]2[C@@H](C1)C2(F)F)N1CCCCC1CC1=NN=N[N-]1	REAL300020215650	1	43	-1.0	-54.73	317.51	6.40	-48.33
CC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=NC(C)=N1	REAL300020215651	0	40	-1.0	-48.03	311.73	4.79	-43.24
CC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=NC(C)=N1	REAL300020215651	1	40	-1.0	-48.03	311.79	4.80	-43.23
O=C(C1=CC2=C(CCCNC2=O)O1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215652	0	44	-1.0	-55.58	337.51	3.03	-52.55
O=C(C1=CC2=C(CCCNC2=O)O1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215652	1	44	-1.0	-55.56	337.56	3.04	-52.52
O=C(C1=NNC2=CC=C(F)C=C21)N1CCCCC1CC1=N[N-]N=N1	REAL300020215653	0	39	-1.0	-54.93	310.86	4.74	-50.19
O=C(C1=NNC2=CC=C(F)C=C21)N1CCCCC1CC1=NN=N[N-]1	REAL300020215653	1	39	-1.0	-54.91	310.91	4.74	-50.17
O=C(C(O)C1=CC(F)=C(F)C=C1F)N1CCCCC1CC1=N[N-]N=N1	REAL300020215654	0	40	-1.0	-43.28	319.80	3.85	-39.43
O=C(C(O)C1=CC(F)=C(F)C=C1F)N1CCCCC1CC1=NN=N[N-]1	REAL300020215654	1	40	-1.0	-43.27	319.88	3.88	-39.39
O=C(C(O)C1=CC(F)=C(F)C(F)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215655	0	40	-1.0	-45.59	324.49	4.03	-41.56
O=C(C(O)C1=CC(F)=C(F)C(F)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215655	1	40	-1.0	-45.60	324.55	4.03	-41.57
CCC1=NN(C)C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1Cl	REAL300020215656	0	42	-1.0	-45.58	344.95	5.15	-40.43
CCC1=NN(C)C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1Cl	REAL300020215656	1	42	-1.0	-45.56	345.00	5.17	-40.39
O=C(CSC1=CC=CC(F)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215657	0	40	-1.0	-50.20	328.03	7.01	-43.19
O=C(CSC1=CC=CC(F)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215657	1	40	-1.0	-50.22	328.08	7.02	-43.20
O=C(C1=CC2=C(C=C(Br)O2)N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215658	0	37	-1.0	-50.00	313.92	4.61	-45.39
O=C(C1=CC2=C(C=C(Br)O2)N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215658	1	37	-1.0	-50.02	314.01	4.61	-45.41
O=C(C1CCC(=O)N1CCC(F)(F)F)N1CCCCC1CC1=N[N-]N=N1	REAL300020215659	0	46	-1.0	-52.64	358.47	5.64	-47.00
O=C(C1CCC(=O)N1CCC(F)(F)F)N1CCCCC1CC1=NN=N[N-]1	REAL300020215659	1	46	-1.0	-52.68	358.53	5.65	-47.03
CC1=C(Cl)C=C(Br)C=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215660	0	39	-1.0	-44.67	333.07	7.10	-37.57
CC1=C(Cl)C=C(Br)C=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215660	1	39	-1.0	-44.67	333.12	7.12	-37.55
O=C(C1CC(=O)NC2=NC=CC=C21)N1CCCCC1CC1=NN=N[N-]1	REAL300020215661	0	43	-1.0	-49.25	330.56	3.68	-45.57
O=C(C1CC(=O)NC2=NC=CC=C21)N1CCCCC1CC1=N[N-]N=N1	REAL300020215661	1	43	-1.0	-49.22	330.51	3.67	-45.55
CC1(C)CCC2=CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=C(Cl)N=C2C1	REAL300020215662	0	51	-1.0	-49.50	385.61	7.34	-42.16
CC1(C)CCC2=CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=C(Cl)N=C2C1	REAL300020215662	1	51	-1.0	-49.50	385.60	7.35	-42.15
CC1=CC(C)=C2NC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=CC2=C1	REAL300020215663	0	46	-1.0	-49.39	352.86	7.07	-42.32
CC1=CC(C)=C2NC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=CC2=C1	REAL300020215663	1	46	-1.0	-49.45	352.91	7.08	-42.37
CC1=NC2=C(NC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=C2)S1	REAL300020215664	0	39	-1.0	-50.62	317.19	3.68	-46.94
CC1=NC2=C(NC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=C2)S1	REAL300020215664	1	39	-1.0	-50.61	317.24	3.69	-46.92
CC1(C)OCC2=C1NN=C2C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215665	0	44	-1.0	-52.63	335.94	3.03	-49.60
CC1(C)OCC2=C1NN=C2C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215665	1	44	-1.0	-52.63	335.99	3.04	-49.59
CC1(C)OCC2=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)NN=C21	REAL300020215665	1	44	-1.0	-48.53	334.20	2.88	-45.65
CC1(C)OCC2=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)NN=C21	REAL300020215665	1	44	-1.0	-48.49	334.25	2.89	-45.60
O=C(C1=CC(C2CCOCC2)=NN1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215666	0	47	-1.0	-48.49	351.28	3.66	-44.83
O=C(C1=CC(C2CCOCC2)=NN1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215666	1	47	-1.0	-48.45	351.33	3.68	-44.77
O=C(C1=CN(C2CCCC2)N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215667	0	46	-1.0	-48.65	343.15	5.79	-42.86
O=C(C1=CN(C2CCCC2)N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215667	1	46	-1.0	-48.66	343.19	5.80	-42.86
O=C(C1=NOC2=C1CC(F)(F)CC2)N1CCCCC1CC1=N[N-]N=N1	REAL300020215668	0	42	-1.0	-52.10	327.87	6.17	-45.93
O=C(C1=NOC2=C1CC(F)(F)CC2)N1CCCCC1CC1=NN=N[N-]1	REAL300020215668	1	42	-1.0	-52.12	327.92	6.18	-45.94
O=C(CCN1C=CC2=CC=CN=C21)N1CCCCC1CC1=NN=N[N-]1	REAL300020215669	0	45	-1.0	-54.85	352.01	7.63	-47.22
O=C(CCN1C=CC2=CC=CN=C21)N1CCCCC1CC1=N[N-]N=N1	REAL300020215669	1	45	-1.0	-54.83	351.95	7.62	-47.21
CC1=CC([N+](=O)[O-])=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1F	REAL300020215670	0	41	-1.0	-43.10	327.33	7.26	-35.84
CC1=CC([N+](=O)[O-])=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1F	REAL300020215670	1	41	-1.0	-43.08	327.38	7.26	-35.82
CCCC1=NC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CS1	REAL300020215671	0	41	-1.0	-49.42	327.47	5.43	-43.99
CCCC1=NC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CS1	REAL300020215671	1	41	-1.0	-49.46	327.52	5.44	-44.02
CC1=NN(C)C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1Cl	REAL300020215672	0	39	-1.0	-46.21	323.63	4.49	-41.72
CC1=NN(C)C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1Cl	REAL300020215672	1	39	-1.0	-46.21	323.68	4.50	-41.71
CC(C)(C)C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)N1	REAL300020215673	0	46	-1.0	-49.30	345.34	5.97	-43.33
CC(C)(C)C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)N1	REAL300020215673	1	46	-1.0	-49.29	345.40	5.97	-43.32
O=C(CS(=O)(=O)C1=CC=CC=C1F)N1CCCCC1CC1=N[N-]N=N1	REAL300020215674	0	42	-1.0	-64.98	346.52	3.53	-61.45
O=C(CS(=O)(=O)C1=CC=CC=C1F)N1CCCCC1CC1=NN=N[N-]1	REAL300020215674	1	42	-1.0	-64.99	346.58	3.53	-61.46
O=C(C1=CN=C(F)C(F)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215675	0	35	-1.0	-42.67	288.10	3.56	-39.11
O=C(C1=CN=C(F)C(F)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215675	1	35	-1.0	-42.64	288.07	3.55	-39.09
COC1=CC=C2C=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)NC2=N1	REAL300020215676	0	43	-1.0	-48.33	340.03	3.51	-44.82
COC1=CC=C2C=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)NC2=N1	REAL300020215676	1	43	-1.0	-48.37	340.17	3.51	-44.86
COC(=O)[C@@H]1C[C@]1(C)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215677	0	42	-1.0	-53.82	324.06	5.68	-48.14
COC(=O)[C@@H]1C[C@]1(C)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215677	1	42	-1.0	-53.78	324.13	5.68	-48.10
COC(=O)C1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C(C)S1	REAL300020215678	0	42	-1.0	-50.38	343.49	5.77	-44.61
COC(=O)C1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C(C)S1	REAL300020215678	1	42	-1.0	-50.37	343.46	5.79	-44.58
O=C(C1=CN=C(C2CCOCC2)NC1=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215679	0	49	-1.0	-58.04	370.98	2.97	-55.07
O=C(C1=CN=C(C2CCOCC2)NC1=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215679	1	49	-1.0	-57.98	371.07	2.97	-55.01
CC(C)(C)C1=NC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CN1	REAL300020215680	0	45	-1.0	-51.01	341.05	5.39	-45.62
CC(C)(C)C1=NC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CN1	REAL300020215680	1	45	-1.0	-51.01	341.10	5.39	-45.62
O=C(C1=C2C(F)=C(Cl)C=CN2N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215681	0	39	-1.0	-55.23	326.01	5.68	-49.55
O=C(C1=C2C(F)=C(Cl)C=CN2N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215681	1	39	-1.0	-55.25	326.00	5.67	-49.58
COC(=O)C1=CC2=C(S1)SC(C(=O)N1CCCCC1CC1=N[N-]N=N1)=C2	REAL300020215682	0	42	-1.0	-49.08	362.44	6.52	-42.56
COC(=O)C1=CC2=C(S1)SC(C(=O)N1CCCCC1CC1=NN=N[N-]1)=C2	REAL300020215682	1	42	-1.0	-49.08	362.50	6.53	-42.55
O=C([C@@H]1CCC2=CC=CC=C21)N1CCCCC1CC1=N[N-]N=N1	REAL300020215683	0	43	-1.0	-48.69	319.65	7.17	-41.52
O=C([C@@H]1CCC2=CC=CC=C21)N1CCCCC1CC1=NN=N[N-]1	REAL300020215683	1	43	-1.0	-48.65	319.73	7.17	-41.48
CCN1C=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC1=O	REAL300020215684	0	42	-1.0	-55.50	326.90	5.15	-50.35
CCN1C=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC1=O	REAL300020215684	1	42	-1.0	-55.53	326.93	5.15	-50.38
O=C(C1=CC=C2CCOC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215685	0	41	-1.0	-53.51	313.18	5.18	-48.33
O=C(C1=CC=C2CCOC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215685	1	41	-1.0	-53.51	313.23	5.18	-48.33
COC1=CC=NC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1F	REAL300020215686	0	39	-1.0	-59.81	307.01	4.00	-55.81
COC1=CC=NC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1F	REAL300020215686	1	39	-1.0	-59.81	306.96	3.99	-55.82
O=C(C1=CC2=C(S1)C1=CC=CC=C1NC2=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215687	0	45	-1.0	-63.73	366.73	6.03	-57.70
O=C(C1=CC2=C(S1)C1=CC=CC=C1NC2=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215687	1	45	-1.0	-63.75	366.77	6.03	-57.72
N#CCN1C=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020215688	0	37	-1.0	-58.14	302.24	4.37	-53.77
N#CCN1C=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020215688	1	37	-1.0	-58.17	302.18	4.36	-53.81
O=C(CSC1=CC=CC(Cl)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215689	0	40	-1.0	-49.52	338.35	7.45	-42.07
O=C(CSC1=CC=CC(Cl)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215689	1	40	-1.0	-49.58	338.40	7.46	-42.12
O=C(CC1C[C@@H]2COC[C@H]12)N1CCCCC1CC1=N[N-]N=N1	REAL300020215690	0	44	-1.0	-50.47	329.23	4.43	-46.04
O=C(CC1C[C@@H]2COC[C@H]12)N1CCCCC1CC1=NN=N[N-]1	REAL300020215690	1	44	-1.0	-50.47	329.30	4.43	-46.04
COCC1=CN=C(OC)C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020215691	0	46	-1.0	-52.49	358.50	2.38	-50.11
COCC1=CN=C(OC)C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020215691	1	46	-1.0	-52.51	358.47	2.38	-50.13
CC1=CC=C2C(=C1)C=CN2CCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215692	0	49	-1.0	-46.06	383.29	8.71	-37.35
CC1=CC=C2C(=C1)C=CN2CCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215692	1	49	-1.0	-46.05	383.36	8.71	-37.34
COC1=CC=C(C(C)=CC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020215693	0	47	-1.0	-47.21	361.38	7.02	-40.19
COC1=CC=C(C(C)=CC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020215693	1	47	-1.0	-47.19	361.43	7.03	-40.16
O=C(CN1N=NC(C2CC2)=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215694	0	41	-1.0	-55.04	331.67	3.56	-51.48
O=C(CN1N=NC(C2CC2)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215694	1	41	-1.0	-55.04	331.73	3.59	-51.45
CC1(C)OC2=CC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2O1	REAL300020215695	0	45	-1.0	-48.64	348.28	5.67	-42.97
CC1(C)OC2=CC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2O1	REAL300020215695	1	45	-1.0	-48.66	348.32	5.69	-42.97
COC1=CC=C(C(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C(F)F)C=C1	REAL300020215696	0	49	-1.0	-47.56	380.49	6.80	-40.76
COC1=CC=C(C(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C(F)F)C=C1	REAL300020215696	1	49	-1.0	-47.55	380.55	6.82	-40.73
COC1=CC2=C(OCC2)C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020215697	0	45	-1.0	-54.09	343.23	4.52	-49.57
COC1=CC2=C(OCC2)C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020215697	1	45	-1.0	-54.05	343.23	4.53	-49.52
CC1=CC(=O)N(CCC(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020215698	0	44	-1.0	-52.60	349.53	5.46	-47.14
CC1=CC(=O)N(CCC(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020215698	1	44	-1.0	-52.58	349.60	5.46	-47.12
CC1=CSC2=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)N=CN=C12	REAL300020215699	0	40	-1.0	-50.13	328.00	5.93	-44.20
CC1=CSC2=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)N=CN=C12	REAL300020215699	1	40	-1.0	-50.17	327.95	5.92	-44.25
O=C([C@H]1CC(=O)N[C@@H](C2=CC=CC=C2)C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215700	0	50	-1.0	-52.16	378.17	5.79	-46.37
O=C([C@H]1CC(=O)N[C@@H](C2=CC=CC=C2)C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215700	1	50	-1.0	-52.16	378.22	5.80	-46.36
N#CCN1N=CC=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215701	0	37	-1.0	-49.59	299.18	3.80	-45.79
N#CCN1N=CC=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215701	1	37	-1.0	-49.63	299.01	3.76	-45.87
CC(C)(C)OC(=O)NC1=CN(CC(=O)N2CCCCC2CC2=N[N-]N=N2)N=C1	REAL300020215702	0	53	-1.0	-61.53	408.82	3.70	-57.83
CC(C)(C)OC(=O)NC1=CN(CC(=O)N2CCCCC2CC2=NN=N[N-]2)N=C1	REAL300020215702	1	53	-1.0	-61.56	408.88	3.71	-57.85
CC(C)(C)OC(=O)N1CC[C@H](OCC(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020215703	0	57	-1.0	-56.56	433.14	5.80	-50.76
CC(C)(C)OC(=O)N1CC[C@H](OCC(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020215703	1	57	-1.0	-56.57	433.20	5.81	-50.76
CC(C)(C)OC(=O)NC(C)(C)C=CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215704	0	56	-1.0	-48.46	411.07	5.22	-43.24
CC(C)(C)OC(=O)NC(C)(C)C=CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215704	1	56	-1.0	-48.50	411.12	5.24	-43.26
CC(C)(C)OC(=O)N[C@H]1C[C@@H](CCC(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020215705	0	59	-1.0	-50.57	438.85	6.08	-44.49
CC(C)(C)OC(=O)N[C@H]1C[C@@H](CCC(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020215705	1	59	-1.0	-50.63	438.90	6.09	-44.54
CC(C)(C)OC(=O)NCCOCCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215706	0	56	-1.0	-49.21	425.23	3.41	-45.80
CC(C)(C)OC(=O)NCCOCCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215706	1	56	-1.0	-49.17	425.28	3.42	-45.75
O=C(CC1=NN=C2COCCN12)N1CCCCC1CC1=N[N-]N=N1	REAL300020215707	0	43	-1.0	-64.70	332.11	3.94	-60.76
O=C(CC1=NN=C2COCCN12)N1CCCCC1CC1=NN=N[N-]1	REAL300020215707	1	43	-1.0	-64.77	332.15	3.95	-60.82
CC1=CC=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1N	REAL300020215708	0	41	-1.0	-41.79	312.79	4.81	-36.98
CC1=CC=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1N	REAL300020215708	1	41	-1.0	-41.76	312.85	4.83	-36.93
COC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C(N)C(OC)=C1OC	REAL300020215709	0	50	-1.0	-42.73	389.98	3.41	-39.32
COC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C(N)C(OC)=C1OC	REAL300020215709	1	50	-1.0	-42.76	390.03	3.44	-39.32
NC1=C(Cl)C=C(Cl)C=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215710	0	38	-1.0	-44.40	322.61	4.57	-39.83
NC1=C(Cl)C=C(Cl)C=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215710	1	38	-1.0	-44.40	322.67	4.59	-39.81
NC1=CC=C(Br)C=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215711	0	38	-1.0	-47.23	312.70	4.12	-43.11
NC1=CC=C(Br)C=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215711	1	38	-1.0	-47.20	312.75	4.14	-43.06
NC1=CC=C(Cl)C=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215712	0	38	-1.0	-47.31	308.13	4.02	-43.29
NC1=CC=C(Cl)C=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215712	1	38	-1.0	-47.32	308.18	4.03	-43.29
NC1=C(Cl)C=CC=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215713	0	38	-1.0	-46.64	305.80	4.07	-42.57
NC1=C(Cl)C=CC=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215713	1	38	-1.0	-46.64	305.85	4.07	-42.57
NC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=CC=C1C(F)(F)F	REAL300020215714	0	41	-1.0	-46.54	325.64	4.67	-41.87
NC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=CC=C1C(F)(F)F	REAL300020215714	1	41	-1.0	-46.54	325.70	4.67	-41.87
NC1=CC(F)=C(F)C=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215715	0	38	-1.0	-39.47	308.18	4.16	-35.31
NC1=CC(F)=C(F)C=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215715	1	38	-1.0	-39.46	308.23	4.16	-35.30
CC1=CC(Br)=C(N)C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020215716	0	41	-1.0	-38.87	334.84	5.41	-33.46
CC1=CC(Br)=C(N)C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020215716	1	41	-1.0	-38.86	334.89	5.41	-33.45
NC1=C(Br)C=C(F)C=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215717	0	38	-1.0	-44.57	316.40	4.27	-40.30
NC1=C(Br)C=C(F)C=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215717	1	38	-1.0	-44.57	316.46	4.30	-40.27
NC1=C(F)C=CC=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215718	0	38	-1.0	-38.72	301.01	4.13	-34.59
NC1=C(F)C=CC=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215718	1	38	-1.0	-38.75	301.06	4.13	-34.62
NC1=C(Br)C=CC=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215719	0	38	-1.0	-46.53	309.90	4.20	-42.33
NC1=C(Br)C=CC=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215719	1	38	-1.0	-46.54	309.95	4.21	-42.33
NC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=CC(Cl)=C1Cl	REAL300020215720	0	38	-1.0	-36.39	324.43	5.09	-31.30
NC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=CC(Cl)=C1Cl	REAL300020215720	1	38	-1.0	-36.33	324.49	5.09	-31.24
CC1=CC=C(F)C(N)=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215721	0	41	-1.0	-46.16	320.68	4.05	-42.11
CC1=CC=C(F)C(N)=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215721	1	41	-1.0	-46.22	320.74	4.05	-42.17
CC1=CC(F)=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1N	REAL300020215722	0	41	-1.0	-42.59	319.23	4.89	-37.70
CC1=CC(F)=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1N	REAL300020215722	1	41	-1.0	-42.56	319.28	4.90	-37.66
NC1=C(F)C=C(Br)C=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215723	0	38	-1.0	-44.40	318.24	4.20	-40.20
NC1=C(F)C=C(Br)C=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215723	1	38	-1.0	-44.40	318.30	4.23	-40.17
NC1=CC=C(C(F)(F)F)C=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215724	0	41	-1.0	-40.50	334.08	5.05	-35.45
NC1=CC=C(C(F)(F)F)C=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215724	1	41	-1.0	-40.52	334.14	5.07	-35.45
CC1=CC(Br)=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1N	REAL300020215725	0	41	-1.0	-40.59	334.11	5.44	-35.15
CC1=CC(Br)=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1N	REAL300020215725	1	41	-1.0	-40.58	334.16	5.44	-35.14
NC1=CC(F)=C(Br)C=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215726	0	38	-1.0	-38.08	322.45	4.69	-33.39
NC1=CC(F)=C(Br)C=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215726	1	38	-1.0	-38.09	322.50	4.69	-33.40
CC1=CC(Cl)=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1N	REAL300020215727	0	41	-1.0	-40.93	329.55	5.32	-35.61
CC1=CC(Cl)=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1N	REAL300020215727	1	41	-1.0	-40.89	329.60	5.33	-35.56
CC1=CC(Cl)=C(N)C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020215728	0	41	-1.0	-38.91	330.73	5.28	-33.63
CC1=CC(Cl)=C(N)C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020215728	1	41	-1.0	-38.90	330.78	5.28	-33.62
NC1=CC(F)=C(Cl)C=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215729	0	38	-1.0	-38.17	318.05	4.59	-33.58
NC1=CC(F)=C(Cl)C=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215729	1	38	-1.0	-38.22	318.10	4.60	-33.62
NC1=C(Br)C=C(Cl)C=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215730	0	38	-1.0	-44.33	326.72	4.70	-39.63
NC1=C(Br)C=C(Cl)C=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215730	1	38	-1.0	-44.34	326.77	4.73	-39.61
CC1=CN(C2=CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=C(N)C=C2F)N=C1	REAL300020215731	0	48	-1.0	-46.05	378.50	5.91	-40.14
CC1=CN(C2=CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=C(N)C=C2F)N=C1	REAL300020215731	1	48	-1.0	-46.04	378.45	5.90	-40.14
COC1=CC(N)=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1S(C)(=O)=O	REAL300020215732	0	48	-1.0	-55.52	378.39	0.87	-54.65
COC1=CC(N)=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1S(C)(=O)=O	REAL300020215732	1	48	-1.0	-55.52	378.44	0.90	-54.62
CC1=C(Br)C=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1N	REAL300020215733	0	41	-1.0	-46.11	327.22	4.78	-41.33
CC1=C(Br)C=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1N	REAL300020215733	1	41	-1.0	-46.11	327.28	4.80	-41.31
CC1=C(F)C=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1N	REAL300020215734	0	41	-1.0	-46.00	314.47	4.29	-41.71
CC1=C(F)C=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1N	REAL300020215734	1	41	-1.0	-46.05	314.53	4.32	-41.73
CC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C(N)=C1Cl	REAL300020215735	0	41	-1.0	-46.93	324.55	4.65	-42.28
CC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C(N)=C1Cl	REAL300020215735	1	41	-1.0	-46.94	324.61	4.67	-42.27
CC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C(N)C=C1F	REAL300020215736	0	41	-1.0	-45.88	318.10	4.20	-41.68
CC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C(N)C=C1F	REAL300020215736	1	41	-1.0	-45.88	318.15	4.22	-41.66
NC1=C(Cl)C=C(F)C=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215737	0	38	-1.0	-44.65	312.30	4.14	-40.51
NC1=C(Cl)C=C(F)C=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215737	1	38	-1.0	-44.68	312.35	4.16	-40.52
COC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C(N)=C1F	REAL300020215738	0	42	-1.0	-40.44	330.15	3.44	-37.00
COC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C(N)=C1F	REAL300020215738	1	42	-1.0	-40.43	330.20	3.45	-36.98
COC1=C(F)C=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C(N)=C1F	REAL300020215739	0	42	-1.0	-40.17	339.75	3.63	-36.54
COC1=C(F)C=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C(N)=C1F	REAL300020215739	1	42	-1.0	-40.18	339.81	3.65	-36.53
NC1=CC(Br)=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1N	REAL300020215740	0	40	-1.0	-47.90	324.60	2.26	-45.64
NC1=CC(Br)=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1N	REAL300020215740	1	40	-1.0	-47.90	324.65	2.28	-45.62
NC1=CC(Cl)=C(Cl)C=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215741	0	38	-1.0	-38.08	327.35	5.00	-33.08
NC1=CC(Cl)=C(Cl)C=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215741	1	38	-1.0	-38.08	327.40	5.00	-33.08
NC1=CC(Br)=C(F)C=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215742	0	38	-1.0	-39.11	322.47	4.70	-34.41
NC1=CC(Br)=C(F)C=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215742	1	38	-1.0	-39.11	322.51	4.70	-34.41
COC1=CC(Br)=C(N)C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020215743	0	42	-1.0	-47.26	339.45	3.49	-43.77
COC1=CC(Br)=C(N)C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020215743	1	42	-1.0	-47.28	339.50	3.52	-43.76
NC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=CC(Cl)=C1F	REAL300020215744	0	38	-1.0	-36.38	316.53	4.65	-31.73
NC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=CC(Cl)=C1F	REAL300020215744	1	38	-1.0	-36.45	316.58	4.65	-31.80
COC1=CC(N)=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1Br	REAL300020215745	0	42	-1.0	-42.00	344.70	4.05	-37.95
COC1=CC(N)=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1Br	REAL300020215745	1	42	-1.0	-42.02	344.76	4.05	-37.97
NC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=CC(Br)=C1F	REAL300020215746	0	38	-1.0	-36.43	320.94	4.74	-31.69
NC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=CC(Br)=C1F	REAL300020215746	1	38	-1.0	-36.47	320.99	4.75	-31.72
CC1=C(F)C=CC(N)=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215747	0	41	-1.0	-43.35	319.58	4.03	-39.32
CC1=C(F)C=CC(N)=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215747	1	41	-1.0	-43.37	319.64	4.04	-39.33
COC1=CC(OC)=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C(N)=C1Cl	REAL300020215748	0	46	-1.0	-47.73	372.79	2.37	-45.36
COC1=CC(OC)=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C(N)=C1Cl	REAL300020215748	1	46	-1.0	-47.76	372.86	2.38	-45.38
O=C(CC1=CC=C(O)C=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215749	0	39	-1.0	-57.59	307.74	2.02	-55.57
O=C(CC1=CC=C(O)C=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215749	1	39	-1.0	-57.63	307.80	2.03	-55.60
O=C(C1=CC=C(Br)C(Cl)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215750	0	35	-1.0	-43.82	309.42	5.40	-38.42
O=C(C1=CC=C(Br)C(Cl)=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215750	1	35	-1.0	-43.80	309.37	5.40	-38.40
C[NH+](C)CCSCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215751	0	45	0.0	-66.21	345.56	6.15	-60.06
C[NH+](C)CCSCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215751	1	45	0.0	-66.26	345.61	6.16	-60.10
O=C(CCC1=C(Br)SC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215752	0	39	-1.0	-45.78	333.25	6.83	-38.95
O=C(CCC1=C(Br)SC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215752	1	39	-1.0	-45.72	333.31	6.83	-38.89
CN1C=C(Br)C(=O)C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020215753	0	39	-1.0	-66.31	325.39	5.30	-61.01
CN1C=C(Br)C(=O)C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020215753	1	39	-1.0	-66.31	325.44	5.31	-61.00
CC(C)(C)OC1CC(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C1(C)C	REAL300020215754	0	58	-1.0	-54.46	416.76	7.84	-46.62
CC(C)(C)OC1CC(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C1(C)C	REAL300020215754	1	58	-1.0	-54.53	416.81	7.86	-46.67
O=C(NC1=NC=CN1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215755	0	37	-1.0	-45.07	292.03	3.24	-41.83
O=C(NC1=NC=CN1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215755	1	37	-1.0	-45.06	292.08	3.25	-41.81
O=C(N1CCCCC1CC1=NN=N[N-]1)C12CC(C1)C[N@@H+]2C1CC1	REAL300020215756	0	47	0.0	-52.14	337.10	6.47	-45.67
O=C(N1CCCCC1CC1=NN=N[N-]1)C12CC(C1)C[N@H+]2C1CC1	REAL300020215756	1	47	0.0	-56.89	333.66	6.85	-50.04
O=C(N1CCCCC1CC1=N[N-]N=N1)C12CC(C1)CN2C1CC1	REAL300020215756	1	46	-1.0	-49.53	331.72	5.87	-43.66
O=C(N1CCCCC1CC1=NN=N[N-]1)C12CC(C1)CN2C1CC1	REAL300020215756	1	46	-1.0	-49.57	331.77	5.88	-43.69
O=C(C(F)=CC1=CNC=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215757	0	37	-1.0	-52.55	296.34	4.80	-47.75
O=C(C(F)=CC1=CNC=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215757	1	37	-1.0	-52.59	296.39	4.82	-47.77
O=C(C1=NN=C2C(Br)=CC=CN12)N1CCCCC1CC1=NN=N[N-]1	REAL300020215758	0	38	-1.0	-48.32	319.31	6.83	-41.49
O=C(C1=NN=C2C(Br)=CC=CN12)N1CCCCC1CC1=N[N-]N=N1	REAL300020215758	1	38	-1.0	-48.30	319.26	6.81	-41.49
O=C(C1CC2=CC=CC=C2NC1=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215759	0	44	-1.0	-45.26	335.81	4.60	-40.66
O=C(C1CC2=CC=CC=C2NC1=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215759	1	44	-1.0	-45.25	335.88	4.61	-40.64
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)NC2=CC=C(F)C=C21	REAL300020215760	0	43	-1.0	-46.91	336.22	6.45	-40.46
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)NC2=CC=C(F)C=C21	REAL300020215760	1	43	-1.0	-46.92	336.26	6.46	-40.46
CC(=CC1=CC=C(F)C(F)=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215761	0	43	-1.0	-49.93	338.06	7.50	-42.43
CC(=CC1=CC=C(F)C(F)=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215761	1	43	-1.0	-49.92	338.14	7.50	-42.42
O=C(C=CCOC1=CC=CC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215762	0	44	-1.0	-53.21	345.17	6.60	-46.61
O=C(C=CCOC1=CC=CC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215762	1	44	-1.0	-53.16	345.23	6.61	-46.55
O=C(CC1CC(=O)NC(=O)C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215763	0	42	-1.0	-57.04	325.87	1.74	-55.30
O=C(CC1CC(=O)NC(=O)C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215763	1	42	-1.0	-57.08	325.93	1.76	-55.32
O=C(C1=CC=NC2=NNC=C21)N1CCCCC1CC1=N[N-]N=N1	REAL300020215764	0	38	-1.0	-50.26	296.67	3.26	-47.00
O=C(C1=CC=NC2=NNC=C21)N1CCCCC1CC1=NN=N[N-]1	REAL300020215764	1	38	-1.0	-50.25	296.70	3.28	-46.97
O=C(CC1=CC=CC(F)=C1O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215765	0	40	-1.0	-52.87	322.96	3.45	-49.42
O=C(CC1=CC=CC(F)=C1O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215765	1	40	-1.0	-52.89	323.02	3.48	-49.41
CN1C(=S)NN=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215766	0	36	-1.0	-42.73	293.12	4.63	-38.10
CN1C(=S)NN=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215766	1	36	-1.0	-42.74	293.17	4.63	-38.11
CN1C(=S)[N-]N=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215766	1	35	-2.0	-94.88	290.68	4.45	-90.43
CN1C(=S)[N-]N=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215766	1	35	-2.0	-94.89	290.73	4.46	-90.43
O=C(C1CC2CC(O)CC(C2)C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215767	0	50	-1.0	-54.67	345.85	4.13	-50.54
O=C(C1CC2CC(O)CC(C2)C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215767	1	50	-1.0	-54.72	345.91	4.15	-50.57
O=C(C1=CC2=C(N1)SC(Br)=N2)N1CCCCC1CC1=N[N-]N=N1	REAL300020215768	0	36	-1.0	-46.94	316.96	3.54	-43.40
O=C(C1=CC2=C(N1)SC(Br)=N2)N1CCCCC1CC1=NN=N[N-]1	REAL300020215768	1	36	-1.0	-46.94	317.01	3.55	-43.39
O=C(C1=CC(C2=CC=NC=C2)=NN1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215769	0	42	-1.0	-47.06	333.17	3.95	-43.11
O=C(C1=CC(C2=CC=NC=C2)=NN1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215769	1	42	-1.0	-47.06	333.23	3.96	-43.10
O=C(C1=CC2=CNN=C2S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215770	0	36	-1.0	-55.32	296.67	2.59	-52.73
O=C(C1=CC2=CNN=C2S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215770	1	36	-1.0	-55.32	296.75	2.58	-52.74
CC1=NSC(Br)=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215771	0	35	-1.0	-42.14	313.74	4.06	-38.08
CC1=NSC(Br)=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215771	1	35	-1.0	-42.14	313.80	4.08	-38.06
CC1=CN2CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)CCC2=N1	REAL300020215772	0	46	-1.0	-48.68	342.24	6.20	-42.48
CC1=CN2CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)CCC2=N1	REAL300020215772	1	46	-1.0	-48.71	342.29	6.22	-42.49
O=C(C1=CN2N=C(Cl)N=C2C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215773	0	38	-1.0	-45.85	319.17	5.61	-40.24
O=C(C1=CN2N=C(Cl)N=C2C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215773	1	38	-1.0	-45.88	319.11	5.60	-40.28
COC(=O)C1=CC(OC)=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1Cl	REAL300020215774	0	46	-1.0	-52.68	371.68	5.66	-47.02
COC(=O)C1=CC(OC)=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1Cl	REAL300020215774	1	46	-1.0	-52.73	371.68	5.68	-47.05
NC1=C(Br)C=NC=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215775	0	37	-1.0	-44.91	305.26	2.30	-42.61
NC1=C(Br)C=NC=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215775	1	37	-1.0	-44.87	305.31	2.32	-42.55
O=C(C1=CC(=O)NC2=C1CCC[NH2+]2)N1CCCCC1CC1=N[N-]N=N1	REAL300020215776	0	46	0.0	-64.20	345.62	3.93	-60.27
O=C(C1=CC(=O)NC2=C1CCC[NH2+]2)N1CCCCC1CC1=NN=N[N-]1	REAL300020215776	1	46	0.0	-64.19	345.67	3.95	-60.24
O=C(CCN1CCCC2=CC=CC=C21)N1CCCCC1CC1=N[N-]N=N1	REAL300020215777	0	51	-1.0	-50.49	373.08	6.84	-43.65
O=C(CCN1CCCC2=CC=CC=C21)N1CCCCC1CC1=NN=N[N-]1	REAL300020215777	1	51	-1.0	-50.51	373.14	6.86	-43.65
CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215778	0	53	-1.0	-52.47	405.45	1.17	-51.30
CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215778	1	53	-1.0	-52.44	405.52	1.20	-51.24
COC(=O)C1C(F)(F)C12CC(C(=O)N1CCCCC1CC1=N[N-]N=N1)C2	REAL300020215779	0	46	-1.0	-52.78	370.19	6.47	-46.31
COC(=O)C1C(F)(F)C12CC(C(=O)N1CCCCC1CC1=NN=N[N-]1)C2	REAL300020215779	1	46	-1.0	-52.75	370.24	6.50	-46.25
O=C(C(O)CC1=CC=NC=C1Br)N1CCCCC1CC1=N[N-]N=N1	REAL300020215780	0	42	-1.0	-48.46	336.88	3.22	-45.24
O=C(C(O)CC1=CC=NC=C1Br)N1CCCCC1CC1=NN=N[N-]1	REAL300020215780	1	42	-1.0	-48.50	336.94	3.23	-45.27
CC1=[NH+]C=C2C=CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=CN21	REAL300020215781	0	43	0.0	-62.36	333.95	7.26	-55.10
CC1=NC=C2C=CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=CN21	REAL300020215781	1	42	-1.0	-48.10	328.56	6.68	-41.42
C#CC[C@]1(O)C[C@@H](C(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020215782	0	42	-1.0	-50.09	329.53	2.85	-47.24
C#CC[C@]1(O)C[C@@H](C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020215782	1	42	-1.0	-50.09	329.59	2.87	-47.22
COC(=O)[C@@]1(Cl)C[C@@H]1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215783	0	39	-1.0	-49.08	321.14	5.38	-43.70
COC(=O)[C@@]1(Cl)C[C@@H]1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215783	1	39	-1.0	-49.08	321.19	5.38	-43.70
CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215784	0	53	-1.0	-50.13	400.23	1.21	-48.92
CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215784	1	53	-1.0	-50.16	400.29	1.22	-48.94
CCC(C(=O)N1CCCCC1CC1=N[N-]N=N1)N1C=CN=C1	REAL300020215785	0	42	-1.0	-51.71	320.20	6.26	-45.45
CCC(C(=O)N1CCCCC1CC1=NN=N[N-]1)N1C=CN=C1	REAL300020215785	1	42	-1.0	-51.70	320.26	6.27	-45.43
CC(C)(C)OC(=O)N1CCC12CC(C(=O)N1CCCCC1CC1=N[N-]N=N1)C2	REAL300020215786	0	57	-1.0	-62.80	427.67	6.21	-56.59
CC(C)(C)OC(=O)N1CCC12CC(C(=O)N1CCCCC1CC1=NN=N[N-]1)C2	REAL300020215786	1	57	-1.0	-62.82	427.73	6.23	-56.59
CC(C)(C)OC(=O)N1CCC(C(=O)N2CCCCC2CC2=N[N-]N=N2)O1	REAL300020215787	0	51	-1.0	-54.18	387.26	5.27	-48.91
CC(C)(C)OC(=O)N1CCC(C(=O)N2CCCCC2CC2=NN=N[N-]2)O1	REAL300020215787	1	51	-1.0	-54.22	387.33	5.29	-48.93
CC(C)(C)OC(=O)NCC=C(F)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215788	0	50	-1.0	-44.99	384.23	3.72	-41.27
CC(C)(C)OC(=O)NCC=C(F)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215788	1	50	-1.0	-45.01	384.29	3.73	-41.28
CC(C)(C)OC(=O)N1C[C@@H](CC(=O)N2CCCCC2CC2=N[N-]N=N2)[C@H](O)C1	REAL300020215789	0	57	-1.0	-59.30	428.57	2.82	-56.48
CC(C)(C)OC(=O)N1C[C@@H](CC(=O)N2CCCCC2CC2=NN=N[N-]2)[C@H](O)C1	REAL300020215789	1	57	-1.0	-59.28	428.63	2.84	-56.44
CC(C)(C)OC(=O)N1CCC12CC(C(=O)N1CCCCC1CC1=N[N-]N=N1)C2	REAL300020215790	0	57	-1.0	-62.80	427.67	6.21	-56.59
CC(C)(C)OC(=O)N1CCC12CC(C(=O)N1CCCCC1CC1=NN=N[N-]1)C2	REAL300020215790	1	57	-1.0	-62.82	427.73	6.23	-56.59
O=C([C@H]1C[C@H](N2C=NN=C2)C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215791	0	42	-1.0	-52.68	326.21	7.16	-45.52
O=C([C@H]1C[C@H](N2C=NN=C2)C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215791	1	42	-1.0	-52.69	326.15	7.14	-45.55
CCN1CCOCC1CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215792	0	48	-1.0	-46.76	341.42	3.48	-43.28
CCN1CCOCC1CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215792	1	48	-1.0	-46.80	341.45	3.49	-43.31
CC[N@@H+]1CCOCC1CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215792	1	49	0.0	-54.01	342.06	4.53	-49.48
CC[N@H+]1CCOCC1CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215792	1	49	0.0	-58.83	346.14	4.64	-54.19
CC[N@@H+]1CCOCC1CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215792	1	49	0.0	-54.04	342.11	4.53	-49.51
CC[N@H+]1CCOCC1CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215792	1	49	0.0	-58.76	346.19	4.67	-54.09
COC(CF)(OC)C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020215793	0	50	-1.0	-49.80	378.49	5.77	-44.03
COC(CF)(OC)C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020215793	1	50	-1.0	-49.77	378.49	5.79	-43.98
CCOC(=O)CCC(F)(F)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215794	0	44	-1.0	-48.21	349.99	5.96	-42.25
CCOC(=O)CCC(F)(F)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215794	1	44	-1.0	-48.23	350.04	5.98	-42.25
COC1=CC(OC)=C(N)C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020215795	0	46	-1.0	-50.82	349.27	2.21	-48.61
COC1=CC(OC)=C(N)C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020215795	1	46	-1.0	-50.83	349.34	2.23	-48.60
C[C@H](C(=O)N1CCCCC1CC1=N[N-]N=N1)C1=CC=C2OCOC2=C1	REAL300020215796	0	45	-1.0	-48.64	343.63	5.51	-43.13
C[C@H](C(=O)N1CCCCC1CC1=NN=N[N-]1)C1=CC=C2OCOC2=C1	REAL300020215796	1	45	-1.0	-48.63	343.64	5.53	-43.10
CS(=O)(=O)N1CCC(OCC(=O)N2CCCCC2CC2=N[N-]N=N2)CC1	REAL300020215797	0	51	-1.0	-55.92	399.27	2.39	-53.53
CS(=O)(=O)N1CCC(OCC(=O)N2CCCCC2CC2=NN=N[N-]2)CC1	REAL300020215797	1	51	-1.0	-55.86	399.33	2.41	-53.45
CC1=CN(C2=CC=CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=C2)N=C1	REAL300020215798	0	46	-1.0	-56.38	360.42	7.25	-49.13
CC1=CN(C2=CC=CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=C2)N=C1	REAL300020215798	1	46	-1.0	-56.32	360.38	7.24	-49.08
CC(CC1=CC=C(F)C(F)=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215799	0	45	-1.0	-47.91	349.29	7.65	-40.26
CC(CC1=CC=C(F)C(F)=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215799	1	45	-1.0	-47.78	349.14	7.74	-40.04
N#CC1=CC=CC=C1C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020215800	0	47	-1.0	-52.25	377.98	9.11	-43.14
N#CC1=CC=CC=C1C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020215800	1	47	-1.0	-52.25	378.01	9.12	-43.13
O=C(C1=CC=CC2=CC(F)=CC=C21)N1CCCCC1CC1=N[N-]N=N1	REAL300020215801	0	42	-1.0	-49.66	329.31	7.76	-41.90
O=C(C1=CC=CC2=CC(F)=CC=C21)N1CCCCC1CC1=NN=N[N-]1	REAL300020215801	1	42	-1.0	-49.68	329.40	7.79	-41.89
CN1C(Br)=CN=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215802	0	36	-1.0	-43.75	297.85	5.15	-38.60
CN1C(Br)=CN=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215802	1	36	-1.0	-43.76	297.80	5.15	-38.61
O=C(C1=CN=C2OC=CC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215803	0	38	-1.0	-51.13	304.50	2.82	-48.31
O=C(C1=CN=C2OC=CC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215803	1	38	-1.0	-51.09	304.47	2.80	-48.29
O=C(CCC1=CSC(Br)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215804	0	39	-1.0	-44.85	336.15	6.90	-37.95
O=C(CCC1=CSC(Br)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215804	1	39	-1.0	-44.82	336.20	6.92	-37.90
CCC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C(CC2=CC=CC=C2)N1	REAL300020215805	0	53	-1.0	-51.62	407.73	9.04	-42.58
CCC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C(CC2=CC=CC=C2)N1	REAL300020215805	1	53	-1.0	-51.60	407.79	9.04	-42.56
O=C(C1=CC=NN1C1CC1(F)F)N1CCCCC1CC1=NN=N[N-]1	REAL300020215806	0	40	-1.0	-54.61	320.47	4.28	-50.33
O=C(C1=CC=NN1C1CC1(F)F)N1CCCCC1CC1=N[N-]N=N1	REAL300020215806	1	40	-1.0	-54.53	320.41	4.31	-50.22
CC(C)(C)O[C@H]1C[C@@H](C(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020215807	0	49	-1.0	-54.54	360.03	5.82	-48.72
CC(C)(C)O[C@H]1C[C@@H](C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020215807	1	49	-1.0	-54.54	360.08	5.82	-48.72
CCC(CC(=O)N1CCCCC1CC1=N[N-]N=N1)C1CCC1	REAL300020215808	0	48	-1.0	-46.55	347.47	6.92	-39.63
CCC(CC(=O)N1CCCCC1CC1=NN=N[N-]1)C1CCC1	REAL300020215808	1	48	-1.0	-46.53	347.54	6.93	-39.60
CCOC1=CC=C2NC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=C(C)C2=C1	REAL300020215809	0	50	-1.0	-49.28	381.21	6.60	-42.68
CCOC1=CC=C2NC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=C(C)C2=C1	REAL300020215809	1	50	-1.0	-49.26	381.26	6.60	-42.66
CCC1=CC=C2NC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=C(C)C2=C1	REAL300020215810	0	49	-1.0	-48.59	373.60	7.82	-40.77
CCC1=CC=C2NC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=C(C)C2=C1	REAL300020215810	1	49	-1.0	-48.63	373.63	7.82	-40.81
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)NC2=CC(C)=CC(C)=C21	REAL300020215811	0	49	-1.0	-50.65	371.49	7.12	-43.53
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)NC2=CC(C)=CC(C)=C21	REAL300020215811	1	49	-1.0	-50.63	371.68	7.12	-43.51
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)NC2=CC=C(C(C)C)C=C21	REAL300020215812	0	52	-1.0	-48.30	389.85	8.30	-40.00
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)NC2=CC=C(C(C)C)C=C21	REAL300020215812	1	52	-1.0	-48.27	389.89	8.30	-39.97
COC(=O)C1=C2C=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)SC2=CC=C1	REAL300020215813	0	45	-1.0	-64.62	366.71	7.43	-57.19
COC(=O)C1=C2C=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)SC2=CC=C1	REAL300020215813	1	45	-1.0	-64.64	366.77	7.45	-57.19
COC(=O)C1=NC=CC=C1CCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215814	0	47	-1.0	-51.68	366.59	5.90	-45.78
COC(=O)C1=NC=CC=C1CCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215814	1	47	-1.0	-51.68	366.54	5.89	-45.79
CC(C)(C)OC(=O)NCC1CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020215815	0	56	-1.0	-49.99	420.82	4.69	-45.30
CC(C)(C)OC(=O)NCC1CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020215815	1	56	-1.0	-50.00	420.89	4.70	-45.30
CC1=NC=CC=C1C=CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215816	0	42	-1.0	-50.45	324.67	5.65	-44.80
CC1=NC=CC=C1C=CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215816	1	42	-1.0	-50.48	324.72	5.67	-44.81
CC1=CN=CC=C1C=CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215817	0	42	-1.0	-49.00	324.81	5.68	-43.32
CC1=CN=CC=C1C=CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215817	1	42	-1.0	-49.00	324.87	5.70	-43.30
CNC(=O)C1=CN=CC(C=CC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020215818	0	46	-1.0	-56.72	363.46	3.41	-53.31
CNC(=O)C1=CN=CC(C=CC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020215818	1	46	-1.0	-56.75	363.51	3.41	-53.34
O=C(C=CC1=CC=NC(Cl)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215819	0	39	-1.0	-49.47	323.60	5.61	-43.86
O=C(C=CC1=CC=NC(Cl)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215819	1	39	-1.0	-49.46	323.65	5.61	-43.85
COC1=CC=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1N	REAL300020215820	0	42	-1.0	-41.91	323.26	3.46	-38.45
COC1=CC=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1N	REAL300020215820	1	42	-1.0	-41.90	323.32	3.47	-38.43
COC1=CC=C(C)C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1N	REAL300020215821	0	45	-1.0	-49.26	343.56	3.37	-45.89
COC1=CC=C(C)C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1N	REAL300020215821	1	45	-1.0	-49.25	343.61	3.36	-45.89
O=C(C=CC1=CC=NC2=CC=CC=C12)N1CCCCC1CC1=N[N-]N=N1	REAL300020215822	0	45	-1.0	-51.92	350.45	7.23	-44.69
O=C(C=CC1=CC=NC2=CC=CC=C12)N1CCCCC1CC1=NN=N[N-]1	REAL300020215822	1	45	-1.0	-51.91	350.50	7.24	-44.67
CC(=CC1=CC=C(F)C(F)=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215823	0	43	-1.0	-49.93	338.06	7.50	-42.43
CC(=CC1=CC=C(F)C(F)=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215823	1	43	-1.0	-49.92	338.14	7.50	-42.42
CC(=CC1=CC=CS1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215824	0	40	-1.0	-47.84	309.29	6.42	-41.42
CC(=CC1=CC=CS1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215824	1	40	-1.0	-47.83	309.35	6.42	-41.41
NS(=O)(=O)C1CCC(C(=O)N2CCCCC2CC2=N[N-]N=N2)CC1	REAL300020215825	0	47	-1.0	-62.97	343.69	0.81	-62.16
NS(=O)(=O)C1CCC(C(=O)N2CCCCC2CC2=NN=N[N-]2)CC1	REAL300020215825	1	47	-1.0	-62.98	343.71	0.81	-62.17
O=C(C1=CC(C2=CC=CC=C2F)=NO1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215826	0	42	-1.0	-47.93	338.75	6.72	-41.21
O=C(C1=CC(C2=CC=CC=C2F)=NO1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215826	1	42	-1.0	-47.95	338.70	6.72	-41.23
O=C(C(O)C1=CC=C(F)C(Cl)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215827	0	40	-1.0	-49.71	327.09	4.39	-45.32
O=C(C(O)C1=CC=C(F)C(Cl)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215827	1	40	-1.0	-49.72	327.14	4.41	-45.31
COC1=CSC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1OC	REAL300020215828	0	41	-1.0	-51.90	330.32	3.07	-48.83
COC1=CSC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1OC	REAL300020215828	1	41	-1.0	-51.89	330.40	3.08	-48.81
CSC(C(=O)N1CCCCC1CC1=N[N-]N=N1)C1=CC=CC(Cl)=C1	REAL300020215829	0	43	-1.0	-45.39	346.97	7.56	-37.83
CSC(C(=O)N1CCCCC1CC1=NN=N[N-]1)C1=CC=CC(Cl)=C1	REAL300020215829	1	43	-1.0	-45.44	347.04	7.57	-37.87
O=C(C1CC2CCC(C2)C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215830	0	46	-1.0	-38.70	303.61	5.21	-33.49
O=C(C1CC2CCC(C2)C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215830	1	46	-1.0	-38.68	303.67	5.21	-33.47
CC1=CC2=NC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2C=C1	REAL300020215831	0	44	-1.0	-50.76	344.91	6.53	-44.23
CC1=CC2=NC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2C=C1	REAL300020215831	1	44	-1.0	-50.75	344.95	6.54	-44.21
COC1=C(F)C=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1F	REAL300020215832	0	40	-1.0	-50.20	323.07	4.84	-45.36
COC1=C(F)C=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1F	REAL300020215832	1	40	-1.0	-50.20	323.03	4.84	-45.36
O=C(C1=CC(=O)N(CC(F)(F)F)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215833	0	42	-1.0	-53.99	343.50	5.47	-48.52
O=C(C1=CC(=O)N(CC(F)(F)F)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215833	1	42	-1.0	-54.00	343.53	5.48	-48.52
O=C(C1=CN=CC(C2=COC=C2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215834	0	42	-1.0	-49.22	334.34	5.16	-44.06
O=C(C1=CN=CC(C2=COC=C2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215834	1	42	-1.0	-49.20	334.30	5.17	-44.03
C[C@@H](CC(=O)N1CCCCC1CC1=N[N-]N=N1)C1=CC=CC(OC(F)(F)F)=C1	REAL300020215835	0	49	-1.0	-46.10	382.60	7.56	-38.54
C[C@@H](CC(=O)N1CCCCC1CC1=NN=N[N-]1)C1=CC=CC(OC(F)(F)F)=C1	REAL300020215835	1	49	-1.0	-46.16	382.63	7.57	-38.59
CC1(C)C(C(=O)N2CCCCC2CC2=N[N-]N=N2)CCS1(=O)=O	REAL300020215836	0	45	-1.0	-53.06	332.98	2.49	-50.57
CC1(C)C(C(=O)N2CCCCC2CC2=NN=N[N-]2)CCS1(=O)=O	REAL300020215836	1	45	-1.0	-53.05	333.03	2.50	-50.55
CCCC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)OC=N1	REAL300020215837	0	41	-1.0	-48.20	315.46	2.62	-45.58
CCCC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)OC=N1	REAL300020215837	1	41	-1.0	-48.28	315.51	2.63	-45.65
COC1=CC(F)=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1N	REAL300020215838	0	42	-1.0	-47.56	326.23	2.98	-44.58
COC1=CC(F)=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1N	REAL300020215838	1	42	-1.0	-47.55	326.29	3.00	-44.55
CC1=CC=C(C)C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020215839	0	41	-1.0	-45.29	319.31	4.95	-40.34
CC1=CC=C(C)C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020215839	1	41	-1.0	-45.31	319.36	4.96	-40.35
O=C([C@H]1C[C@H](N2C=CN=N2)C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215840	0	42	-1.0	-51.60	320.10	4.06	-47.54
O=C([C@H]1C[C@H](N2C=CN=N2)C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215840	1	42	-1.0	-51.65	320.04	4.05	-47.60
CCCC1=CC=C(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020215841	0	48	-1.0	-48.48	367.21	8.67	-39.81
CCCC1=CC=C(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020215841	1	48	-1.0	-48.47	367.27	8.68	-39.79
CC(C)N1C=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC1=O	REAL300020215842	0	45	-1.0	-55.15	340.46	5.71	-49.44
CC(C)N1C=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC1=O	REAL300020215842	1	45	-1.0	-55.22	340.49	5.72	-49.50
O=C(CCCCN1C(=O)CCC1=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215843	0	48	-1.0	-55.58	377.70	5.13	-50.45
O=C(CCCCN1C(=O)CCC1=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215843	1	48	-1.0	-55.61	377.77	5.15	-50.46
CC(C(=O)N1CCCCC1CC1=N[N-]N=N1)C(C)C1=CC=C(F)C=C1	REAL300020215844	0	48	-1.0	-47.72	351.06	7.90	-39.82
CC(C(=O)N1CCCCC1CC1=NN=N[N-]1)C(C)C1=CC=C(F)C=C1	REAL300020215844	1	48	-1.0	-47.70	350.97	7.93	-39.77
C=CC1(CC(=O)N2CCCCC2CC2=N[N-]N=N2)CCOCC1	REAL300020215845	0	47	-1.0	-45.72	330.06	5.05	-40.67
C=CC1(CC(=O)N2CCCCC2CC2=NN=N[N-]2)CCOCC1	REAL300020215845	1	47	-1.0	-45.80	330.09	5.06	-40.74
CN1C=CC(N2C=NC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=C2)=N1	REAL300020215846	0	43	-1.0	-60.59	342.83	7.53	-53.06
CN1C=CC(N2C=NC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=C2)=N1	REAL300020215846	1	43	-1.0	-60.56	342.77	7.50	-53.06
CC(=CC1=CC=C(F)C=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215847	0	43	-1.0	-49.80	332.01	7.30	-42.50
CC(=CC1=CC=C(F)C=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215847	1	43	-1.0	-49.81	332.03	7.31	-42.50
CCCCC1=NC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CS1	REAL300020215848	0	44	-1.0	-49.66	349.13	6.23	-43.43
CCCCC1=NC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CS1	REAL300020215848	1	44	-1.0	-49.66	349.18	6.23	-43.43
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CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)NC2=CC(C)=CC=C21	REAL300020215884	0	46	-1.0	-48.59	351.18	7.03	-41.56
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)NC2=CC(C)=CC=C21	REAL300020215884	1	46	-1.0	-48.66	351.23	7.05	-41.61
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)NC2=CC=C([N+](=O)[O-])C=C21	REAL300020215885	0	45	-1.0	-47.17	358.80	7.05	-40.12
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)NC2=CC=C([N+](=O)[O-])C=C21	REAL300020215885	1	45	-1.0	-47.21	358.84	7.05	-40.16
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)NC2=CC(Cl)=CC=C21	REAL300020215886	0	43	-1.0	-46.14	346.54	6.89	-39.25
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)NC2=CC(Cl)=CC=C21	REAL300020215886	1	43	-1.0	-46.11	346.58	6.88	-39.23
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)NC2=CC(F)=CC=C21	REAL300020215887	0	43	-1.0	-46.41	336.22	6.45	-39.96
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)NC2=CC(F)=CC=C21	REAL300020215887	1	43	-1.0	-46.38	336.26	6.46	-39.92
CC1=C2N=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=CN2N=C1	REAL300020215888	0	41	-1.0	-49.31	323.31	5.80	-43.51
CC1=C2N=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=CN2N=C1	REAL300020215888	1	41	-1.0	-49.30	323.25	5.79	-43.51
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CCC(CCC(=O)N1CCCCC1CC1=N[N-]N=N1)NC(=O)OC(C)(C)C	REAL300020215891	0	58	-1.0	-47.19	424.69	5.63	-41.56
CCC(CCC(=O)N1CCCCC1CC1=NN=N[N-]1)NC(=O)OC(C)(C)C	REAL300020215891	1	58	-1.0	-47.18	424.74	5.64	-41.54
O=C(C1=CC=C(C(F)F)C=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215892	0	38	-1.0	-49.41	305.47	5.28	-44.13
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O=C(C1=C2SC=CC2=C(F)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215893	1	39	-1.0	-47.97	320.13	6.78	-41.19
CC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1C1=CC=CC=C1	REAL300020215894	0	49	-1.0	-51.22	376.19	9.47	-41.75
CC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1C1=CC=CC=C1	REAL300020215894	1	49	-1.0	-51.23	376.23	9.46	-41.77
CC(C)(C)OC(=O)NC1(CCC(=O)N2CCCCC2CC2=N[N-]N=N2)CC1	REAL300020215895	0	56	-1.0	-59.10	421.04	5.37	-53.73
CC(C)(C)OC(=O)NC1(CCC(=O)N2CCCCC2CC2=NN=N[N-]2)CC1	REAL300020215895	1	56	-1.0	-59.16	421.09	5.38	-53.78
CC1=CC=C(C2=CC=CC=C2)C=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215896	0	49	-1.0	-44.68	375.71	9.94	-34.74
CC1=CC=C(C2=CC=CC=C2)C=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215896	1	49	-1.0	-44.73	375.76	9.95	-34.78
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COC1=CC(OC)=C(Cl)C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020215898	0	44	-1.0	-52.33	349.93	4.47	-47.86
COC1=CC(OC)=C(Cl)C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020215898	1	44	-1.0	-52.28	349.93	4.48	-47.80
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O=C(C1CCCC2=C1N=CS2)N1CCCCC1CC1=N[N-]N=N1	REAL300020215901	0	42	-1.0	-46.98	325.12	5.64	-41.34
O=C(C1CCCC2=C1N=CS2)N1CCCCC1CC1=NN=N[N-]1	REAL300020215901	1	42	-1.0	-46.99	325.19	5.67	-41.32
CC1(C)CCC(F)(F)CC1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215902	0	48	-1.0	-43.08	336.22	6.76	-36.32
CC1(C)CCC(F)(F)CC1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215902	1	48	-1.0	-43.07	336.27	6.76	-36.31
CC1=CC=CN=C1C=CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215903	0	42	-1.0	-50.32	326.68	5.91	-44.41
CC1=CC=CN=C1C=CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215903	1	42	-1.0	-50.29	326.73	5.92	-44.37
CCC1=CSC=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215904	0	39	-1.0	-48.78	303.39	5.72	-43.06
CCC1=CSC=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215904	1	39	-1.0	-48.82	303.38	5.75	-43.07
O=C(C1=CC=C(CC2=CC=CC=C2)C=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215905	0	48	-1.0	-50.53	375.96	8.88	-41.65
O=C(C1=CC=C(CC2=CC=CC=C2)C=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215905	1	48	-1.0	-50.55	375.91	8.87	-41.68
O=C(C1=CC=CC(C2CC(F)(F)C2(F)F)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215906	0	46	-1.0	-53.40	365.86	8.16	-45.24
O=C(C1=CC=CC(C2CC(F)(F)C2(F)F)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215906	1	46	-1.0	-53.39	365.91	8.16	-45.23
O=C(C1=CN=C(C(F)(F)F)S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215907	0	35	-1.0	-43.63	304.72	3.58	-40.05
O=C(C1=CN=C(C(F)(F)F)S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215907	1	35	-1.0	-43.64	304.67	3.58	-40.06
COC1=CC=C2NN=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C2=C1	REAL300020215908	0	43	-1.0	-58.47	333.84	3.97	-54.50
COC1=CC=C2NN=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C2=C1	REAL300020215908	1	43	-1.0	-58.46	333.89	3.97	-54.49
COC1=CC=C2NC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=C(C)C2=C1	REAL300020215909	0	47	-1.0	-49.47	359.36	5.67	-43.80
COC1=CC=C2NC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=C(C)C2=C1	REAL300020215909	1	47	-1.0	-49.43	359.40	5.68	-43.75
O=C(C(=O)N1CCCCC1CC1=N[N-]N=N1)C1=CSC=C1Br	REAL300020215910	0	35	-1.0	-46.60	308.31	5.18	-41.42
O=C(C(=O)N1CCCCC1CC1=NN=N[N-]1)C1=CSC=C1Br	REAL300020215910	1	35	-1.0	-46.64	308.36	5.20	-41.44
O=C(CC(C1=CC=C(F)C=C1)C(F)F)N1CCCCC1CC1=N[N-]N=N1	REAL300020215911	0	45	-1.0	-45.24	353.48	7.92	-37.32
O=C(CC(C1=CC=C(F)C=C1)C(F)F)N1CCCCC1CC1=NN=N[N-]1	REAL300020215911	1	45	-1.0	-45.26	353.53	7.93	-37.33
O=C(C1CCN(CC(F)(F)F)C(=O)C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215912	0	46	-1.0	-50.83	356.24	5.16	-45.67
O=C(C1CCN(CC(F)(F)F)C(=O)C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215912	1	46	-1.0	-50.87	356.30	5.18	-45.69
O=C(C1=CSC(Br)=C1Cl)N1CCCCC1CC1=N[N-]N=N1	REAL300020215913	0	33	-1.0	-47.38	305.63	5.48	-41.90
O=C(C1=CSC(Br)=C1Cl)N1CCCCC1CC1=NN=N[N-]1	REAL300020215913	1	33	-1.0	-47.39	305.62	5.49	-41.90
CC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=NNC1=O	REAL300020215914	0	38	-1.0	-45.21	299.13	2.04	-43.17
CC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=NNC1=O	REAL300020215914	1	38	-1.0	-45.27	299.21	2.04	-43.23
O=C(C1=C2C=CC=CN2N=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215915	0	38	-1.0	-54.03	299.45	4.36	-49.67
O=C(C1=C2C=CC=CN2N=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215915	1	38	-1.0	-53.98	299.40	4.34	-49.64
CC1CCC(CC(=O)N2CCCCC2CC2=N[N-]N=N2)CC1C	REAL300020215916	0	51	-1.0	-46.51	346.95	7.56	-38.95
CC1CCC(CC(=O)N2CCCCC2CC2=NN=N[N-]2)CC1C	REAL300020215916	1	51	-1.0	-46.53	346.98	7.57	-38.96
O=C(C1=NC=CC2=NC=CC=C21)N1CCCCC1CC1=NN=N[N-]1	REAL300020215917	0	40	-1.0	-46.02	317.82	4.07	-41.95
O=C(C1=NC=CC2=NC=CC=C21)N1CCCCC1CC1=N[N-]N=N1	REAL300020215917	1	40	-1.0	-46.03	317.77	4.06	-41.97
CCN(CCC(=O)N1CCCCC1CC1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL300020215918	0	55	-1.0	-55.87	411.32	6.85	-49.02
CCN(CCC(=O)N1CCCCC1CC1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL300020215918	1	55	-1.0	-55.90	411.37	6.85	-49.05
O=C(N1CCCCC1CC1=NN=N[N-]1)C(F)(F)CCN1C=CN=N1	REAL300020215919	0	41	-1.0	-54.19	328.93	4.00	-50.19
O=C(N1CCCCC1CC1=N[N-]N=N1)C(F)(F)CCN1C=CN=N1	REAL300020215919	1	41	-1.0	-54.21	328.87	3.98	-50.23
CC1=CC(F)=CC=C1C(F)(F)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215920	0	42	-1.0	-45.74	328.72	6.93	-38.81
CC1=CC(F)=CC=C1C(F)(F)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215920	1	42	-1.0	-45.77	328.77	6.94	-38.83
O=C(N1CCCCC1CC1=NN=N[N-]1)C(F)(F)CCN1C=CC=N1	REAL300020215921	0	42	-1.0	-51.11	335.12	5.23	-45.88
O=C(N1CCCCC1CC1=N[N-]N=N1)C(F)(F)CCN1C=CC=N1	REAL300020215921	1	42	-1.0	-51.11	335.07	5.21	-45.90
O=C(CC1CCS(=O)(=O)CC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215922	0	45	-1.0	-52.70	341.75	2.77	-49.93
O=C(CC1CCS(=O)(=O)CC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215922	1	45	-1.0	-52.70	341.80	2.79	-49.91
O=C(C1=CN(CC(F)F)N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215923	0	39	-1.0	-51.48	316.60	3.99	-47.49
O=C(C1=CN(CC(F)F)N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215923	1	39	-1.0	-51.48	316.55	3.98	-47.50
CN1C=NC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C1=O	REAL300020215924	0	38	-1.0	-62.06	297.39	3.96	-58.10
CN1C=NC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C1=O	REAL300020215924	1	38	-1.0	-62.12	297.33	3.94	-58.18
CC1=CC=C(C=CCC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020215925	0	46	-1.0	-52.09	355.72	8.49	-43.60
CC1=CC=C(C=CCC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020215925	1	46	-1.0	-52.11	355.77	8.50	-43.61
O=C(C1=C2CCS(=O)(=O)C2=CN1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215926	0	41	-1.0	-53.77	328.78	1.52	-52.25
O=C(C1=C2CCS(=O)(=O)C2=CN1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215926	1	41	-1.0	-53.71	328.83	1.53	-52.18
O=C(C1CCCN2C=NN=C12)N1CCCCC1CC1=N[N-]N=N1	REAL300020215927	0	42	-1.0	-55.94	311.26	6.44	-49.50
O=C(C1CCCN2C=NN=C12)N1CCCCC1CC1=NN=N[N-]1	REAL300020215927	1	42	-1.0	-55.95	311.32	6.45	-49.50
COC1=CC(F)=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1Br	REAL300020215928	0	40	-1.0	-49.23	333.10	5.36	-43.87
COC1=CC(F)=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1Br	REAL300020215928	1	40	-1.0	-49.20	333.11	5.39	-43.81
CC(C)C1=CC=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1F	REAL300020215929	0	45	-1.0	-53.87	342.32	7.25	-46.62
CC(C)C1=CC=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1F	REAL300020215929	1	45	-1.0	-53.86	342.29	7.26	-46.60
CC(C)C1=CC=C(F)C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020215930	0	45	-1.0	-52.27	343.50	7.29	-44.98
CC(C)C1=CC=C(F)C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020215930	1	45	-1.0	-52.26	343.50	7.32	-44.94
O=C(C1=C(F)C2=CC=CC=C2C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215931	0	42	-1.0	-54.82	328.68	7.59	-47.23
O=C(C1=C(F)C2=CC=CC=C2C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215931	1	42	-1.0	-54.84	328.64	7.60	-47.24
O=C(C1=CC=C(C(F)(F)CF)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215932	0	42	-1.0	-49.66	337.86	7.00	-42.66
O=C(C1=CC=C(C(F)(F)CF)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215932	1	42	-1.0	-49.67	337.86	7.02	-42.65
CC(CC(=O)N1CCCCC1CC1=N[N-]N=N1)C1=CC=C(OC(F)(F)F)C=C1	REAL300020215933	0	49	-1.0	-45.68	383.28	7.59	-38.09
CC(CC(=O)N1CCCCC1CC1=NN=N[N-]1)C1=CC=C(OC(F)(F)F)C=C1	REAL300020215933	1	49	-1.0	-45.71	383.32	7.61	-38.10
COC(=O)C1=CSC2=C1NC(C(=O)N1CCCCC1CC1=N[N-]N=N1)=C2	REAL300020215934	0	43	-1.0	-51.12	359.15	5.49	-45.63
COC(=O)C1=CSC2=C1NC(C(=O)N1CCCCC1CC1=NN=N[N-]1)=C2	REAL300020215934	1	43	-1.0	-51.12	359.26	5.50	-45.62
COC(=O)C1=CC2=C(C=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)N2)S1	REAL300020215935	0	43	-1.0	-47.48	356.74	5.60	-41.88
COC(=O)C1=CC2=C(C=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)N2)S1	REAL300020215935	1	43	-1.0	-47.50	356.79	5.61	-41.89
O=C(N1CCCCC1CC1=NN=N[N-]1)C(F)(F)C1=CN=CC=N1	REAL300020215936	0	37	-1.0	-47.99	299.03	3.53	-44.46
O=C(N1CCCCC1CC1=N[N-]N=N1)C(F)(F)C1=CN=CC=N1	REAL300020215936	1	37	-1.0	-47.96	298.97	3.51	-44.45
CC(C)(C)OC(=O)CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215937	0	44	-1.0	-54.13	329.94	6.01	-48.12
CC(C)(C)OC(=O)CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215937	1	44	-1.0	-54.15	330.00	6.01	-48.14
COC1=CC=C(C#CC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020215938	0	42	-1.0	-46.38	345.26	6.06	-40.32
COC1=CC=C(C#CC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020215938	1	42	-1.0	-46.75	345.32	6.07	-40.68
CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020215939	0	59	-1.0	-51.66	425.70	5.42	-46.24
CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020215939	1	59	-1.0	-51.70	425.76	5.43	-46.27
CC(C)(C)OC(=O)NCCC(F)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215940	0	52	-1.0	-52.74	395.93	3.95	-48.79
CC(C)(C)OC(=O)NCCC(F)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215940	1	52	-1.0	-52.73	395.98	3.97	-48.76
O=C(C1CCC2=C(C1)C(C(F)(F)F)=NN2)N1CCCCC1CC1=N[N-]N=N1	REAL300020215941	0	46	-1.0	-57.15	359.76	5.35	-51.80
O=C(C1CCC2=C(C1)C(C(F)(F)F)=NN2)N1CCCCC1CC1=NN=N[N-]1	REAL300020215941	1	46	-1.0	-57.15	359.80	5.36	-51.79
C[C@H](C1=CC=CC=C1)N1C=CC=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215942	0	50	-1.0	-53.70	374.03	8.94	-44.76
C[C@H](C1=CC=CC=C1)N1C=CC=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215942	1	50	-1.0	-53.69	374.07	8.94	-44.75
C[C@@H](C1=CC=CC=C1)N1C=CC=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215943	0	50	-1.0	-51.61	373.86	8.94	-42.67
C[C@@H](C1=CC=CC=C1)N1C=CC=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215943	1	50	-1.0	-51.59	373.92	8.95	-42.64
COCC(OC1=CC=C(Cl)C=C1C)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215944	0	50	-1.0	-54.49	395.43	6.98	-47.51
COCC(OC1=CC=C(Cl)C=C1C)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215944	1	50	-1.0	-54.47	395.49	6.98	-47.49
O=C(C1=CC2=CN=CN=C2N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215945	0	38	-1.0	-46.67	299.80	4.85	-41.82
O=C(C1=CC2=CN=CN=C2N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215945	1	38	-1.0	-46.62	299.87	4.86	-41.76
CC(C)(C)C(=O)CCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215946	0	46	-1.0	-44.90	345.15	5.97	-38.93
CC(C)(C)C(=O)CCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215946	1	46	-1.0	-44.92	345.21	5.98	-38.94
O=C(C1=CC(C2=CC=C3OCCOC3=C2)=NN1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215947	0	49	-1.0	-50.93	383.02	4.99	-45.94
O=C(C1=CC(C2=CC=C3OCCOC3=C2)=NN1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215947	1	49	-1.0	-50.95	383.10	4.99	-45.96
CC1=NC(C#N)=CC=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215948	0	39	-1.0	-46.14	314.01	4.56	-41.58
CC1=NC(C#N)=CC=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215948	1	39	-1.0	-46.13	314.06	4.57	-41.56
O=C(CC(C1=CC=CC(F)=C1)C(F)F)N1CCCCC1CC1=N[N-]N=N1	REAL300020215949	0	45	-1.0	-48.34	351.65	7.86	-40.48
O=C(CC(C1=CC=CC(F)=C1)C(F)F)N1CCCCC1CC1=NN=N[N-]1	REAL300020215949	1	45	-1.0	-48.36	351.70	7.86	-40.50
CN1C(=O)N(CC(=O)N2CCCCC2CC2=N[N-]N=N2)N=C1C1CC1	REAL300020215950	0	46	-1.0	-58.80	367.64	5.72	-53.08
CN1C(=O)N(CC(=O)N2CCCCC2CC2=NN=N[N-]2)N=C1C1CC1	REAL300020215950	1	46	-1.0	-58.85	367.70	5.72	-53.13
CCN1C(C)=NN(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C1=O	REAL300020215951	0	45	-1.0	-59.38	359.35	5.26	-54.12
CCN1C(C)=NN(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C1=O	REAL300020215951	1	45	-1.0	-59.39	359.41	5.28	-54.11
O=C([C@@H]1[C@H]2C[C@]1(C1=CC=C(Cl)C=C1)CC2)N1CCCCC1CC1=N[N-]N=N1	REAL300020215952	0	50	-1.0	-50.10	383.78	9.62	-40.48
O=C([C@@H]1[C@H]2C[C@]1(C1=CC=C(Cl)C=C1)CC2)N1CCCCC1CC1=NN=N[N-]1	REAL300020215952	1	50	-1.0	-50.07	383.84	9.63	-40.44
CC1=CC(Cl)=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1Br	REAL300020215953	0	39	-1.0	-47.62	330.89	6.98	-40.64
CC1=CC(Cl)=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1Br	REAL300020215953	1	39	-1.0	-47.63	330.92	6.98	-40.65
O=C(C1=CC(C2CC2)=CC=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215954	0	42	-1.0	-51.14	322.53	6.54	-44.60
O=C(C1=CC(C2CC2)=CC=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215954	1	42	-1.0	-51.14	322.58	6.54	-44.60
NS(=O)(=O)C1=CSC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020215955	0	38	-1.0	-55.55	326.05	-0.72	-56.27
NS(=O)(=O)C1=CSC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020215955	1	38	-1.0	-55.58	326.11	-0.74	-56.32
CC(C)(C)C1=NC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)O1	REAL300020215956	0	44	-1.0	-50.39	338.14	2.77	-47.62
CC(C)(C)C1=NC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)O1	REAL300020215956	1	44	-1.0	-50.36	338.11	2.77	-47.59
O=C(C1=CC2=CC=CC=C2C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215957	0	41	-1.0	-52.21	313.10	7.18	-45.03
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O=C(C1=CN=C2C(=C1)C=CNC2=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215958	0	41	-1.0	-56.85	326.90	2.75	-54.10
O=C(C1=CN=C2C(=C1)C=CNC2=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215958	1	41	-1.0	-56.81	326.94	2.76	-54.05
O=C(CCCN1CC2=CC=CC=C2C1=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215959	0	50	-1.0	-59.34	394.30	7.08	-52.26
O=C(CCCN1CC2=CC=CC=C2C1=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215959	1	50	-1.0	-59.29	394.37	7.10	-52.19
CC(=O)C1=CC(Cl)=CC=C1OC(C)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215960	0	48	-1.0	-60.23	385.26	8.06	-52.17
CC(=O)C1=CC(Cl)=CC=C1OC(C)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215960	1	48	-1.0	-60.23	385.30	8.07	-52.16
CO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215961	0	56	-1.0	-44.99	407.78	2.98	-42.01
CO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215961	1	56	-1.0	-44.97	407.83	3.00	-41.97
CC(C(=O)N1CCCCC1CC1=N[N-]N=N1)C1CCN(C(=O)OC(C)(C)C)C1	REAL300020215962	0	59	-1.0	-49.21	430.12	6.90	-42.31
CC(C(=O)N1CCCCC1CC1=NN=N[N-]1)C1CCN(C(=O)OC(C)(C)C)C1	REAL300020215962	1	59	-1.0	-49.17	430.18	6.91	-42.26
CCC(C)C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C(=O)N1	REAL300020215963	0	48	-1.0	-61.12	361.63	4.97	-56.15
CCC(C)C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C(=O)N1	REAL300020215963	1	48	-1.0	-61.11	361.69	4.97	-56.14
CC1=CC(C(C)(C)C)=CC=C1OC(C)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215964	0	58	-1.0	-54.16	421.86	9.53	-44.63
CC1=CC(C(C)(C)C)=CC=C1OC(C)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215964	1	58	-1.0	-54.14	421.92	9.54	-44.60
CC1=CC(Cl)=CC=C1O[C@@H](C)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215965	0	46	-1.0	-51.77	363.07	7.68	-44.09
CC1=CC(Cl)=CC=C1O[C@@H](C)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215965	1	46	-1.0	-51.82	363.12	7.69	-44.13
CC1=CC=C(OC(C)C(=O)N2CCCCC2CC2=N[N-]N=N2)C(C)=C1	REAL300020215966	0	49	-1.0	-54.50	367.10	7.88	-46.62
CC1=CC=C(OC(C)C(=O)N2CCCCC2CC2=NN=N[N-]2)C(C)=C1	REAL300020215966	1	49	-1.0	-54.49	367.16	7.88	-46.61
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O=C(C1=CC=CC2=CC(Cl)=CC=C21)N1CCCCC1CC1=N[N-]N=N1	REAL300020215968	0	42	-1.0	-49.74	339.63	8.19	-41.55
O=C(C1=CC=CC2=CC(Cl)=CC=C21)N1CCCCC1CC1=NN=N[N-]1	REAL300020215968	1	42	-1.0	-49.73	339.71	8.22	-41.51
O=C(C1=CN=CC(C2=CC=C(F)C=C2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215969	0	45	-1.0	-48.14	355.95	7.02	-41.12
O=C(C1=CN=CC(C2=CC=C(F)C=C2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215969	1	45	-1.0	-48.11	355.93	7.03	-41.08
O=C(C1=C(Cl)SC2=C1SN=N2)N1CCCCC1CC1=NN=N[N-]1	REAL300020215970	0	34	-1.0	-44.45	314.94	4.04	-40.41
O=C(C1=C(Cl)SC2=C1SN=N2)N1CCCCC1CC1=N[N-]N=N1	REAL300020215970	1	34	-1.0	-44.44	314.89	4.03	-40.41
COC(=O)C1=COC2=C1NC(C(=O)N1CCCCC1CC1=N[N-]N=N1)=C2	REAL300020215971	0	43	-1.0	-52.61	347.86	4.60	-48.01
COC(=O)C1=COC2=C1NC(C(=O)N1CCCCC1CC1=NN=N[N-]1)=C2	REAL300020215971	1	43	-1.0	-52.62	347.94	4.60	-48.02
COC(=O)C1=CC(C)=C2C=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)NC2=C1	REAL300020215972	0	49	-1.0	-49.71	389.47	6.91	-42.80
COC(=O)C1=CC(C)=C2C=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)NC2=C1	REAL300020215972	1	49	-1.0	-49.70	389.58	6.93	-42.77
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)N=C(C2=NNC=N2)S1	REAL300020215973	0	41	-1.0	-53.24	336.35	5.00	-48.24
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)N=C(C2=NNC=N2)S1	REAL300020215973	1	41	-1.0	-53.29	336.40	5.02	-48.27
O=C(C1=CC(CC2=CC=CC=C2)=CN1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215974	0	47	-1.0	-56.45	368.22	8.15	-48.30
O=C(C1=CC(CC2=CC=CC=C2)=CN1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215974	1	47	-1.0	-56.43	368.29	8.15	-48.28
COC(=O)C1=CC=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1C	REAL300020215975	0	45	-1.0	-42.19	350.43	7.04	-35.15
COC(=O)C1=CC=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1C	REAL300020215975	1	45	-1.0	-42.19	350.49	7.05	-35.14
C=CCCC(CC(C)C)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215976	0	51	-1.0	-46.71	367.02	7.95	-38.76
C=CCCC(CC(C)C)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215976	1	51	-1.0	-46.74	367.07	8.00	-38.74
C=CCC(CC(C)C)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020215977	0	48	-1.0	-45.83	343.89	7.03	-38.80
C=CCC(CC(C)C)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020215977	1	48	-1.0	-45.81	343.96	7.03	-38.78
O=C(C1=CC=C2NC(C3=CC=CC=C3)=NC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215978	0	49	-1.0	-54.37	387.60	8.11	-46.26
O=C(C1=CC=C2NC(C3=CC=CC=C3)=NC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215978	1	49	-1.0	-54.38	387.64	8.12	-46.26
CC(C)(C)C1CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=NO1	REAL300020215979	0	46	-1.0	-44.39	340.30	5.08	-39.31
CC(C)(C)C1CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=NO1	REAL300020215979	1	46	-1.0	-44.39	340.36	5.08	-39.31
O=C(C1=CC=C(C2=CSC=C2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215980	0	43	-1.0	-49.05	345.12	7.82	-41.23
O=C(C1=CC=C(C2=CSC=C2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215980	1	43	-1.0	-49.09	345.15	7.83	-41.26
O=C(C1=CC=C2CCOC(=O)C2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215981	0	43	-1.0	-55.98	338.03	6.49	-49.49
O=C(C1=CC=C2CCOC(=O)C2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215981	1	43	-1.0	-56.01	338.07	6.50	-49.51
O=C(C1CC2=CC(Br)=CN=C2C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215982	0	42	-1.0	-48.12	337.90	6.17	-41.95
O=C(C1CC2=CC(Br)=CN=C2C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215982	1	42	-1.0	-48.15	337.96	6.17	-41.98
CC1=C2C=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)N=CC2=NN1	REAL300020215983	0	41	-1.0	-53.27	322.18	3.70	-49.57
CC1=C2C=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)N=CC2=NN1	REAL300020215983	1	41	-1.0	-53.26	322.24	3.71	-49.55
O=C(C1=CN(CC(F)(F)F)C=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215984	0	39	-1.0	-55.68	321.90	6.83	-48.85
O=C(C1=CN(CC(F)(F)F)C=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215984	1	39	-1.0	-55.67	321.85	6.82	-48.85
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CNC(=O)N1CCC(C(=O)N2CCCCC2CC2=N[N-]N=N2)CC1	REAL300020215986	0	48	-1.0	-58.65	351.30	3.48	-55.17
CNC(=O)N1CCC(C(=O)N2CCCCC2CC2=NN=N[N-]2)CC1	REAL300020215986	1	48	-1.0	-58.70	351.35	3.49	-55.21
O=C(C1=CN=CC2=C(Cl)C=CC=C12)N1CCCCC1CC1=NN=N[N-]1	REAL300020215987	0	41	-1.0	-45.83	324.99	6.07	-39.76
O=C(C1=CN=CC2=C(Cl)C=CC=C12)N1CCCCC1CC1=N[N-]N=N1	REAL300020215987	1	41	-1.0	-45.88	324.96	6.05	-39.83
CC1=CC2=CC=CN=C2C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020215988	0	44	-1.0	-61.45	337.70	6.56	-54.89
CC1=CC2=CC=CN=C2C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020215988	1	44	-1.0	-61.37	337.67	6.55	-54.82
O=C(C1=CN=C2N=CC=CN12)N1CCCCC1CC1=NN=N[N-]1	REAL300020215989	0	38	-1.0	-53.14	297.98	6.08	-47.06
O=C(C1=CN=C2N=CC=CN12)N1CCCCC1CC1=N[N-]N=N1	REAL300020215989	1	38	-1.0	-53.11	297.96	6.07	-47.04
O=C(CC1=CC(Br)=CS1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215990	0	36	-1.0	-47.09	314.82	6.18	-40.91
O=C(CC1=CC(Br)=CS1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215990	1	36	-1.0	-47.09	314.87	6.19	-40.90
O=C(C=CC1=CC=C(C2=CC=CC=C2)S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215991	0	47	-1.0	-49.82	380.17	9.68	-40.14
O=C(C=CC1=CC=C(C2=CC=CC=C2)S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215991	1	47	-1.0	-49.83	380.22	9.69	-40.14
COC1(C2=CC=CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=C2)COC1	REAL300020215992	0	48	-1.0	-52.38	360.54	4.68	-47.70
COC1(C2=CC=CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=C2)COC1	REAL300020215992	1	48	-1.0	-52.37	360.57	4.70	-47.67
COCCN1C=CC2=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=CC=C21	REAL300020215993	0	50	-1.0	-53.83	386.86	7.06	-46.77
COCCN1C=CC2=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=CC=C21	REAL300020215993	1	50	-1.0	-53.80	386.84	7.07	-46.73
CC(C)N1C=CC2=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=CC=C21	REAL300020215994	0	49	-1.0	-54.76	371.27	8.47	-46.29
CC(C)N1C=CC2=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=CC=C21	REAL300020215994	1	49	-1.0	-54.80	371.25	8.49	-46.31
C[C@@H](C(=O)N1CCCCC1CC1=N[N-]N=N1)C1=CC=C(F)C=C1	REAL300020215995	0	42	-1.0	-46.94	320.95	6.86	-40.08
C[C@@H](C(=O)N1CCCCC1CC1=NN=N[N-]1)C1=CC=C(F)C=C1	REAL300020215995	1	42	-1.0	-46.61	320.87	6.93	-39.68
CCC(CC(=O)N1CCCCC1CC1=N[N-]N=N1)CC(F)(F)F	REAL300020215996	0	44	-1.0	-48.22	324.62	6.36	-41.86
CCC(CC(=O)N1CCCCC1CC1=NN=N[N-]1)CC(F)(F)F	REAL300020215996	1	44	-1.0	-48.22	324.65	6.37	-41.85
O=C(C1=CC=NN1CC1CC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215997	0	43	-1.0	-42.37	332.96	5.80	-36.57
O=C(C1=CC=NN1CC1CC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215997	1	43	-1.0	-42.40	332.95	5.79	-36.61
O=C(C1CCC(F)(F)CO1)N1CCCCC1CC1=N[N-]N=N1	REAL300020215998	0	40	-1.0	-52.89	309.92	4.26	-48.63
O=C(C1CCC(F)(F)CO1)N1CCCCC1CC1=NN=N[N-]1	REAL300020215998	1	40	-1.0	-52.88	309.99	4.27	-48.61
C[C@@H]1C[C@H](C(=O)N2CCCCC2CC2=N[N-]N=N2)C[C@H](C)O1	REAL300020215999	0	46	-1.0	-49.36	334.59	4.96	-44.40
C[C@@H]1C[C@H](C(=O)N2CCCCC2CC2=NN=N[N-]2)C[C@H](C)O1	REAL300020215999	1	46	-1.0	-49.42	334.65	4.98	-44.44
O=C(C1=CC(C2=CC=C(F)C=C2)=NS1)N1CCCCC1CC1=NN=N[N-]1	REAL300020216000	0	42	-1.0	-45.97	346.59	6.58	-39.39
O=C(C1=CC(C2=CC=C(F)C=C2)=NS1)N1CCCCC1CC1=N[N-]N=N1	REAL300020216000	1	42	-1.0	-45.99	346.53	6.57	-39.42
O=C(C1=CC(C2=CC=C(Cl)C=C2)=NS1)N1CCCCC1CC1=NN=N[N-]1	REAL300020216001	0	42	-1.0	-45.83	356.90	7.03	-38.80
O=C(C1=CC(C2=CC=C(Cl)C=C2)=NS1)N1CCCCC1CC1=N[N-]N=N1	REAL300020216001	1	42	-1.0	-45.82	356.85	7.01	-38.81
O=C(C1=CC(C2=CC=CC(Cl)=C2)=NS1)N1CCCCC1CC1=NN=N[N-]1	REAL300020216002	0	42	-1.0	-49.48	357.67	7.28	-42.20
O=C(C1=CC(C2=CC=CC(Cl)=C2)=NS1)N1CCCCC1CC1=N[N-]N=N1	REAL300020216002	1	42	-1.0	-49.47	357.62	7.26	-42.21
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)NC2=CC(F)=CC(F)=C21	REAL300020216003	0	43	-1.0	-45.79	341.37	6.46	-39.33
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)NC2=CC(F)=CC(F)=C21	REAL300020216003	1	43	-1.0	-45.75	341.39	6.47	-39.28
CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](C(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020216004	0	59	-1.0	-50.93	425.49	5.59	-45.34
CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020216004	1	59	-1.0	-50.91	425.55	5.59	-45.32
O=C(C1=CC=C(Cl)C(F)=C1F)N1CCCCC1CC1=N[N-]N=N1	REAL300020216005	0	36	-1.0	-49.54	306.03	5.92	-43.62
O=C(C1=CC=C(Cl)C(F)=C1F)N1CCCCC1CC1=NN=N[N-]1	REAL300020216005	1	36	-1.0	-49.60	305.99	5.94	-43.66
COC(=O)CC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020216006	0	45	-1.0	-56.58	355.10	6.77	-49.81
COC(=O)CC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020216006	1	45	-1.0	-56.54	355.10	6.78	-49.76
NC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C(F)C(F)=C1F	REAL300020216007	0	38	-1.0	-42.84	309.42	3.71	-39.13
NC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C(F)C(F)=C1F	REAL300020216007	1	38	-1.0	-42.87	309.48	3.72	-39.15
CC(C)(C)OC(=O)N1CCC[C@H](CC(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020216008	0	59	-1.0	-59.88	422.40	7.49	-52.39
CC(C)(C)OC(=O)N1CCC[C@H](CC(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020216008	1	59	-1.0	-59.88	422.43	7.49	-52.39
CC(C)(C)OC(=O)N1CCC1(C)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020216009	0	53	-1.0	-56.29	378.27	5.12	-51.17
CC(C)(C)OC(=O)N1CCC1(C)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020216009	1	53	-1.0	-56.26	378.30	5.12	-51.14
CC(C)(C)CC(NC(=O)OC(C)(C)C)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020216010	0	61	-1.0	-43.58	412.00	7.06	-36.52
CC(C)(C)CC(NC(=O)OC(C)(C)C)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020216010	1	61	-1.0	-43.53	412.03	7.07	-36.46
CC(C)(C)OC(=O)NCC1=NC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CO1	REAL300020216011	0	52	-1.0	-47.86	402.87	1.85	-46.01
CC(C)(C)OC(=O)NCC1=NC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CO1	REAL300020216011	1	52	-1.0	-47.86	402.92	1.86	-46.00
CN(C)C1=CC=C(Br)C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020216012	0	44	-1.0	-52.32	340.80	6.31	-46.01
CN(C)C1=CC=C(Br)C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020216012	1	44	-1.0	-52.34	340.83	6.33	-46.01
O=C(C1=CC=C2C(=C1)CCCS2(=O)=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020216013	0	46	-1.0	-60.10	363.42	4.08	-56.02
O=C(C1=CC=C2C(=C1)CCCS2(=O)=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020216013	1	46	-1.0	-60.05	363.46	4.10	-55.95
O=C(C1=NN2CC(F)CC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020216014	0	40	-1.0	-58.39	311.76	4.70	-53.69
O=C(C1=NN2CC(F)CC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020216014	1	40	-1.0	-58.44	311.81	4.71	-53.73
O=C(C1=CC2=C(N1)C(Br)=CO2)N1CCCCC1CC1=N[N-]N=N1	REAL300020216015	0	37	-1.0	-49.49	314.86	4.46	-45.03
O=C(C1=CC2=C(N1)C(Br)=CO2)N1CCCCC1CC1=NN=N[N-]1	REAL300020216015	1	37	-1.0	-49.46	314.96	4.48	-44.98
CC1=CC2=C(C=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)N2)O1	REAL300020216016	0	40	-1.0	-53.38	314.14	4.71	-48.67
CC1=CC2=C(C=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)N2)O1	REAL300020216016	1	40	-1.0	-53.41	314.24	4.71	-48.70
CC(C)C1=CNC2=CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=NC2=C1	REAL300020216017	0	48	-1.0	-66.03	365.62	6.27	-59.76
CC(C)C1=CNC2=CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=NC2=C1	REAL300020216017	1	48	-1.0	-65.99	365.67	6.27	-59.72
O=C(C1=NC2=CC(Br)=CNC2=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020216018	0	38	-1.0	-67.43	321.34	4.90	-62.53
O=C(C1=NC2=CC(Br)=CNC2=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020216018	1	38	-1.0	-67.41	321.39	4.90	-62.51
CCOCCC(NC(=O)OC(C)(C)C)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020216019	0	59	-1.0	-46.87	435.03	3.75	-43.12
CCOCCC(NC(=O)OC(C)(C)C)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020216019	1	59	-1.0	-46.83	435.10	3.75	-43.08
O=C([C@@H]1C[C@H]1C1=CC=CC=C1Br)N1CCCCC1CC1=N[N-]N=N1	REAL300020216020	0	43	-1.0	-50.64	352.80	7.99	-42.65
O=C([C@@H]1C[C@H]1C1=CC=CC=C1Br)N1CCCCC1CC1=NN=N[N-]1	REAL300020216020	1	43	-1.0	-50.66	352.86	8.01	-42.65
C=CCN(CCC(=O)N1CCCCC1CC1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL300020216021	0	56	-1.0	-55.68	424.13	7.40	-48.28
C=CCN(CCC(=O)N1CCCCC1CC1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL300020216021	1	56	-1.0	-55.78	424.18	7.41	-48.37
CC(C)CC(ONC(=O)OC(C)(C)C)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020216022	0	59	-1.0	-60.44	429.89	7.00	-53.44
CC(C)CC(ONC(=O)OC(C)(C)C)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020216022	1	59	-1.0	-60.39	429.89	7.03	-53.36
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=CC2=CC=CC=C21	REAL300020216023	0	45	-1.0	-43.72	343.60	8.72	-35.00
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=CC2=CC=CC=C21	REAL300020216023	1	45	-1.0	-43.74	343.64	8.73	-35.01
COC1=CC=CC(CCC(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020216024	0	45	-1.0	-46.99	355.73	3.63	-43.36
COC1=CC=CC(CCC(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020216024	1	45	-1.0	-46.97	355.79	3.65	-43.32
CN1N=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C2=C1CCOC2	REAL300020216025	0	44	-1.0	-54.95	333.18	3.73	-51.22
CN1N=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C2=C1CCOC2	REAL300020216025	1	44	-1.0	-55.03	333.24	3.74	-51.29
CC1=CC=CC([C@@H](C)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020216026	0	45	-1.0	-47.76	336.39	7.56	-40.20
CC1=CC=CC([C@@H](C)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020216026	1	45	-1.0	-47.77	336.45	7.58	-40.19
COC1=CC(C)=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020216027	0	42	-1.0	-47.15	325.23	2.73	-44.42
COC1=CC(C)=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020216027	1	42	-1.0	-47.17	325.29	2.75	-44.42
CN1C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC2=C1C=CS2	REAL300020216028	0	40	-1.0	-48.39	317.21	5.98	-42.41
CN1C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC2=C1C=CS2	REAL300020216028	1	40	-1.0	-48.40	317.26	5.99	-42.41
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=NN1CC(F)F	REAL300020216029	0	42	-1.0	-50.29	333.89	4.74	-45.55
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=NN1CC(F)F	REAL300020216029	1	42	-1.0	-50.25	333.92	4.74	-45.51
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=NN1C1CCC1	REAL300020216030	0	46	-1.0	-49.94	345.65	5.89	-44.05
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=NN1C1CCC1	REAL300020216030	1	46	-1.0	-49.95	345.69	5.90	-44.05
O=C(C1=C2CCCCC2=CN1)N1CCCCC1CC1=N[N-]N=N1	REAL300020216031	0	44	-1.0	-50.62	327.00	6.13	-44.49
O=C(C1=C2CCCCC2=CN1)N1CCCCC1CC1=NN=N[N-]1	REAL300020216031	1	44	-1.0	-50.59	327.07	6.12	-44.47
COCCOCC=CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020216032	0	44	-1.0	-54.85	344.44	3.28	-51.57
COCCOCC=CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020216032	1	44	-1.0	-54.84	344.49	3.30	-51.54
CC(C)(C)OC(=O)NC[C@@H]1C[C@H](C(=O)N2CCCCC2CC2=N[N-]N=N2)CO1	REAL300020216033	0	57	-1.0	-55.59	419.59	3.18	-52.41
CC(C)(C)OC(=O)NC[C@@H]1C[C@H](C(=O)N2CCCCC2CC2=NN=N[N-]2)CO1	REAL300020216033	1	57	-1.0	-55.58	419.63	3.19	-52.39
COC1(C(=O)N2CCCCC2CC2=N[N-]N=N2)CN(C(=O)OC(C)(C)C)C1	REAL300020216034	0	54	-1.0	-50.51	404.91	4.20	-46.31
COC1(C(=O)N2CCCCC2CC2=NN=N[N-]2)CN(C(=O)OC(C)(C)C)C1	REAL300020216034	1	54	-1.0	-50.49	404.96	4.21	-46.28
CC1=C(CC(=O)N2CCCCC2CC2=N[N-]N=N2)SC=C1	REAL300020216035	0	39	-1.0	-47.50	317.09	5.74	-41.76
CC1=C(CC(=O)N2CCCCC2CC2=NN=N[N-]2)SC=C1	REAL300020216035	1	39	-1.0	-47.49	317.15	5.74	-41.75
CCC(C(=O)N1CCCCC1CC1=NN=N[N-]1)N1C=NC=N1	REAL300020216036	0	41	-1.0	-47.48	300.96	5.76	-41.72
CCC(C(=O)N1CCCCC1CC1=N[N-]N=N1)N1C=NC=N1	REAL300020216036	1	41	-1.0	-47.45	300.91	5.76	-41.69
CC1=NN(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C(C)=C1C	REAL300020216037	0	45	-1.0	-53.74	348.42	5.15	-48.59
CC1=NN(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C(C)=C1C	REAL300020216037	1	45	-1.0	-53.73	348.49	5.17	-48.56
CC(=O)C1=NC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CS1	REAL300020216038	0	37	-1.0	-52.02	307.43	3.76	-48.26
CC(=O)C1=NC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CS1	REAL300020216038	1	37	-1.0	-51.99	307.48	3.78	-48.21
COC1=NN(C)C(Br)=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020216039	0	40	-1.0	-47.91	343.78	1.46	-46.45
COC1=NN(C)C(Br)=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020216039	1	40	-1.0	-47.87	343.72	1.44	-46.43
CC(=O)NC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C(F)=C1	REAL300020216040	0	43	-1.0	-59.63	341.79	4.37	-55.26
CC(=O)NC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C(F)=C1	REAL300020216040	1	43	-1.0	-59.66	341.82	4.37	-55.29
O=C(CC1=CC(C(F)(F)F)=CO1)N1CCCCC1CC1=N[N-]N=N1	REAL300020216041	0	39	-1.0	-50.38	329.50	5.29	-45.09
O=C(CC1=CC(C(F)(F)F)=CO1)N1CCCCC1CC1=NN=N[N-]1	REAL300020216041	1	39	-1.0	-50.37	329.56	5.31	-45.06
CS(=O)(=O)C1(C2=CC=CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=C2)CC1	REAL300020216042	0	49	-1.0	-61.76	392.89	4.91	-56.85
CS(=O)(=O)C1(C2=CC=CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=C2)CC1	REAL300020216042	1	49	-1.0	-61.74	392.74	4.91	-56.83
CC1=C2C=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)SC2=C(C)S1	REAL300020216043	0	42	-1.0	-51.62	349.89	7.44	-44.18
CC1=C2C=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)SC2=C(C)S1	REAL300020216043	1	42	-1.0	-51.65	349.88	7.46	-44.19
O=C(C1=CN2N=CC=C2C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020216044	0	39	-1.0	-49.53	307.26	5.17	-44.36
O=C(C1=CN2N=CC=C2C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020216044	1	39	-1.0	-49.48	307.22	5.16	-44.32
O=C(C1CCCC2=NN=CN21)N1CCCCC1CC1=N[N-]N=N1	REAL300020216045	0	42	-1.0	-48.00	310.53	5.74	-42.26
O=C(C1CCCC2=NN=CN21)N1CCCCC1CC1=NN=N[N-]1	REAL300020216045	1	42	-1.0	-47.99	310.57	5.75	-42.24
CC1(C)CCCC(CC(=O)N2CCCCC2CC2=N[N-]N=N2)O1	REAL300020216046	0	49	-1.0	-50.96	352.19	6.33	-44.63
CC1(C)CCCC(CC(=O)N2CCCCC2CC2=NN=N[N-]2)O1	REAL300020216046	1	49	-1.0	-50.93	352.24	6.35	-44.58
COC(C(=O)N1CCCCC1CC1=NN=N[N-]1)C1=CC=CN=C1	REAL300020216047	0	42	-1.0	-52.02	323.37	4.24	-47.78
COC(C(=O)N1CCCCC1CC1=N[N-]N=N1)C1=CC=CN=C1	REAL300020216047	1	42	-1.0	-52.02	323.35	4.22	-47.80
CCN1C(=O)CCC1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020216048	0	43	-1.0	-53.83	323.05	4.58	-49.25
CCN1C(=O)CCC1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020216048	1	43	-1.0	-53.83	323.08	4.58	-49.25
O=C(C1=C2SC(Cl)=C(Cl)C2=CC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020216049	0	39	-1.0	-51.40	342.85	7.70	-43.70
O=C(C1=C2SC(Cl)=C(Cl)C2=CC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020216049	1	39	-1.0	-51.35	342.90	7.70	-43.65
C[C@]12CCCN1S(=O)(=O)[C@H](C(=O)N1CCCCC1CC1=N[N-]N=N1)C2	REAL300020216050	0	48	-1.0	-45.53	345.91	2.12	-43.41
C[C@]12CCCN1S(=O)(=O)[C@H](C(=O)N1CCCCC1CC1=NN=N[N-]1)C2	REAL300020216050	1	48	-1.0	-45.53	345.96	2.12	-43.41
O=C(CN1C=CC2=CC(F)=CC=C21)N1CCCCC1CC1=N[N-]N=N1	REAL300020216051	0	43	-1.0	-52.13	347.59	7.56	-44.57
O=C(CN1C=CC2=CC(F)=CC=C21)N1CCCCC1CC1=NN=N[N-]1	REAL300020216051	1	43	-1.0	-52.14	347.65	7.59	-44.55
CC1(C)CC(=O)C2=C(C1)OC(=O)C(C(=O)N1CCCCC1CC1=N[N-]N=N1)=C2	REAL300020216052	0	50	-1.0	-59.44	374.73	6.90	-52.54
CC1(C)CC(=O)C2=C(C1)OC(=O)C(C(=O)N1CCCCC1CC1=NN=N[N-]1)=C2	REAL300020216052	1	50	-1.0	-59.45	374.79	6.93	-52.52
O=C(C1=CC2=C(CCCC2=O)OC1=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020216053	0	44	-1.0	-62.25	342.91	6.18	-56.07
O=C(C1=CC2=C(CCCC2=O)OC1=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020216053	1	44	-1.0	-62.27	342.95	6.20	-56.07
COC1=CC2=NC=CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=C2C=C1	REAL300020216054	0	45	-1.0	-49.24	346.92	5.13	-44.11
COC1=CC2=NC=CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=C2C=C1	REAL300020216054	1	45	-1.0	-49.28	346.86	5.11	-44.17
O=C(C1=CC=NC2=C1CCC2)N1CCCCC1CC1=N[N-]N=N1	REAL300020216055	0	42	-1.0	-48.63	318.79	5.48	-43.15
O=C(C1=CC=NC2=C1CCC2)N1CCCCC1CC1=NN=N[N-]1	REAL300020216055	1	42	-1.0	-48.63	318.82	5.48	-43.15
CCSC1CCC(C(=O)N2CCCCC2CC2=N[N-]N=N2)CC1	REAL300020216056	0	49	-1.0	-48.38	366.01	7.77	-40.61
CCSC1CCC(C(=O)N2CCCCC2CC2=NN=N[N-]2)CC1	REAL300020216056	1	49	-1.0	-48.39	366.06	7.79	-40.60
CC1=CC(CCC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC(C)=N1	REAL300020216057	0	47	-1.0	-47.90	362.60	6.70	-41.20
CC1=CC(CCC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC(C)=N1	REAL300020216057	1	47	-1.0	-47.92	362.65	6.71	-41.21
CC1=CC2=CC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2C=C1	REAL300020216058	0	45	-1.0	-50.09	347.67	8.31	-41.78
CC1=CC2=CC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2C=C1	REAL300020216058	1	45	-1.0	-50.13	347.69	8.31	-41.82
O=C(CCC1=CC=CC(=O)N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020216059	0	42	-1.0	-47.87	328.87	4.05	-43.82
O=C(CCC1=CC=CC(=O)N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020216059	1	42	-1.0	-47.92	328.92	4.05	-43.87
O=C(C1=CSC(Cl)=C1Cl)N1CCCCC1CC1=N[N-]N=N1	REAL300020216060	0	33	-1.0	-47.64	301.22	5.37	-42.27
O=C(C1=CSC(Cl)=C1Cl)N1CCCCC1CC1=NN=N[N-]1	REAL300020216060	1	33	-1.0	-47.63	301.21	5.38	-42.25
O=C(C1=CC(N2CCOCC2=O)=CC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020216061	0	48	-1.0	-60.50	372.33	4.81	-55.69
O=C(C1=CC(N2CCOCC2=O)=CC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020216061	1	48	-1.0	-60.53	372.36	4.82	-55.71
CC1=NN(C2CCC2)C=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020216062	0	46	-1.0	-50.00	346.68	5.70	-44.30
CC1=NN(C2CCC2)C=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020216062	1	46	-1.0	-50.04	346.72	5.70	-44.34
O=C(C1=CN(C2=CC=CC(F)=C2)N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020216063	0	43	-1.0	-49.84	342.48	6.59	-43.25
O=C(C1=CN(C2=CC=CC(F)=C2)N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020216063	1	43	-1.0	-49.82	342.45	6.59	-43.23
O=C(C1=CNC=C1Br)N1CCCCC1CC1=N[N-]N=N1	REAL300020216064	0	34	-1.0	-57.86	289.22	3.96	-53.90
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CCN1N=NC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1C	REAL300020216077	1	41	-1.0	-47.72	315.06	3.70	-44.02
CCC1=CC=C(N2C=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)N=N2)C=C1	REAL300020216078	0	48	-1.0	-47.80	375.93	7.11	-40.69
CCC1=CC=C(N2C=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)N=N2)C=C1	REAL300020216078	1	48	-1.0	-47.81	375.87	7.11	-40.70
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CC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CN(C)C1=O	REAL300020216081	0	42	-1.0	-50.32	327.28	5.06	-45.26
CC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CN(C)C1=O	REAL300020216081	1	42	-1.0	-50.32	327.33	5.07	-45.25
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CC(C)CC(CCC1=CC=CC=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020216083	0	57	-1.0	-49.01	408.60	11.25	-37.76
CC(C)CC(CCC1=CC=CC=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020216083	1	57	-1.0	-49.05	408.66	11.28	-37.77
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CCC1=NC2=CC(F)=CC=C2C=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020216085	0	47	-1.0	-39.77	369.35	7.49	-32.28
CCC1=NC2=CC(F)=CC=C2C=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020216085	1	47	-1.0	-39.74	369.40	7.49	-32.25
CC1=NN=NN1C1=CC(F)=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020216086	0	44	-1.0	-52.94	353.99	5.50	-47.44
CC1=NN=NN1C1=CC(F)=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020216086	1	44	-1.0	-52.99	354.02	5.50	-47.49
CC1(C)CCC(=O)C2=CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=CC=C21	REAL300020216087	0	51	-1.0	-53.77	380.59	7.96	-45.81
CC1(C)CCC(=O)C2=CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=CC=C21	REAL300020216087	1	51	-1.0	-53.78	380.63	7.98	-45.80
CC1=CC(Cl)=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020216088	0	36	-1.0	-51.62	308.07	5.95	-45.67
CC1=CC(Cl)=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020216088	1	36	-1.0	-51.68	308.14	5.95	-45.73
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O=C(CC1=CC=C(N2CCOCC2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020216090	0	52	-1.0	-49.80	391.94	4.91	-44.89
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CCC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1Cl	REAL300020216095	0	42	-1.0	-47.53	335.34	7.18	-40.35
CCC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1Cl	REAL300020216095	1	42	-1.0	-47.51	335.38	7.19	-40.32
CC1=CN=C(N2CCOCC2)N=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020216096	0	50	-1.0	-44.70	381.14	4.63	-40.07
CC1=CN=C(N2CCOCC2)N=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020216096	1	50	-1.0	-44.70	381.10	4.62	-40.08
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O=C(C1=CC=C(CC2CC2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020216097	1	46	-1.0	-49.03	354.25	8.40	-40.63
O=C(C1=CC(Br)=C2OC=CC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020216098	0	39	-1.0	-48.90	328.71	6.33	-42.57
O=C(C1=CC(Br)=C2OC=CC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020216098	1	39	-1.0	-48.92	328.75	6.35	-42.57
O=C(C1=C(Cl)C2=NC=CC=C2S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020216099	0	38	-1.0	-57.18	327.42	5.72	-51.46
O=C(C1=C(Cl)C2=NC=CC=C2S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020216099	1	38	-1.0	-57.15	327.40	5.70	-51.45
N#CC1=CC=C(CCC(=O)N2CCCCC2CC2=N[N-]N=N2)C(F)=C1	REAL300020216100	0	43	-1.0	-46.37	350.78	7.66	-38.71
N#CC1=CC=C(CCC(=O)N2CCCCC2CC2=NN=N[N-]2)C(F)=C1	REAL300020216100	1	43	-1.0	-46.40	350.83	7.66	-38.74
O=C(C1=C(F)C=C2OCC(=O)NC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020216101	0	42	-1.0	-51.41	334.03	2.62	-48.79
O=C(C1=C(F)C=C2OCC(=O)NC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020216101	1	42	-1.0	-51.39	334.04	2.65	-48.74
O=C(C1=CN=C2CCCCC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020216102	0	45	-1.0	-48.85	337.85	5.99	-42.86
O=C(C1=CN=C2CCCCC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020216102	1	45	-1.0	-48.80	337.89	5.99	-42.81
CCC1=CC=C([N+](=O)[O-])C=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020216103	0	44	-1.0	-49.97	343.79	7.48	-42.49
CCC1=CC=C([N+](=O)[O-])C=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020216103	1	44	-1.0	-49.96	343.85	7.49	-42.47
O=C(C1CCC1C1=CC=CC=C1Cl)N1CCCCC1CC1=N[N-]N=N1	REAL300020216104	0	46	-1.0	-52.03	365.13	8.26	-43.77
O=C(C1CCC1C1=CC=CC=C1Cl)N1CCCCC1CC1=NN=N[N-]1	REAL300020216104	1	46	-1.0	-52.02	365.19	8.29	-43.73
COCCN1C=CC2=CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=CC=C21	REAL300020216105	0	50	-1.0	-52.39	389.47	7.10	-45.29
COCCN1C=CC2=CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=CC=C21	REAL300020216105	1	50	-1.0	-52.42	389.50	7.10	-45.32
CC(C)N1C=CC2=CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=CC=C21	REAL300020216106	0	49	-1.0	-52.57	373.83	8.51	-44.06
CC(C)N1C=CC2=CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=CC=C21	REAL300020216106	1	49	-1.0	-52.58	373.86	8.51	-44.07
O=C(C=CC1=CC=C2OCOC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020216107	0	43	-1.0	-51.75	337.99	5.58	-46.17
O=C(C=CC1=CC=C2OCOC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020216107	1	43	-1.0	-51.73	338.04	5.59	-46.14
CC1(C)COCCC1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020216108	0	46	-1.0	-49.12	313.61	4.64	-44.48
CC1(C)COCCC1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020216108	1	46	-1.0	-49.13	313.66	4.64	-44.49
O=C(C1=CC=CC2=NN=CN21)N1CCCCC1CC1=NN=N[N-]1	REAL300020216109	0	38	-1.0	-48.96	303.54	6.61	-42.35
O=C(C1=CC=CC2=NN=CN21)N1CCCCC1CC1=N[N-]N=N1	REAL300020216109	1	38	-1.0	-48.96	303.49	6.59	-42.37
C=CCOCC(C(=O)N1CCCCC1CC1=N[N-]N=N1)C(C)(C)C	REAL300020216110	0	52	-1.0	-45.02	366.24	6.87	-38.15
C=CCOCC(C(=O)N1CCCCC1CC1=NN=N[N-]1)C(C)(C)C	REAL300020216110	1	52	-1.0	-45.05	366.27	6.87	-38.18
CC12CCCN1S(=O)(=O)C(C(=O)N1CCCCC1CC1=N[N-]N=N1)C2	REAL300020216111	0	48	-1.0	-49.68	360.89	2.06	-47.62
CC12CCCN1S(=O)(=O)C(C(=O)N1CCCCC1CC1=NN=N[N-]1)C2	REAL300020216111	1	48	-1.0	-49.71	360.94	2.06	-47.65
CN1N=CC(C(F)F)=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020216112	0	39	-1.0	-50.73	319.73	4.34	-46.39
CN1N=CC(C(F)F)=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020216112	1	39	-1.0	-50.73	319.68	4.32	-46.41
CC1=NN(C2CCC2)C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020216113	0	46	-1.0	-48.04	346.29	5.71	-42.33
CC1=NN(C2CCC2)C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020216113	1	46	-1.0	-48.06	346.33	5.74	-42.32
O=C(C1=CC=NN1CCC(F)(F)F)N1CCCCC1CC1=NN=N[N-]1	REAL300020216114	0	42	-1.0	-47.27	337.84	5.04	-42.23
O=C(C1=CC=NN1CCC(F)(F)F)N1CCCCC1CC1=N[N-]N=N1	REAL300020216114	1	42	-1.0	-47.29	337.75	5.04	-42.25
COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020216115	0	47	-1.0	-53.24	374.43	7.76	-45.48
COC1=CC=CC(Cl)=C1[C@@H]1C[C@H]1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020216115	1	47	-1.0	-53.28	374.46	7.77	-45.51
CC1(C)CCCOC1CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020216116	0	49	-1.0	-49.14	351.51	5.69	-43.45
CC1(C)CCCOC1CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020216116	1	49	-1.0	-49.09	351.57	5.70	-43.39
CN1N=CC(Cl)=C1C1=NOC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020216117	0	42	-1.0	-43.70	350.12	4.58	-39.12
CN1N=CC(Cl)=C1C1=NOC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020216117	1	42	-1.0	-43.75	350.17	4.60	-39.15
O=C(C=CC1=CC=C(Cl)C=C1F)N1CCCCC1CC1=N[N-]N=N1	REAL300020216118	0	40	-1.0	-51.56	333.93	7.48	-44.08
O=C(C=CC1=CC=C(Cl)C=C1F)N1CCCCC1CC1=NN=N[N-]1	REAL300020216118	1	40	-1.0	-51.61	333.98	7.48	-44.13
CC(=O)NC(COC(C)C)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020216119	0	49	-1.0	-54.39	373.35	3.08	-51.31
CC(=O)NC(COC(C)C)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020216119	1	49	-1.0	-54.40	373.41	3.10	-51.30
CC1(C)OCC(CCC(=O)N2CCCCC2CC2=N[N-]N=N2)O1	REAL300020216120	0	47	-1.0	-49.70	354.64	4.64	-45.06
CC1(C)OCC(CCC(=O)N2CCCCC2CC2=NN=N[N-]2)O1	REAL300020216120	1	47	-1.0	-49.74	354.69	4.64	-45.10
CCCCOC1=CC=C(C=CC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020216121	0	53	-1.0	-49.49	406.32	8.73	-40.76
CCCCOC1=CC=C(C=CC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020216121	1	53	-1.0	-49.51	406.37	8.73	-40.78
COC1=CC2=CC=C(CC(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2C=C1	REAL300020216122	0	49	-1.0	-53.34	378.74	8.05	-45.29
COC1=CC2=CC=C(CC(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2C=C1	REAL300020216122	1	49	-1.0	-53.35	378.78	8.06	-45.29
CC(C)CC(CC1=CC=CC=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020216123	0	54	-1.0	-51.26	367.53	8.82	-42.44
CC(C)CC(CC1=CC=CC=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020216123	1	54	-1.0	-51.22	367.57	8.83	-42.39
O=C(C1=CC=C2C=COC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020216124	0	39	-1.0	-50.92	307.42	5.71	-45.21
O=C(C1=CC=C2C=COC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020216124	1	39	-1.0	-50.95	307.45	5.73	-45.22
O=C(C1=CC(F)=C(Br)C(F)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020216125	0	36	-1.0	-42.55	312.79	6.08	-36.47
O=C(C1=CC(F)=C(Br)C(F)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020216125	1	36	-1.0	-42.58	312.83	6.10	-36.48
O=C([C@@H]1C[C@H]1C1=CC=NC=C1Cl)N1CCCCC1CC1=N[N-]N=N1	REAL300020216126	0	42	-1.0	-50.70	344.63	6.04	-44.66
O=C([C@@H]1C[C@H]1C1=CC=NC=C1Cl)N1CCCCC1CC1=NN=N[N-]1	REAL300020216126	1	42	-1.0	-50.71	344.69	6.06	-44.65
O=C(C1=NC=C(F)C2=CC=CC=C21)N1CCCCC1CC1=NN=N[N-]1	REAL300020216127	0	41	-1.0	-52.31	328.35	6.06	-46.25
O=C(C1=NC=C(F)C2=CC=CC=C21)N1CCCCC1CC1=N[N-]N=N1	REAL300020216127	1	41	-1.0	-52.32	328.30	6.04	-46.28
COC(=O)C1=CC=C(C=CC(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020216128	0	45	-1.0	-49.36	362.56	5.77	-43.59
COC(=O)C1=CC=C(C=CC(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020216128	1	45	-1.0	-49.39	362.61	5.78	-43.61
CC1=C(C)NC(=O)C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020216129	0	42	-1.0	-55.74	317.29	3.11	-52.63
CC1=C(C)NC(=O)C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020216129	1	42	-1.0	-55.70	317.34	3.11	-52.59
CCN1N=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1C	REAL300020216130	0	42	-1.0	-54.54	322.21	5.17	-49.37
CCN1N=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1C	REAL300020216130	1	42	-1.0	-54.56	322.27	5.17	-49.39
CC1=CC(C(F)(F)F)=CC=C1CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020216131	0	45	-1.0	-46.44	358.17	7.93	-38.51
CC1=CC(C(F)(F)F)=CC=C1CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020216131	1	45	-1.0	-46.44	358.20	7.94	-38.50
CC(CC(=O)N1CCCCC1CC1=N[N-]N=N1)C1=CC=C(F)C(F)=C1	REAL300020216132	0	45	-1.0	-44.96	347.56	7.93	-37.03
CC(CC(=O)N1CCCCC1CC1=NN=N[N-]1)C1=CC=C(F)C(F)=C1	REAL300020216132	1	45	-1.0	-44.93	347.59	7.95	-36.98
CCCN1C=CC=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020216133	0	43	-1.0	-42.35	331.63	6.65	-35.70
CCCN1C=CC=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020216133	1	43	-1.0	-42.35	331.69	6.67	-35.68
CC(C)(C)N1C=C(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020216134	0	48	-1.0	-52.21	370.56	5.86	-46.35
CC(C)(C)N1C=C(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020216134	1	48	-1.0	-52.21	370.49	5.85	-46.36
O=C(C1=CC(C2=NNC=C2)=CC=C1F)N1CCCCC1CC1=N[N-]N=N1	REAL300020216135	0	43	-1.0	-58.42	341.82	5.41	-53.01
O=C(C1=CC(C2=NNC=C2)=CC=C1F)N1CCCCC1CC1=NN=N[N-]1	REAL300020216135	1	43	-1.0	-58.40	341.84	5.41	-52.99
O=C(C1=CC(Cl)=C(F)C=C1[O-])N1CCCCC1CC1=N[N-]N=N1	REAL300020216136	0	36	-2.0	-106.16	306.63	4.75	-101.41
O=C(C1=CC(Cl)=C(F)C=C1[O-])N1CCCCC1CC1=NN=N[N-]1	REAL300020216136	1	36	-2.0	-106.26	306.62	4.78	-101.48
CCC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)SC(C2=NNC=N2)=N1	REAL300020216137	0	44	-1.0	-54.24	363.78	4.73	-49.51
CCC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)SC(C2=NNC=N2)=N1	REAL300020216137	1	44	-1.0	-54.28	363.83	4.73	-49.55
O=C(C1=CC(=O)NC(C2=CC=C(Cl)C=C2)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020216138	0	45	-1.0	-51.99	373.62	6.50	-45.49
O=C(C1=CC(=O)NC(C2=CC=C(Cl)C=C2)=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020216138	1	45	-1.0	-51.99	373.55	6.50	-45.49
O=C(C1=C2NC=NC2=CC(Br)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020216139	0	39	-1.0	-43.93	320.80	5.66	-38.27
O=C(C1=C2NC=NC2=CC(Br)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020216139	1	39	-1.0	-43.91	320.85	5.70	-38.21
O=C(C1=CC=C2NC(C3CC3)=NC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020216140	0	46	-1.0	-54.51	357.86	6.43	-48.08
O=C(C1=CC=C2NC(C3CC3)=NC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020216140	1	46	-1.0	-54.51	357.89	6.43	-48.08
CN(CC1=CC=CO1)C(=O)NCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020216141	0	48	-1.0	-48.97	376.39	4.12	-44.85
CN(CC1=CC=CO1)C(=O)NCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020216141	1	48	-1.0	-48.90	376.44	4.13	-44.77
CC1=NNC2=C1CC(C(=O)N1CCCCC1CC1=N[N-]N=N1)CC2	REAL300020216142	0	46	-1.0	-51.00	341.39	4.82	-46.18
CC1=NNC2=C1CC(C(=O)N1CCCCC1CC1=NN=N[N-]1)CC2	REAL300020216142	1	46	-1.0	-50.98	341.44	4.82	-46.16
CC1=C2CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)CCC2=NN1	REAL300020216142	1	46	-1.0	-50.36	341.52	4.84	-45.52
O=C(CC1=CC=C2NC(=O)CCC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020216143	0	47	-1.0	-50.49	363.11	5.68	-44.81
O=C(CC1=CC=C2NC(=O)CCC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020216143	1	47	-1.0	-50.51	363.16	5.70	-44.81
CSC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1[N+](=O)[O-]	REAL300020216144	0	42	-1.0	-45.37	343.87	6.92	-38.45
CSC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1[N+](=O)[O-]	REAL300020216144	1	42	-1.0	-45.35	343.90	6.94	-38.41
NS(=O)(=O)C1=COC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020216145	0	38	-1.0	-54.27	316.17	-1.45	-55.72
NS(=O)(=O)C1=COC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020216145	1	38	-1.0	-54.26	316.22	-1.45	-55.71
N#CC1=CC2=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=NN2C=C1	REAL300020216146	0	40	-1.0	-57.20	331.95	5.55	-51.65
N#CC1=CC2=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=NN2C=C1	REAL300020216146	1	40	-1.0	-55.36	331.10	5.91	-49.45
O=C(C1CCC2=NC(C(F)(F)F)=CN2C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020216147	0	46	-1.0	-47.02	362.13	6.66	-40.36
O=C(C1CCC2=NC(C(F)(F)F)=CN2C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020216147	1	46	-1.0	-47.01	362.18	6.66	-40.35
C[C@H](ONC(=O)OC(C)(C)C)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020216148	0	50	-1.0	-60.53	378.17	4.27	-56.26
C[C@H](ONC(=O)OC(C)(C)C)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020216148	1	50	-1.0	-60.55	378.22	4.29	-56.26
O=C(C(O)C1=CC=C(F)C(Cl)=C1F)N1CCCCC1CC1=N[N-]N=N1	REAL300020216149	0	40	-1.0	-44.61	336.92	4.27	-40.34
O=C(C(O)C1=CC=C(F)C(Cl)=C1F)N1CCCCC1CC1=NN=N[N-]1	REAL300020216149	1	40	-1.0	-44.62	336.98	4.27	-40.35
O=C(C1=CN2N=NC=C2C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020216150	0	38	-1.0	-49.44	302.14	3.89	-45.55
O=C(C1=CN2N=NC=C2C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020216150	1	38	-1.0	-49.46	302.09	3.88	-45.58
C[C@@H]1CC2=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)NN=C2[C@H](C)O1	REAL300020216151	0	47	-1.0	-48.65	352.23	3.71	-44.94
C[C@@H]1CC2=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)NN=C2[C@H](C)O1	REAL300020216151	1	47	-1.0	-48.24	353.22	3.78	-44.46
C[C@@H]1CC2=C(NN=C2C(=O)N2CCCCC2CC2=N[N-]N=N2)[C@H](C)O1	REAL300020216151	1	47	-1.0	-53.24	353.25	4.00	-49.24
C[C@@H]1CC2=C(NN=C2C(=O)N2CCCCC2CC2=NN=N[N-]2)[C@H](C)O1	REAL300020216151	1	47	-1.0	-53.22	353.30	4.01	-49.21
O=C(C1=CN(CCO)N=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020216152	0	39	-1.0	-47.78	309.83	-0.20	-47.98
O=C(C1=CN(CCO)N=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020216152	1	39	-1.0	-47.79	309.77	-0.20	-47.99
O=C(CCC1=C(Br)C=CS1)N1CCCCC1CC1=N[N-]N=N1	REAL300020216153	0	39	-1.0	-48.81	334.35	6.94	-41.87
O=C(CCC1=C(Br)C=CS1)N1CCCCC1CC1=NN=N[N-]1	REAL300020216153	1	39	-1.0	-48.82	334.40	6.95	-41.87
O=C(CCNC1=CN=CN=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020216154	0	42	-1.0	-51.54	328.23	3.49	-48.05
O=C(CCNC1=CN=CN=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020216154	1	42	-1.0	-51.54	328.18	3.47	-48.07
CC(C)(C)OC(=O)[C@@H]1CCC[C@H](C(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020216155	0	57	-1.0	-58.06	409.42	8.43	-49.63
CC(C)(C)OC(=O)[C@@H]1CCC[C@H](C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020216155	1	57	-1.0	-58.08	409.48	8.44	-49.64
O=C(CC1CC2(CCC2)C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020216156	0	46	-1.0	-49.73	339.96	7.43	-42.30
O=C(CC1CC2(CCC2)C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020216156	1	46	-1.0	-49.73	340.01	7.45	-42.28
O=C(C1CCCC(F)(F)CC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020216157	0	45	-1.0	-47.88	321.09	5.86	-42.02
O=C(C1CCCC(F)(F)CC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020216157	1	45	-1.0	-47.85	321.15	5.87	-41.98
O=C(C[C@@H](O)C1=CC=CC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020216158	0	43	-1.0	-49.50	331.40	4.74	-44.76
O=C(C[C@@H](O)C1=CC=CC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020216158	1	43	-1.0	-49.52	331.46	4.74	-44.78
O=C(C1CC(C2=CC=CC=C2F)=NO1)N1CCCCC1CC1=N[N-]N=N1	REAL300020216159	0	44	-1.0	-61.41	348.31	6.80	-54.61
O=C(C1CC(C2=CC=CC=C2F)=NO1)N1CCCCC1CC1=NN=N[N-]1	REAL300020216159	1	44	-1.0	-61.47	348.36	6.81	-54.66
O=C(C1=CC=C(C2CC2(F)F)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020216160	0	43	-1.0	-52.17	339.60	7.55	-44.62
O=C(C1=CC=C(C2CC2(F)F)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020216160	1	43	-1.0	-52.20	339.61	7.57	-44.63
O=C(CCCCCC(=O)N1CCCCC1CC1=N[N-]N=N1)NC1=CC=CC=C1	REAL300020216161	0	55	-1.0	-60.33	422.98	7.83	-52.50
O=C(CCCCCC(=O)N1CCCCC1CC1=NN=N[N-]1)NC1=CC=CC=C1	REAL300020216161	1	55	-1.0	-60.34	423.03	7.83	-52.51
O=C(C1CCC2=CC=NN2C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020216162	0	43	-1.0	-47.49	320.00	4.68	-42.81
O=C(C1CCC2=CC=NN2C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020216162	1	43	-1.0	-47.49	320.05	4.69	-42.80
O=C(C1=C2C=NSC2=CC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020216163	0	38	-1.0	-56.67	301.91	5.34	-51.33
O=C(C1=C2C=NSC2=CC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020216163	1	38	-1.0	-56.66	301.78	5.35	-51.31
O=C(C1=CC=CC2=NON=C21)N1CCCCC1CC1=NN=N[N-]1	REAL300020216164	0	37	-1.0	-63.45	293.22	4.04	-59.41
O=C(C1=CC=CC2=NON=C21)N1CCCCC1CC1=N[N-]N=N1	REAL300020216164	1	37	-1.0	-63.40	293.17	4.03	-59.37
CN1C=C(OCC(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020216165	0	40	-1.0	-54.52	317.04	3.91	-50.61
CN1C=C(OCC(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020216165	1	40	-1.0	-54.57	316.98	3.88	-50.69
CS(=O)(=O)C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C(Cl)=C1	REAL300020216166	0	42	-1.0	-53.02	352.58	3.33	-49.69
CS(=O)(=O)C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C(Cl)=C1	REAL300020216166	1	42	-1.0	-52.98	352.53	3.34	-49.64
CC(C)(C)OC(=O)NCC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=NO1	REAL300020216167	0	52	-1.0	-48.42	402.60	3.92	-44.50
CC(C)(C)OC(=O)NCC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=NO1	REAL300020216167	1	52	-1.0	-48.42	402.66	3.92	-44.50
O=C(C1=NC(C2CC2)=NC=C1Cl)N1CCCCC1CC1=N[N-]N=N1	REAL300020216168	0	41	-1.0	-46.22	333.00	6.38	-39.84
O=C(C1=NC(C2CC2)=NC=C1Cl)N1CCCCC1CC1=NN=N[N-]1	REAL300020216168	1	41	-1.0	-46.20	333.06	6.39	-39.81
CN(C)C1=CC2=CC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2C=C1	REAL300020216169	0	50	-1.0	-51.52	378.62	8.05	-43.47
CN(C)C1=CC2=CC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2C=C1	REAL300020216169	1	50	-1.0	-51.48	378.65	8.05	-43.43
COC1(CC(=O)N2CCCCC2CC2=N[N-]N=N2)CN(C(=O)OC(C)(C)C)C1	REAL300020216170	0	57	-1.0	-44.80	417.43	4.45	-40.35
COC1(CC(=O)N2CCCCC2CC2=NN=N[N-]2)CN(C(=O)OC(C)(C)C)C1	REAL300020216170	1	57	-1.0	-44.85	417.47	4.45	-40.40
C#CC1=CC=C(C2CC2C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020216171	0	45	-1.0	-51.39	347.27	8.99	-42.40
C#CC1=CC=C(C2CC2C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020216171	1	45	-1.0	-51.36	347.29	8.99	-42.37
CN1N=CC2=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C(C3CC3)N=C21	REAL300020216172	0	48	-1.0	-53.36	366.54	6.41	-46.95
CN1N=CC2=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C(C3CC3)N=C21	REAL300020216172	1	48	-1.0	-53.38	366.57	6.43	-46.95
COC1=CC=C(C=CC(=O)N2CCCCC2CC2=N[N-]N=N2)C(OC)=C1OC	REAL300020216173	0	52	-1.0	-55.74	405.62	6.20	-49.54
COC1=CC=C(C=CC(=O)N2CCCCC2CC2=NN=N[N-]2)C(OC)=C1OC	REAL300020216173	1	52	-1.0	-55.76	405.67	6.21	-49.55
O=C(C1=C2C(=O)NCCN2N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020216174	0	41	-1.0	-60.08	317.88	1.45	-58.63
O=C(C1=C2C(=O)NCCN2N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020216174	1	41	-1.0	-60.10	317.84	1.45	-58.65
CC=CC1=CC=C(OCC(=O)N2CCCCC2CC2=N[N-]N=N2)C(OC)=C1	REAL300020216175	0	51	-1.0	-55.49	398.86	7.55	-47.94
CC=CC1=CC=C(OCC(=O)N2CCCCC2CC2=NN=N[N-]2)C(OC)=C1	REAL300020216175	1	51	-1.0	-55.47	398.92	7.58	-47.89
O=C(C1CC(=O)CC12CCC2)N1CCCCC1CC1=N[N-]N=N1	REAL300020216176	0	45	-1.0	-45.96	318.10	5.63	-40.33
O=C(C1CC(=O)CC12CCC2)N1CCCCC1CC1=NN=N[N-]1	REAL300020216176	1	45	-1.0	-46.03	318.15	5.63	-40.40
CC1=CNC2=NC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C12	REAL300020216177	0	42	-1.0	-51.76	328.29	5.27	-46.49
CC1=CNC2=NC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C12	REAL300020216177	1	42	-1.0	-51.78	328.32	5.28	-46.50
O=C(C1=CC2=C(CCOC2)N=C1Cl)N1CCCCC1CC1=N[N-]N=N1	REAL300020216178	0	43	-1.0	-50.47	340.91	4.01	-46.46
O=C(C1=CC2=C(CCOC2)N=C1Cl)N1CCCCC1CC1=NN=N[N-]1	REAL300020216178	1	43	-1.0	-50.42	340.90	4.02	-46.40
O=C(C1CCC(OC2=CC=CC=C2)CC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020216179	0	53	-1.0	-49.75	389.35	8.24	-41.51
O=C(C1CCC(OC2=CC=CC=C2)CC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020216179	1	53	-1.0	-49.71	389.40	8.25	-41.46
CC1=NN=C(CC2=CC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2)O1	REAL300020216180	0	47	-1.0	-56.32	374.64	2.76	-53.56
CC1=NN=C(CC2=CC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2)O1	REAL300020216180	1	47	-1.0	-56.30	374.67	2.79	-53.51
O=C(C1CC2=CC=CN=C2C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020216181	0	42	-1.0	-49.07	319.61	5.69	-43.38
O=C(C1CC2=CC=CN=C2C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020216181	1	42	-1.0	-48.95	319.41	5.69	-43.26
O=C(C1CC(C2CC2)=NO1)N1CCCCC1CC1=N[N-]N=N1	REAL300020216182	0	41	-1.0	-55.97	317.81	5.34	-50.63
O=C(C1CC(C2CC2)=NO1)N1CCCCC1CC1=NN=N[N-]1	REAL300020216182	1	41	-1.0	-55.96	317.86	5.34	-50.62
O=C(C1=CN2C(=NN=C2C2=CC=CC=C2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020216183	0	48	-1.0	-51.97	373.25	8.90	-43.07
O=C(C1=CN2C(=NN=C2C2=CC=CC=C2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020216183	1	48	-1.0	-51.96	373.31	8.91	-43.05
CC1=CC2=CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=CN=C2C(F)=C1	REAL300020216184	0	44	-1.0	-50.26	348.94	6.44	-43.82
CC1=CC2=CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=CN=C2C(F)=C1	REAL300020216184	1	44	-1.0	-50.28	348.91	6.43	-43.85
CN1C=C(C2=NC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=CO2)C=N1	REAL300020216185	0	42	-1.0	-51.19	339.61	2.79	-48.40
CN1C=C(C2=NC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=CO2)C=N1	REAL300020216185	1	42	-1.0	-51.20	339.56	2.79	-48.41
COC1=C2C=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)NC2=C(C)C=C1	REAL300020216186	0	47	-1.0	-52.51	360.99	5.70	-46.81
COC1=C2C=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)NC2=C(C)C=C1	REAL300020216186	1	47	-1.0	-52.54	361.04	5.71	-46.83
CCCCOC1=CC=C(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020216187	0	52	-1.0	-48.97	397.18	8.26	-40.71
CCCCOC1=CC=C(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020216187	1	52	-1.0	-48.98	397.24	8.26	-40.72
COC1=NC2=CC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2C=C1	REAL300020216188	0	45	-1.0	-49.23	353.28	4.28	-44.95
COC1=NC2=CC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2C=C1	REAL300020216188	1	45	-1.0	-49.24	353.24	4.27	-44.97
CC1=CN2C(C(=O)N3CCCCC3CC3=NN=N[N-]3)=CN=C2S1	REAL300020216189	0	39	-1.0	-51.06	315.38	5.78	-45.28
CC1=CN2C(C(=O)N3CCCCC3CC3=N[N-]N=N3)=CN=C2S1	REAL300020216189	1	39	-1.0	-51.07	315.32	5.77	-45.30
O=C(C1=NOC(COC2=CC=C(F)C=C2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020216190	0	46	-1.0	-48.20	372.82	6.75	-41.45
O=C(C1=NOC(COC2=CC=C(F)C=C2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020216190	1	46	-1.0	-48.23	372.87	6.79	-41.44
O=C(C1=CC(Cl)=C(Cl)S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020216191	0	33	-1.0	-46.65	302.24	5.68	-40.97
O=C(C1=CC(Cl)=C(Cl)S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020216191	1	33	-1.0	-46.66	302.28	5.70	-40.96
CC(C)(C)C1=CC=NC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020216192	0	47	-1.0	-51.54	350.18	6.78	-44.76
CC(C)(C)C1=CC=NC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020216192	1	47	-1.0	-51.52	350.12	6.76	-44.76
COC1CC2(C1)CCC(C(=O)N1CCCCC1CC1=N[N-]N=N1)CC2	REAL300020216193	0	53	-1.0	-52.14	380.46	6.47	-45.67
COC1CC2(C1)CCC(C(=O)N1CCCCC1CC1=NN=N[N-]1)CC2	REAL300020216193	1	53	-1.0	-52.15	380.51	6.48	-45.67
CCCC(CCC1=CC=CC=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020216194	0	54	-1.0	-47.36	396.87	9.90	-37.46
CCCC(CCC1=CC=CC=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020216194	1	54	-1.0	-47.40	396.92	9.93	-37.47
CCC(C)(C)C1CCC(C(=O)N2CCCCC2CC2=N[N-]N=N2)CC1	REAL300020216195	0	57	-1.0	-46.66	367.07	8.28	-38.38
CCC(C)(C)C1CCC(C(=O)N2CCCCC2CC2=NN=N[N-]2)CC1	REAL300020216195	1	57	-1.0	-46.71	367.06	8.28	-38.43
CC1=CC2=CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=CN=C2C=C1	REAL300020216196	0	44	-1.0	-50.41	344.96	6.54	-43.87
CC1=CC2=CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=CN=C2C=C1	REAL300020216196	1	44	-1.0	-50.43	344.92	6.53	-43.90
CN1C=C(C2=CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=NO2)N=N1	REAL300020216197	0	41	-1.0	-56.82	333.07	3.67	-53.15
CN1C=C(C2=CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=NO2)N=N1	REAL300020216197	1	41	-1.0	-56.78	333.12	3.69	-53.09
O=C(C1COC2COCC21)N1CCCCC1CC1=N[N-]N=N1	REAL300020216198	0	42	-1.0	-54.22	297.14	2.23	-51.99
O=C(C1COC2COCC21)N1CCCCC1CC1=NN=N[N-]1	REAL300020216198	1	42	-1.0	-54.22	297.19	2.22	-52.00
O=C(C1CCC2(CC(=O)C2)CC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020216199	0	48	-1.0	-54.06	349.67	6.56	-47.50
O=C(C1CCC2(CC(=O)C2)CC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020216199	1	48	-1.0	-54.09	349.72	6.57	-47.52
O=C(C1=CC=C2OCCC(=O)C2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020216200	0	43	-1.0	-52.90	338.29	5.29	-47.61
O=C(C1=CC=C2OCCC(=O)C2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020216200	1	43	-1.0	-52.91	338.33	5.31	-47.60
CCC(CCC1=CC=CC=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020216201	0	51	-1.0	-50.61	375.79	8.71	-41.90
CCC(CCC1=CC=CC=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020216201	1	51	-1.0	-50.62	375.82	8.73	-41.89
COC1(C(F)(F)C(=O)N2CCCCC2CC2=N[N-]N=N2)CCCC1	REAL300020216202	0	46	-1.0	-42.17	322.87	5.60	-36.57
COC1(C(F)(F)C(=O)N2CCCCC2CC2=NN=N[N-]2)CCCC1	REAL300020216202	1	46	-1.0	-42.11	322.90	5.61	-36.50
O=C(CCC1=CC=C2CCOCC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020216203	0	50	-1.0	-49.00	378.20	7.34	-41.66
O=C(CCC1=CC=C2CCOCC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020216203	1	50	-1.0	-48.98	378.26	7.34	-41.64
O=C(C1CC12CCC(F)(F)CC2)N1CCCCC1CC1=N[N-]N=N1	REAL300020216204	0	46	-1.0	-52.10	342.82	7.47	-44.63
O=C(C1CC12CCC(F)(F)CC2)N1CCCCC1CC1=NN=N[N-]1	REAL300020216204	1	46	-1.0	-52.10	342.87	7.47	-44.63
CC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)N=C1Br	REAL300020216205	0	38	-1.0	-47.75	312.83	5.50	-42.25
CC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)N=C1Br	REAL300020216205	1	38	-1.0	-47.76	312.77	5.50	-42.26
CN(C)C1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1[N+](=O)[O-]	REAL300020216206	0	46	-1.0	-45.58	360.53	6.65	-38.93
CN(C)C1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1[N+](=O)[O-]	REAL300020216206	1	46	-1.0	-45.58	360.57	6.66	-38.92
O=C(C1=CC(Cl)=NC2=NC=CC=C12)N1CCCCC1CC1=NN=N[N-]1	REAL300020216207	0	40	-1.0	-48.78	329.44	5.32	-43.46
O=C(C1=CC(Cl)=NC2=NC=CC=C12)N1CCCCC1CC1=N[N-]N=N1	REAL300020216207	1	40	-1.0	-48.77	329.40	5.29	-43.48
COC(=O)C1=CSC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020216208	0	39	-1.0	-51.32	326.52	4.97	-46.35
COC(=O)C1=CSC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020216208	1	39	-1.0	-51.34	326.57	4.99	-46.35
CC(C)(C)C1=CN=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020216209	0	47	-1.0	-47.92	351.43	5.83	-42.09
CC(C)(C)C1=CN=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020216209	1	47	-1.0	-47.89	351.39	5.82	-42.07
O=C(C1=CC=C(OC2=CC=C(F)C=C2)S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020216210	0	44	-1.0	-48.96	366.92	7.47	-41.49
O=C(C1=CC=C(OC2=CC=C(F)C=C2)S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020216210	1	44	-1.0	-48.93	366.97	7.48	-41.45
COC1CC(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C1(C)C	REAL300020216211	0	49	-1.0	-53.96	359.59	5.70	-48.26
COC1CC(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C1(C)C	REAL300020216211	1	49	-1.0	-54.00	359.64	5.72	-48.28
CC(C)(C)C1=CC=NC2=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=NN21	REAL300020216212	0	50	-1.0	-58.77	375.79	6.80	-51.97
CC(C)(C)C1=CC=NC2=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=NN21	REAL300020216212	1	50	-1.0	-58.76	375.75	6.79	-51.97
O=C(C1CCC2(CC2(F)F)C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020216213	0	43	-1.0	-54.34	328.03	6.66	-47.68
O=C(C1CCC2(CC2(F)F)C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020216213	1	43	-1.0	-54.32	328.08	6.66	-47.66
O=C(C1CCCC2C1C2(F)F)N1CCCCC1CC1=N[N-]N=N1	REAL300020216214	0	43	-1.0	-43.01	316.40	6.50	-36.51
O=C(C1CCCC2C1C2(F)F)N1CCCCC1CC1=NN=N[N-]1	REAL300020216214	1	43	-1.0	-43.00	316.45	6.50	-36.50
C=C1CC2(C1)CC(C(=O)N1CCCCC1CC1=N[N-]N=N1)C2	REAL300020216215	0	44	-1.0	-46.28	335.75	6.68	-39.60
C=C1CC2(C1)CC(C(=O)N1CCCCC1CC1=NN=N[N-]1)C2	REAL300020216215	1	44	-1.0	-46.31	335.81	6.71	-39.60
C[C@H]1C2=CC=CC=C2O[C@H]1CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020216216	0	47	-1.0	-54.37	354.56	7.06	-47.31
C[C@H]1C2=CC=CC=C2O[C@H]1CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020216216	1	47	-1.0	-54.41	354.62	7.07	-47.34
O=C(CCC1=CC=CC(Br)=C1F)N1CCCCC1CC1=N[N-]N=N1	REAL300020216217	0	42	-1.0	-46.36	350.39	7.90	-38.46
O=C(CCC1=CC=CC(Br)=C1F)N1CCCCC1CC1=NN=N[N-]1	REAL300020216217	1	42	-1.0	-46.36	350.44	7.91	-38.45
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C(C(F)F)=NN1C	REAL300020216218	0	42	-1.0	-51.92	342.96	4.24	-47.68
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C(C(F)F)=NN1C	REAL300020216218	1	42	-1.0	-51.97	343.02	4.26	-47.71
COC(=O)[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020216219	0	47	-1.0	-60.80	344.43	4.80	-56.00
COC(=O)[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020216219	1	47	-1.0	-60.84	344.47	4.80	-56.04
CCC1=CC=C(C(=O)C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020216220	0	41	-1.0	-44.18	331.49	6.08	-38.10
CCC1=CC=C(C(=O)C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020216220	1	41	-1.0	-44.16	331.55	6.09	-38.07
COC1=CC(Br)=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1F	REAL300020216221	0	40	-1.0	-46.48	331.19	5.31	-41.17
COC1=CC(Br)=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1F	REAL300020216221	1	40	-1.0	-46.46	331.19	5.33	-41.13
CN1C=C(NC(=O)OC(C)(C)C)C=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020216222	0	54	-1.0	-43.62	405.46	5.33	-38.29
CN1C=C(NC(=O)OC(C)(C)C)C=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020216222	1	54	-1.0	-43.65	405.47	5.33	-38.32
O=C(C1=CC(C2CCCC2)=NN1)N1CCCCC1CC1=N[N-]N=N1	REAL300020216223	0	46	-1.0	-48.38	343.15	5.35	-43.03
O=C(C1=CC(C2CCCC2)=NN1)N1CCCCC1CC1=NN=N[N-]1	REAL300020216223	1	46	-1.0	-48.39	343.23	5.34	-43.05
CC1(C)OC2=CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=CC=C2NC1=O	REAL300020216224	0	48	-1.0	-48.50	372.67	4.11	-44.39
CC1(C)OC2=CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=CC=C2NC1=O	REAL300020216224	1	48	-1.0	-48.48	372.71	4.12	-44.36
O=C(C1=CC=CC2=C1CCC(=O)N2)N1CCCCC1CC1=N[N-]N=N1	REAL300020216225	0	44	-1.0	-49.60	335.13	4.61	-44.99
O=C(C1=CC=CC2=C1CCC(=O)N2)N1CCCCC1CC1=NN=N[N-]1	REAL300020216225	1	44	-1.0	-49.66	335.18	4.63	-45.03
CN1N=CC2=NC(C(F)F)=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C21	REAL300020216226	0	44	-1.0	-40.57	358.67	4.55	-36.02
CN1N=CC2=NC(C(F)F)=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C21	REAL300020216226	1	44	-1.0	-40.60	358.70	4.56	-36.04
COC(=O)C1=CC=CC2=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=CC=C12	REAL300020216227	0	48	-1.0	-44.97	376.02	8.56	-36.41
COC(=O)C1=CC=CC2=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=CC=C12	REAL300020216227	1	48	-1.0	-44.94	376.09	8.56	-36.38
O=C(C1=CN=CC2=C1CCNC2=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020216228	0	43	-1.0	-44.14	335.14	2.46	-41.68
O=C(C1=CN=CC2=C1CCNC2=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020216228	1	43	-1.0	-44.14	335.19	2.48	-41.66
CC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=NC=C1C(F)F	REAL300020216229	0	41	-1.0	-50.52	323.08	5.87	-44.65
CC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=NC=C1C(F)F	REAL300020216229	1	41	-1.0	-50.53	323.14	5.87	-44.66
O=C(C1=CC2=C(CCCNC2=O)S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020216230	0	44	-1.0	-53.26	348.07	3.60	-49.66
O=C(C1=CC2=C(CCCNC2=O)S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020216230	1	44	-1.0	-53.29	348.12	3.61	-49.68
CN(C)C(=O)C1=CN=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020216231	0	45	-1.0	-45.80	347.33	3.60	-42.20
CN(C)C(=O)C1=CN=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020216231	1	45	-1.0	-45.79	347.26	3.60	-42.19
O=C(C1CCC2C1C2(F)F)N1CCCCC1CC1=N[N-]N=N1	REAL300020216232	0	40	-1.0	-52.50	290.00	6.16	-46.34
O=C(C1CCC2C1C2(F)F)N1CCCCC1CC1=NN=N[N-]1	REAL300020216232	1	40	-1.0	-52.49	290.01	6.18	-46.31
O=C(C1=NC2=C(Cl)N=CC=C2C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020216233	0	40	-1.0	-50.58	330.94	5.30	-45.28
O=C(C1=NC2=C(Cl)N=CC=C2C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020216233	1	40	-1.0	-50.56	330.88	5.30	-45.26
CCOCC(NC(=O)OC(C)(C)C)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020216234	0	56	-1.0	-46.75	417.94	3.28	-43.47
CCOCC(NC(=O)OC(C)(C)C)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020216234	1	56	-1.0	-46.71	417.98	3.29	-43.42
CC(C)(C)OC(=O)N1CCC(C)(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020216235	0	59	-1.0	-54.71	423.27	7.04	-47.67
CC(C)(C)OC(=O)N1CCC(C)(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020216235	1	59	-1.0	-54.71	423.31	7.04	-47.67
CC(C)(C)OC(=O)NC1CC(C)(C(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020216236	0	56	-1.0	-51.34	403.60	4.99	-46.35
CC(C)(C)OC(=O)NC1CC(C)(C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020216236	1	56	-1.0	-51.35	403.66	5.02	-46.33
CC(C)(C)OC(=O)NC1CC2(C[C@@H]2C(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020216237	0	57	-1.0	-49.01	431.33	5.58	-43.43
CC(C)(C)OC(=O)NC1CC2(C[C@@H]2C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020216237	1	57	-1.0	-48.99	431.39	5.60	-43.39
COC1=CC=CC=C1OC(C)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020216238	0	47	-1.0	-59.16	356.19	6.16	-53.00
COC1=CC=CC=C1OC(C)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020216238	1	47	-1.0	-59.11	356.13	6.17	-52.94
CC1=C(Cl)C=NN1CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020216239	0	39	-1.0	-51.48	324.36	4.49	-46.99
CC1=C(Cl)C=NN1CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020216239	1	39	-1.0	-51.51	324.42	4.51	-47.00
CC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1S(=O)(=O)N(C)C	REAL300020216240	0	50	-1.0	-54.08	382.73	3.88	-50.20
CC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1S(=O)(=O)N(C)C	REAL300020216240	1	50	-1.0	-54.15	382.77	3.90	-50.25
CCC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)N2C=C(C)SC2=N1	REAL300020216241	0	45	-1.0	-51.38	356.13	7.04	-44.34
CCC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)N2C=C(C)SC2=N1	REAL300020216241	1	45	-1.0	-51.44	356.15	7.06	-44.38
O=C(C1CCC(C2CCCO2)O1)N1CCCCC1CC1=N[N-]N=N1	REAL300020216242	0	48	-1.0	-55.12	351.71	5.14	-49.98
O=C(C1CCC(C2CCCO2)O1)N1CCCCC1CC1=NN=N[N-]1	REAL300020216242	1	48	-1.0	-55.12	351.75	5.14	-49.98
O=C(C1=CC=C(F)C(C(F)(F)F)=C1Cl)N1CCCCC1CC1=N[N-]N=N1	REAL300020216243	0	39	-1.0	-46.53	330.52	6.73	-39.80
O=C(C1=CC=C(F)C(C(F)(F)F)=C1Cl)N1CCCCC1CC1=NN=N[N-]1	REAL300020216243	1	39	-1.0	-46.55	330.52	6.74	-39.81
CC1=CC(F)=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL300020216244	0	41	-1.0	-48.83	328.59	6.51	-42.32
CC1=CC(F)=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL300020216244	1	41	-1.0	-48.85	328.60	6.53	-42.32
CN1N=NC2=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=CC=C21	REAL300020216245	0	41	-1.0	-63.23	321.55	3.91	-59.32
CN1N=NC2=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=CC=C21	REAL300020216245	1	41	-1.0	-63.21	321.55	3.89	-59.32
O=C(C1=CN=C2OCCCC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020216246	0	43	-1.0	-50.57	328.73	2.84	-47.73
O=C(C1=CN=C2OCCCC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020216246	1	43	-1.0	-50.60	328.69	2.83	-47.77
O=C(C1=CC(C2=CC=NC=C2)=NO1)N1CCCCC1CC1=N[N-]N=N1	REAL300020216247	0	41	-1.0	-45.40	329.37	4.76	-40.64
O=C(C1=CC(C2=CC=NC=C2)=NO1)N1CCCCC1CC1=NN=N[N-]1	REAL300020216247	1	41	-1.0	-45.37	329.42	4.77	-40.60
O=C(N1CCCCC1CC1=N[N-]N=N1)C(F)(F)CCC1=CC=CC=C1	REAL300020216248	0	45	-1.0	-43.70	353.67	8.00	-35.70
O=C(N1CCCCC1CC1=NN=N[N-]1)C(F)(F)CCC1=CC=CC=C1	REAL300020216248	1	45	-1.0	-43.74	353.72	8.00	-35.74
CC1=CC2=C(C=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)S2)S1	REAL300020216249	0	39	-1.0	-51.41	328.27	6.87	-44.54
CC1=CC2=C(C=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)S2)S1	REAL300020216249	1	39	-1.0	-51.41	328.32	6.89	-44.52
O=C(CC12CCC(CC1)C2)N1CCCCC1CC1=N[N-]N=N1	REAL300020216250	0	46	-1.0	-47.57	331.44	6.64	-40.93
O=C(CC12CCC(CC1)C2)N1CCCCC1CC1=NN=N[N-]1	REAL300020216250	1	46	-1.0	-47.57	331.51	6.64	-40.93
O=C(C1CC=CC2=CC=CC=C21)N1CCCCC1CC1=N[N-]N=N1	REAL300020216251	0	44	-1.0	-49.24	330.80	7.85	-41.39
O=C(C1CC=CC2=CC=CC=C21)N1CCCCC1CC1=NN=N[N-]1	REAL300020216251	1	44	-1.0	-49.27	330.85	7.85	-41.42
NS(=O)(=O)CC1=CC=CC=C1CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020216252	0	47	-1.0	-55.44	366.15	2.51	-52.93
NS(=O)(=O)CC1=CC=CC=C1CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020216252	1	47	-1.0	-55.43	366.17	2.52	-52.91
O=C(C1=CC2=CC=C(C(F)(F)F)C=C2S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020216253	0	42	-1.0	-47.41	354.81	7.92	-39.49
O=C(C1=CC2=CC=C(C(F)(F)F)C=C2S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020216253	1	42	-1.0	-47.45	354.87	7.94	-39.51
O=C(C1=CN2C=NN=C2C=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020216254	0	37	-1.0	-48.06	295.12	5.65	-42.41
O=C(C1=CN2C=NN=C2C=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020216254	1	37	-1.0	-48.06	295.06	5.64	-42.42
O=C(CC1(C2=CC=C(C(F)(F)F)C=C2)CC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020216255	0	49	-1.0	-48.23	386.18	9.24	-38.99
O=C(CC1(C2=CC=C(C(F)(F)F)C=C2)CC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020216255	1	49	-1.0	-48.27	386.24	9.24	-39.03
CN1N=CC(C#N)=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020216256	0	37	-1.0	-44.38	305.94	3.54	-40.84
CN1N=CC(C#N)=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020216256	1	37	-1.0	-44.39	305.89	3.52	-40.87
CON(CCC(=O)N1CCCCC1CC1=N[N-]N=N1)C(=O)OC(C)(C)C	REAL300020216257	0	53	-1.0	-47.27	402.03	5.84	-41.43
CON(CCC(=O)N1CCCCC1CC1=NN=N[N-]1)C(=O)OC(C)(C)C	REAL300020216257	1	53	-1.0	-47.29	402.08	5.84	-41.45
O=C(C1=CC2=NNN=C2C(Br)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020216258	0	38	-1.0	-46.54	321.54	3.23	-43.31
O=C(C1=CC2=NNN=C2C(Br)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020216258	1	38	-1.0	-46.55	321.56	3.25	-43.30
CC(C)(C)OC(=O)NC1=NOC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020216259	0	49	-1.0	-48.77	376.33	4.19	-44.58
CC(C)(C)OC(=O)NC1=NOC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020216259	1	49	-1.0	-48.77	376.38	4.20	-44.57
O=C(C1=CC=CC2=NC=CC=C12)N1CCCCC1CC1=NN=N[N-]1	REAL300020216260	0	41	-1.0	-50.37	317.46	5.81	-44.56
O=C(C1=CC=CC2=NC=CC=C12)N1CCCCC1CC1=N[N-]N=N1	REAL300020216260	1	41	-1.0	-50.35	317.42	5.78	-44.57
COC(=O)C1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C(F)C=N1	REAL300020216261	0	41	-1.0	-49.39	333.81	4.27	-45.12
COC(=O)C1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C(F)C=N1	REAL300020216261	1	41	-1.0	-49.40	333.78	4.28	-45.12
CC1=CC2=C(OCC2)C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020216262	0	44	-1.0	-55.14	335.15	5.90	-49.24
CC1=CC2=C(OCC2)C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020216262	1	44	-1.0	-55.11	335.15	5.92	-49.19
O=C(C1=C2SC=CC2=CN=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020216263	0	38	-1.0	-50.73	308.96	4.88	-45.85
O=C(C1=C2SC=CC2=CN=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020216263	1	38	-1.0	-50.72	308.97	4.85	-45.87
CC(C)C(C)C(C)CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020216264	0	50	-1.0	-47.19	348.57	6.96	-40.23
CC(C)C(C)C(C)CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020216264	1	50	-1.0	-47.22	348.63	6.97	-40.25
COC1CC2(C1)CC(C(=O)N1CCCCC1CC1=N[N-]N=N1)C2	REAL300020216265	0	47	-1.0	-46.94	356.02	5.12	-41.82
COC1CC2(C1)CC(C(=O)N1CCCCC1CC1=NN=N[N-]1)C2	REAL300020216265	1	47	-1.0	-46.98	356.08	5.14	-41.84
CC(C)OCC1=CC=CC=C1CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020216266	0	52	-1.0	-49.99	399.11	7.54	-42.45
CC(C)OCC1=CC=CC=C1CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020216266	1	52	-1.0	-49.95	399.18	7.55	-42.40
CC1(C)CCC(C(=O)N2CCCCC2CC2=N[N-]N=N2)CO1	REAL300020216267	0	46	-1.0	-47.96	328.11	4.63	-43.33
CC1(C)CCC(C(=O)N2CCCCC2CC2=NN=N[N-]2)CO1	REAL300020216267	1	46	-1.0	-47.98	328.17	4.65	-43.33
O=C([C@@H]1C[C@H]1C1=C(Cl)C=CC=C1Cl)N1CCCCC1CC1=N[N-]N=N1	REAL300020216268	0	43	-1.0	-47.69	363.86	8.13	-39.56
O=C([C@@H]1C[C@H]1C1=C(Cl)C=CC=C1Cl)N1CCCCC1CC1=NN=N[N-]1	REAL300020216268	1	43	-1.0	-47.66	363.93	8.14	-39.52
O=C(CC1CCCNC(=O)C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020216269	0	46	-1.0	-64.85	335.54	3.34	-61.51
O=C(CC1CCCNC(=O)C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020216269	1	46	-1.0	-64.84	335.60	3.35	-61.49
O=C(C1=CN=C2C=C(Br)C=CN12)N1CCCCC1CC1=NN=N[N-]1	REAL300020216270	0	39	-1.0	-47.67	322.21	6.33	-41.34
O=C(C1=CN=C2C=C(Br)C=CN12)N1CCCCC1CC1=N[N-]N=N1	REAL300020216270	1	39	-1.0	-47.68	322.15	6.32	-41.36
CN1C=NC2=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=CC=C21	REAL300020216271	0	42	-1.0	-61.56	326.67	6.69	-54.87
CN1C=NC2=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=CC=C21	REAL300020216271	1	42	-1.0	-61.53	326.67	6.68	-54.85
O=C(C1=CC(C2=CC=CC=N2)=NN1)N1CCCCC1CC1=N[N-]N=N1	REAL300020216272	0	42	-1.0	-51.50	334.62	4.01	-47.49
O=C(C1=CC(C2=CC=CC=N2)=NN1)N1CCCCC1CC1=NN=N[N-]1	REAL300020216272	1	42	-1.0	-51.56	334.68	4.01	-47.55
O=C(C1=CN(C2CCS(=O)(=O)C2)N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020216273	0	46	-1.0	-55.39	364.65	1.60	-53.79
O=C(C1=CN(C2CCS(=O)(=O)C2)N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020216273	1	46	-1.0	-55.39	364.63	1.59	-53.80
NC1=NC(Cl)=C(Cl)N=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020216274	0	36	-1.0	-47.42	318.21	1.60	-45.82
NC1=NC(Cl)=C(Cl)N=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020216274	1	36	-1.0	-47.43	318.16	1.59	-45.84
O=C(C1=NC2=CC=CNC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020216275	0	39	-1.0	-69.21	305.68	4.39	-64.82
O=C(C1=NC2=CC=CNC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020216275	1	39	-1.0	-69.23	305.73	4.40	-64.83
COC1=C(Cl)C=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C2=NC=CC=C21	REAL300020216276	0	45	-1.0	-54.14	365.45	5.89	-48.25
COC1=C(Cl)C=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C2=NC=CC=C21	REAL300020216276	1	45	-1.0	-54.11	365.40	5.88	-48.23
CN1N=CC(C(=O)OC(C)(C)C)=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020216277	0	51	-1.0	-48.34	394.66	5.76	-42.58
CN1N=CC(C(=O)OC(C)(C)C)=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020216277	1	51	-1.0	-48.34	394.61	5.75	-42.59
O=C(C1C2C3CC1C(=O)C32)N1CCCCC1CC1=N[N-]N=N1	REAL300020216278	0	40	-1.0	-44.40	305.43	4.91	-39.49
O=C(C1C2C3CC1C(=O)C32)N1CCCCC1CC1=NN=N[N-]1	REAL300020216278	1	40	-1.0	-44.39	305.49	4.93	-39.46
O=C(C1=CC=CN2N=NC=C12)N1CCCCC1CC1=NN=N[N-]1	REAL300020216279	0	38	-1.0	-50.66	305.32	4.17	-46.49
O=C(C1=CC=CN2N=NC=C12)N1CCCCC1CC1=N[N-]N=N1	REAL300020216279	1	38	-1.0	-50.63	305.26	4.15	-46.48
CC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=NN1CC(F)(F)F	REAL300020216529	0	42	-1.0	-55.47	340.30	5.53	-49.94
CC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=NN1CC(F)(F)F	REAL300020216529	1	42	-1.0	-55.49	340.35	5.54	-49.95
CN1C=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C2=CC=CC(Cl)=C21	REAL300020216530	0	43	-1.0	-51.52	344.89	7.34	-44.18
CN1C=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C2=CC=CC(Cl)=C21	REAL300020216530	1	43	-1.0	-51.53	344.91	7.35	-44.18
CC1=C(C2=CC=CC=C2)ON=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020216531	0	45	-1.0	-47.85	353.43	7.75	-40.10
CC1=C(C2=CC=CC=C2)ON=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020216531	1	45	-1.0	-47.82	353.38	7.75	-40.07
O=C(C=CC1=C(Br)C=CS1)N1CCCCC1CC1=N[N-]N=N1	REAL300020216532	0	37	-1.0	-50.26	321.82	6.57	-43.69
O=C(C=CC1=C(Br)C=CS1)N1CCCCC1CC1=NN=N[N-]1	REAL300020216532	1	37	-1.0	-50.26	321.87	6.58	-43.68
O=C(C=CC1=C(Br)SC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020216533	0	37	-1.0	-51.27	321.99	6.51	-44.76
O=C(C=CC1=C(Br)SC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020216533	1	37	-1.0	-51.30	322.05	6.53	-44.77
O=C(C(F)C1CCOCC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020216534	0	43	-1.0	-47.30	319.79	4.24	-43.06
O=C(C(F)C1CCOCC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020216534	1	43	-1.0	-47.29	319.84	4.24	-43.05
CCC1=CC=NC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020216535	0	41	-1.0	-51.66	316.29	5.85	-45.81
CCC1=CC=NC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020216535	1	41	-1.0	-51.64	316.34	5.87	-45.77
O=C(C1=CN=CC(N2C=CC=N2)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020216536	0	41	-1.0	-47.70	328.90	4.83	-42.87
O=C(C1=CN=CC(N2C=CC=N2)=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020216536	1	41	-1.0	-47.74	328.84	4.81	-42.93
O=C(C1=CC(F)=CC2=CN=CC=C21)N1CCCCC1CC1=NN=N[N-]1	REAL300020216537	0	41	-1.0	-49.29	323.89	6.00	-43.29
O=C(C1=CC(F)=CC2=CN=CC=C21)N1CCCCC1CC1=N[N-]N=N1	REAL300020216537	1	41	-1.0	-49.31	323.82	5.98	-43.33
CN1N=NC=C1C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020216538	0	45	-1.0	-50.96	349.71	5.14	-45.82
CN1N=NC=C1C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020216538	1	45	-1.0	-50.99	349.74	5.15	-45.84
O=C(C#CC1=CC=C(F)C(F)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020216539	0	38	-1.0	-44.91	328.47	6.86	-38.05
O=C(C#CC1=CC=C(F)C(F)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020216539	1	38	-1.0	-46.99	328.53	6.89	-40.10
CC(C)(C)OC(=O)N1CC=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020216540	0	54	-1.0	-58.57	392.04	6.81	-51.76
CC(C)(C)OC(=O)N1CC=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020216540	1	54	-1.0	-58.57	392.10	6.82	-51.75
NC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=NN1C1=CC=C(F)C=C1	REAL300020216541	0	45	-1.0	-45.57	358.37	5.92	-39.65
NC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=NN1C1=CC=C(F)C=C1	REAL300020216541	1	45	-1.0	-45.61	358.19	5.92	-39.69
CC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC2=NNN=C21	REAL300020216542	0	41	-1.0	-48.61	321.67	3.27	-45.34
CC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC2=NNN=C21	REAL300020216542	1	41	-1.0	-48.60	321.71	3.29	-45.31
O=C(C1=CC=CC(N2C=CC=C2)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020216543	0	43	-1.0	-49.44	335.95	8.35	-41.09
O=C(C1=CC=CC(N2C=CC=C2)=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020216543	1	43	-1.0	-49.46	335.92	8.34	-41.12
O=C(CCC1=CC=C2OC=NC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020216544	0	44	-1.0	-51.27	346.40	4.21	-47.06
O=C(CCC1=CC=C2OC=NC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020216544	1	44	-1.0	-51.31	346.45	4.22	-47.09
CC1(C)NC(=O)CC1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020216545	0	43	-1.0	-49.65	314.88	2.06	-47.59
CC1(C)NC(=O)CC1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020216545	1	43	-1.0	-49.61	314.93	2.06	-47.55
O=C([C@@H]1NC(=O)[C@H]2CC[C@H]21)N1CCCCC1CC1=N[N-]N=N1	REAL300020216546	0	41	-1.0	-53.99	306.38	2.26	-51.73
O=C([C@@H]1NC(=O)[C@H]2CC[C@H]21)N1CCCCC1CC1=NN=N[N-]1	REAL300020216546	1	41	-1.0	-54.06	306.43	2.27	-51.79
O=C(C1=CC2=C(CCSC2)N=C1Cl)N1CCCCC1CC1=N[N-]N=N1	REAL300020216547	0	43	-1.0	-49.27	350.52	6.20	-43.07
O=C(C1=CC2=C(CCSC2)N=C1Cl)N1CCCCC1CC1=NN=N[N-]1	REAL300020216547	1	43	-1.0	-49.25	350.51	6.20	-43.05
O=C(C1=CC(Cl)=CC2=C1NCCC2)N1CCCCC1CC1=N[N-]N=N1	REAL300020216548	0	45	-1.0	-49.17	350.68	6.03	-43.14
O=C(C1=CC(Cl)=CC2=C1NCCC2)N1CCCCC1CC1=NN=N[N-]1	REAL300020216548	1	45	-1.0	-49.14	350.64	6.07	-43.07
NC1=NC(C2=COC=C2)=NC=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020216549	0	43	-1.0	-44.55	348.01	4.01	-40.54
NC1=NC(C2=COC=C2)=NC=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020216549	1	43	-1.0	-44.57	347.97	4.00	-40.57
CC1=C(C(N)=O)C=CC=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020216550	0	43	-1.0	-46.10	330.19	3.32	-42.78
CC1=C(C(N)=O)C=CC=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020216550	1	43	-1.0	-46.07	330.25	3.34	-42.73
O=C(CC1=CC(Cl)=CC(Br)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020216551	0	39	-1.0	-47.61	346.00	7.20	-40.41
O=C(CC1=CC(Cl)=CC(Br)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020216551	1	39	-1.0	-47.61	346.06	7.22	-40.39
CN1N=C(C(F)(F)F)C=C1CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020216552	0	42	-1.0	-51.43	345.64	5.01	-46.42
CN1N=C(C(F)(F)F)C=C1CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020216552	1	42	-1.0	-51.46	345.69	5.02	-46.44
O=C(C1=CC2=CC=CC(OC(F)F)=C2O1)N1CCCCC1CC1=N[N-]N=N1	REAL300020216553	0	43	-1.0	-50.56	346.28	5.66	-44.90
O=C(C1=CC2=CC=CC(OC(F)F)=C2O1)N1CCCCC1CC1=NN=N[N-]1	REAL300020216553	1	43	-1.0	-50.63	346.34	5.68	-44.95
CC1CC(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C(C)O1	REAL300020216554	0	46	-1.0	-47.91	344.71	4.66	-43.25
CC1CC(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C(C)O1	REAL300020216554	1	46	-1.0	-47.89	344.77	4.66	-43.23
CCC1=CN2CCC(C(=O)N3CCCCC3CC3=N[N-]N=N3)CC2=N1	REAL300020216555	0	49	-1.0	-46.38	363.71	7.00	-39.38
CCC1=CN2CCC(C(=O)N3CCCCC3CC3=NN=N[N-]3)CC2=N1	REAL300020216555	1	49	-1.0	-46.39	363.76	7.01	-39.38
O=C(CC1CCCC2CCCCC12)N1CCCCC1CC1=N[N-]N=N1	REAL300020216556	0	55	-1.0	-48.65	374.11	8.68	-39.97
O=C(CC1CCCC2CCCCC12)N1CCCCC1CC1=NN=N[N-]1	REAL300020216556	1	55	-1.0	-48.63	374.16	8.68	-39.95
COC1=C2C(C(=O)N3CCCCC3CC3=N[N-]N=N3)=CSC2=CC=C1	REAL300020216557	0	43	-1.0	-52.66	340.57	6.96	-45.70
COC1=C2C(C(=O)N3CCCCC3CC3=NN=N[N-]3)=CSC2=CC=C1	REAL300020216557	1	43	-1.0	-52.59	340.53	6.97	-45.62
O=C(C1=C2C=CC=CC2=NS1)N1CCCCC1CC1=NN=N[N-]1	REAL300020216558	0	38	-1.0	-48.86	314.16	5.62	-43.24
O=C(C1=C2C=CC=CC2=NS1)N1CCCCC1CC1=N[N-]N=N1	REAL300020216558	1	38	-1.0	-48.83	314.11	5.62	-43.21
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)SC(F)=C1	REAL300020216559	0	36	-1.0	-45.30	297.27	5.12	-40.18
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)SC(F)=C1	REAL300020216559	1	36	-1.0	-45.34	297.33	5.14	-40.20
CC1(C)[C@H](C(=O)N2CCCCC2CC2=N[N-]N=N2)[C@@H]1C(F)F	REAL300020216560	0	42	-1.0	-52.83	307.98	6.10	-46.73
CC1(C)[C@H](C(=O)N2CCCCC2CC2=NN=N[N-]2)[C@@H]1C(F)F	REAL300020216560	1	42	-1.0	-52.81	308.03	6.11	-46.70
CN1N=NC2=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=CC=C21	REAL300020216561	0	41	-1.0	-63.23	321.55	3.91	-59.32
CN1N=NC2=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=CC=C21	REAL300020216561	1	41	-1.0	-63.21	321.55	3.89	-59.32
O=C(C1=C2SC(Br)=CN2C=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020216562	0	36	-1.0	-54.74	318.04	7.41	-47.33
O=C(C1=C2SC(Br)=CN2C=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020216562	1	36	-1.0	-54.73	317.99	7.40	-47.33
COC1=NC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C(C)=N1	REAL300020216563	0	41	-1.0	-46.49	318.95	0.71	-45.78
COC1=NC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C(C)=N1	REAL300020216563	1	41	-1.0	-46.52	319.01	0.75	-45.77
COC(=O)CC1(CC(=O)N2CCCCC2CC2=N[N-]N=N2)CC1	REAL300020216564	0	45	-1.0	-45.25	344.62	6.22	-39.03
COC(=O)CC1(CC(=O)N2CCCCC2CC2=NN=N[N-]2)CC1	REAL300020216564	1	45	-1.0	-45.29	344.68	6.23	-39.06
CC(CC1=CC=NC=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020216565	0	44	-1.0	-47.61	333.15	5.73	-41.88
CC(CC1=CC=NC=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020216565	1	44	-1.0	-47.59	333.20	5.73	-41.86
O=C(C1CC(N2C=CN=C2)C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020216566	0	43	-1.0	-53.49	328.34	6.77	-46.72
O=C(C1CC(N2C=CN=C2)C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020216566	1	43	-1.0	-53.47	328.39	6.78	-46.69
CC(C)CCCOCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020216567	0	48	-1.0	-51.35	359.72	6.38	-44.97
CC(C)CCCOCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020216567	1	48	-1.0	-51.37	359.77	6.39	-44.98
O=C(C(=O)N1CCCCC1CC1=N[N-]N=N1)C1=CNC2=CC=C(F)C=C12	REAL300020216568	0	42	-1.0	-43.98	335.12	5.42	-38.56
O=C(C(=O)N1CCCCC1CC1=NN=N[N-]1)C1=CNC2=CC=C(F)C=C12	REAL300020216568	1	42	-1.0	-43.95	335.18	5.43	-38.52
CC1=CC=CC(C(O)C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020216569	0	43	-1.0	-48.23	325.90	4.51	-43.72
CC1=CC=CC(C(O)C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020216569	1	43	-1.0	-48.21	325.95	4.51	-43.70
CC1CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)CN1C(=O)OC(C)(C)C	REAL300020216570	0	56	-1.0	-50.17	407.28	6.32	-43.85
CC1CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)CN1C(=O)OC(C)(C)C	REAL300020216570	1	56	-1.0	-50.14	407.33	6.33	-43.81
O=C(C1=CC2=C(CCCC2=O)N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020216571	0	43	-1.0	-64.48	333.23	5.13	-59.35
O=C(C1=CC2=C(CCCC2=O)N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020216571	1	43	-1.0	-64.49	333.35	5.14	-59.35
CC(C)(C)C1=CC=C2C(N)=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)SC2=N1	REAL300020216572	0	52	-1.0	-54.47	403.08	5.01	-49.46
CC(C)(C)C1=CC=C2C(N)=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)SC2=N1	REAL300020216572	1	52	-1.0	-54.44	403.01	5.00	-49.44
O=C(C1=COC(CN2C=CC=N2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020216573	0	43	-1.0	-58.76	343.10	5.36	-53.40
O=C(C1=COC(CN2C=CC=N2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020216573	1	43	-1.0	-58.70	343.15	5.38	-53.32
N#CC1=CNC2=CC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C12	REAL300020216574	0	41	-1.0	-58.64	332.79	5.90	-52.74
N#CC1=CNC2=CC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C12	REAL300020216574	1	41	-1.0	-58.68	332.83	5.90	-52.78
O=C(C1=CNC(C2=CC=CC=C2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020216575	0	44	-1.0	-55.47	339.48	6.68	-48.79
O=C(C1=CNC(C2=CC=CC=C2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020216575	1	44	-1.0	-55.46	339.51	6.68	-48.78
CCC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C(F)=C1	REAL300020216576	0	42	-1.0	-52.35	326.43	6.80	-45.55
CCC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C(F)=C1	REAL300020216576	1	42	-1.0	-52.41	326.40	6.82	-45.59
CC(C)(C)C1CCC(C(O)C(=O)N2CCCCC2CC2=N[N-]N=N2)CC1	REAL300020216577	0	58	-1.0	-47.76	396.24	6.23	-41.53
CC(C)(C)C1CCC(C(O)C(=O)N2CCCCC2CC2=NN=N[N-]2)CC1	REAL300020216577	1	58	-1.0	-47.77	396.28	6.24	-41.53
CCOC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=CS1	REAL300020216578	0	40	-1.0	-56.00	319.55	4.92	-51.08
CCOC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=CS1	REAL300020216578	1	40	-1.0	-56.03	319.60	4.94	-51.09
NC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=NN1C1=CC=CC=C1F	REAL300020216579	0	45	-1.0	-51.98	353.47	5.60	-46.38
NC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=NN1C1=CC=CC=C1F	REAL300020216579	1	45	-1.0	-51.96	353.45	5.60	-46.36
O=C(C1=C2NC=CC2=CC(F)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020216580	0	40	-1.0	-48.28	315.06	5.44	-42.84
O=C(C1=C2NC=CC2=CC(F)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020216580	1	40	-1.0	-48.28	315.08	5.45	-42.83
CCC1=NNC(CC)=C1CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020216581	0	48	-1.0	-56.41	352.81	4.40	-52.01
CCC1=NNC(CC)=C1CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020216581	1	48	-1.0	-56.44	352.90	4.42	-52.02
CN(C)C1=NC2=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=CC=C2O1	REAL300020216582	0	46	-1.0	-63.28	356.71	3.78	-59.50
CN(C)C1=NC2=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=CC=C2O1	REAL300020216582	1	46	-1.0	-63.27	356.66	3.77	-59.50
O=C([C@@H](O)CC1=CC2=CC=CC=C2C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020216583	0	49	-1.0	-51.55	376.56	6.80	-44.75
O=C([C@@H](O)CC1=CC2=CC=CC=C2C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020216583	1	49	-1.0	-51.61	376.55	6.85	-44.76
CS(C)(=O)=NC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020216584	0	43	-1.0	-72.69	353.69	2.74	-69.95
CS(C)(=O)=NC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020216584	1	43	-1.0	-72.73	353.75	2.76	-69.97
CC(C)C[N@@H+]1CCCC(C(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020216585	0	54	0.0	-47.27	364.24	7.99	-39.28
CC(C)C[N@H+]1CCCC(C(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020216585	1	54	0.0	-57.85	377.44	7.65	-50.20
CC(C)C[N@@H+]1CCCC(C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020216585	1	54	0.0	-47.25	364.25	8.02	-39.23
CC(C)C[N@H+]1CCCC(C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020216585	1	54	0.0	-57.85	377.49	7.66	-50.19
CC[N@@H+]1CCCC(C(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020216586	0	48	0.0	-45.12	331.22	6.43	-38.69
CC[N@H+]1CCCC(C(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020216586	1	48	0.0	-49.53	329.99	6.28	-43.25
CC[N@@H+]1CCCC(C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020216586	1	48	0.0	-45.11	331.28	6.44	-38.67
CC[N@H+]1CCCC(C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020216586	1	48	0.0	-49.55	330.04	6.29	-43.26
O=C([C@@H]1C[C@H]1C1=CC=CC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020216587	0	43	-1.0	-49.10	330.15	7.74	-41.36
O=C([C@@H]1C[C@H]1C1=CC=CC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020216587	1	43	-1.0	-49.08	330.20	7.75	-41.33
CCC(=CC1=CC=CC=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020216588	0	46	-1.0	-51.33	333.92	7.68	-43.65
CCC(=CC1=CC=CC=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020216588	1	46	-1.0	-51.33	333.97	7.69	-43.64
CCC1=C(C2=CC=CS2)C(NC(=O)CCC2=N[N-]N=N2)=NN1	REAL300020217529	0	36	-1.0	-43.88	324.26	4.18	-39.70
CCC1=C(C2=CC=CS2)C(NC(=O)CCC2=NN=N[N-]2)=NN1	REAL300020217529	1	36	-1.0	-43.90	324.32	4.19	-39.71
CC1=C(C2=CC(C)=CC=C2)C(NC(=O)CCC2=N[N-]N=N2)=NN1	REAL300020217530	0	39	-1.0	-44.74	337.88	5.11	-39.63
CC1=C(C2=CC(C)=CC=C2)C(NC(=O)CCC2=NN=N[N-]2)=NN1	REAL300020217530	1	39	-1.0	-44.75	337.93	5.13	-39.62
CC1=C(C2=CC=CC(Cl)=C2)C(NC(=O)CCC2=N[N-]N=N2)=NN1	REAL300020217531	0	36	-1.0	-44.08	331.64	4.91	-39.17
CC1=C(C2=CC=CC(Cl)=C2)C(NC(=O)CCC2=NN=N[N-]2)=NN1	REAL300020217531	1	36	-1.0	-44.08	331.70	4.92	-39.16
NC(=O)[C@@H](CC1=CC=C(O)C=C1)NC(=O)CCC1=N[N-]N=N1	REAL300020217532	0	37	-1.0	-50.90	323.37	-2.17	-53.07
NC(=O)[C@@H](CC1=CC=C(O)C=C1)NC(=O)CCC1=NN=N[N-]1	REAL300020217532	1	37	-1.0	-50.88	323.41	-2.15	-53.03
CC1=C(C2=CC=C3OCOC3=C2)C(NC(=O)CCC2=N[N-]N=N2)=NN1	REAL300020217533	0	39	-1.0	-47.15	342.56	3.10	-44.05
CC1=C(C2=CC=C3OCOC3=C2)C(NC(=O)CCC2=NN=N[N-]2)=NN1	REAL300020217533	1	39	-1.0	-47.18	342.62	3.12	-44.06
CCC1=C(C2=CC=C3OCOC3=C2)C(NC(=O)CCC2=N[N-]N=N2)=NN1	REAL300020217534	0	42	-1.0	-46.41	358.65	3.65	-42.76
CCC1=C(C2=CC=C3OCOC3=C2)C(NC(=O)CCC2=NN=N[N-]2)=NN1	REAL300020217534	1	42	-1.0	-46.40	358.71	3.67	-42.73
CC1(C)C[C@H](NC(=O)CCC2=N[N-]N=N2)C2=CC(F)=CC=C2O1	REAL300020217535	0	40	-1.0	-42.68	325.57	3.74	-38.94
CC1(C)C[C@H](NC(=O)CCC2=NN=N[N-]2)C2=CC(F)=CC=C2O1	REAL300020217535	1	40	-1.0	-42.70	325.63	3.76	-38.94
C[N@@H+]1CCC2=C(C=C(CNC(=O)CCC3=N[N-]N=N3)C(=O)N2)C1	REAL300020217536	0	42	0.0	-85.07	342.71	1.83	-83.24
C[N@H+]1CCC2=C(C=C(CNC(=O)CCC3=N[N-]N=N3)C(=O)N2)C1	REAL300020217536	1	42	0.0	-84.93	342.72	1.83	-83.10
C[N@@H+]1CCC2=C(C=C(CNC(=O)CCC3=NN=N[N-]3)C(=O)N2)C1	REAL300020217536	1	42	0.0	-85.07	342.76	1.84	-83.23
C[N@H+]1CCC2=C(C=C(CNC(=O)CCC3=NN=N[N-]3)C(=O)N2)C1	REAL300020217536	1	42	0.0	-84.94	342.78	1.85	-83.09
COC1(OC)CC(C(N)=O)CN(C(=O)CCC2=N[N-]N=N2)C1	REAL300020217537	0	41	-1.0	-40.70	325.37	-1.65	-42.35
COC1(OC)CC(C(N)=O)CN(C(=O)CCC2=NN=N[N-]2)C1	REAL300020217537	1	41	-1.0	-40.72	325.42	-1.63	-42.35
CC(C)(C)OC(=O)NCC1(CNC(=O)CCC2=N[N-]N=N2)CC12CCC2	REAL300020217538	0	53	-1.0	-42.53	423.23	3.72	-38.81
CC(C)(C)OC(=O)NCC1(CNC(=O)CCC2=NN=N[N-]2)CC12CCC2	REAL300020217538	1	53	-1.0	-42.52	423.30	3.74	-38.78
CC(C)(C)OC(=O)N1C2CCC1C(NC(=O)CCC1=N[N-]N=N1)CCC2	REAL300020217539	0	53	-1.0	-44.54	395.24	5.29	-39.25
CC(C)(C)OC(=O)N1C2CCC1C(NC(=O)CCC1=NN=N[N-]1)CCC2	REAL300020217539	1	53	-1.0	-44.59	395.30	5.31	-39.28
CC(C)(C)OC(=O)N1CCCC2CN(C(=O)CCC3=N[N-]N=N3)CCC21	REAL300020217540	0	53	-1.0	-44.14	393.86	5.61	-38.53
CC(C)(C)OC(=O)N1CCCC2CN(C(=O)CCC3=NN=N[N-]3)CCC21	REAL300020217540	1	53	-1.0	-44.10	393.92	5.63	-38.47
CC(C)(C)OC(=O)N1CCC[C@@H]2CN(C(=O)CCC3=N[N-]N=N3)CC[C@@H]21	REAL300020217541	0	53	-1.0	-40.86	393.75	6.03	-34.83
CC(C)(C)OC(=O)N1CCC[C@@H]2CN(C(=O)CCC3=NN=N[N-]3)CC[C@@H]21	REAL300020217541	1	53	-1.0	-40.86	393.81	6.05	-34.81
CN1C2=CC=CC=C2C(NC(=O)CCC2=N[N-]N=N2)CS1(=O)=O	REAL300020217542	0	38	-1.0	-46.55	320.58	0.33	-46.22
CN1C2=CC=CC=C2C(NC(=O)CCC2=NN=N[N-]2)CS1(=O)=O	REAL300020217542	1	38	-1.0	-46.53	320.64	0.35	-46.18
CC(C)(C)OC(=O)[C@@H]1CCC[C@H](NC(=O)CCC2=N[N-]N=N2)C1	REAL300020217543	0	47	-1.0	-41.06	369.50	5.04	-36.02
CC(C)(C)OC(=O)[C@@H]1CCC[C@H](NC(=O)CCC2=NN=N[N-]2)C1	REAL300020217543	1	47	-1.0	-41.11	369.56	5.05	-36.06
O=C(CCC1=N[N-]N=N1)NC(CF)C1=CC=CC(Br)=C1	REAL300020217544	0	32	-1.0	-41.94	299.99	4.26	-37.68
O=C(CCC1=NN=N[N-]1)NC(CF)C1=CC=CC(Br)=C1	REAL300020217544	1	32	-1.0	-41.93	300.05	4.27	-37.66
O=C(CCC1=NN=N[N-]1)NCC1=NOC(C2=CC=C(Cl)C=C2)=C1	REAL300020217545	0	35	-1.0	-40.75	329.33	4.30	-36.45
O=C(CCC1=N[N-]N=N1)NCC1=NOC(C2=CC=C(Cl)C=C2)=C1	REAL300020217545	1	35	-1.0	-40.75	329.27	4.29	-36.46
CC(C)(C)OC(=O)N1CCOC2=CC(CNC(=O)CCC3=N[N-]N=N3)=CC=C21	REAL300020217546	0	51	-1.0	-43.70	409.51	4.21	-39.49
CC(C)(C)OC(=O)N1CCOC2=CC(CNC(=O)CCC3=NN=N[N-]3)=CC=C21	REAL300020217546	1	51	-1.0	-43.72	409.57	4.23	-39.49
CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](NC(=O)CCC2=N[N-]N=N2)CCO1	REAL300020217547	0	50	-1.0	-42.36	394.67	0.90	-41.46
CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](NC(=O)CCC2=NN=N[N-]2)CCO1	REAL300020217547	1	50	-1.0	-42.40	394.72	0.91	-41.49
CC1(C)OC2=CC=C(CNC(=O)CCC3=N[N-]N=N3)C=C2O1	REAL300020217548	0	38	-1.0	-41.41	325.82	2.99	-38.42
CC1(C)OC2=CC=C(CNC(=O)CCC3=NN=N[N-]3)C=C2O1	REAL300020217548	1	38	-1.0	-41.38	325.88	3.00	-38.38
CC(C)(C)OC(=O)NC1CC2(C1)CCCCN2C(=O)CCC1=N[N-]N=N1	REAL300020217549	0	53	-1.0	-47.76	400.65	4.01	-43.75
CC(C)(C)OC(=O)NC1CC2(C1)CCCCN2C(=O)CCC1=NN=N[N-]1	REAL300020217549	1	53	-1.0	-47.75	400.70	4.02	-43.73
CC(C)(C)OC(=O)N1CCN(C(=O)CCC2=N[N-]N=N2)C2(CCC2)C1	REAL300020217550	0	50	-1.0	-39.14	377.62	4.97	-34.17
CC(C)(C)OC(=O)N1CCN(C(=O)CCC2=NN=N[N-]2)C2(CCC2)C1	REAL300020217550	1	50	-1.0	-39.08	377.68	4.98	-34.10
CC(C)(C)OC(=O)NC1CN(C(=O)CCC2=N[N-]N=N2)C2(C1)CCOCC2	REAL300020217551	0	54	-1.0	-43.71	400.97	2.95	-40.76
CC(C)(C)OC(=O)NC1CN(C(=O)CCC2=NN=N[N-]2)C2(C1)CCOCC2	REAL300020217551	1	54	-1.0	-43.69	401.03	2.97	-40.72
CC(C)(C)OC(=O)N1CCCC(C2(NC(=O)CCC3=N[N-]N=N3)CC2)C1	REAL300020217552	0	53	-1.0	-42.59	397.74	4.87	-37.72
CC(C)(C)OC(=O)N1CCCC(C2(NC(=O)CCC3=NN=N[N-]3)CC2)C1	REAL300020217552	1	53	-1.0	-42.56	397.79	4.88	-37.68
CC1=CC(OC2=CC=NC=C2)=CC=C1NC(=O)CCC1=N[N-]N=N1	REAL300020217553	0	39	-1.0	-40.95	333.06	4.52	-36.43
CC1=CC(OC2=CC=NC=C2)=CC=C1NC(=O)CCC1=NN=N[N-]1	REAL300020217553	1	39	-1.0	-40.94	333.11	4.53	-36.41
CN1N=C(C(F)(F)F)C(Br)=C1CNC(=O)CCC1=N[N-]N=N1	REAL300020217554	0	32	-1.0	-39.81	317.53	1.72	-38.09
CN1N=C(C(F)(F)F)C(Br)=C1CNC(=O)CCC1=NN=N[N-]1	REAL300020217554	1	32	-1.0	-39.85	317.59	1.73	-38.12
CC(C)(C)OC(=O)C1CCCC(NC(=O)CCC2=N[N-]N=N2)C1	REAL300020217555	0	47	-1.0	-41.08	369.51	5.04	-36.04
CC(C)(C)OC(=O)C1CCCC(NC(=O)CCC2=NN=N[N-]2)C1	REAL300020217555	1	47	-1.0	-41.05	369.57	5.05	-36.00
O=C(CCC1=N[N-]N=N1)N1CCN2C(=NC(C(F)(F)F)=C2Br)C1	REAL300020217556	0	33	-1.0	-41.14	313.76	4.19	-36.95
O=C(CCC1=NN=N[N-]1)N1CCN2C(=NC(C(F)(F)F)=C2Br)C1	REAL300020217556	1	33	-1.0	-41.11	313.82	4.20	-36.91
CC(C)(C)OC(=O)[C@]1(C)CCCN1C(=O)CCC1=N[N-]N=N1	REAL300020217557	0	44	-1.0	-44.20	346.48	5.61	-38.59
CC(C)(C)OC(=O)[C@]1(C)CCCN1C(=O)CCC1=NN=N[N-]1	REAL300020217557	1	44	-1.0	-44.20	346.54	5.63	-38.57
CC(C)(C)OC(=O)[C@@]1(C)CCCN1C(=O)CCC1=N[N-]N=N1	REAL300020217558	0	44	-1.0	-41.28	342.35	6.23	-35.05
CC(C)(C)OC(=O)[C@@]1(C)CCCN1C(=O)CCC1=NN=N[N-]1	REAL300020217558	1	44	-1.0	-41.29	342.41	6.25	-35.04
CN(C)C1=NC=CC2=C1CCN(C(=O)CCC1=N[N-]N=N1)C2	REAL300020217559	0	40	-1.0	-40.59	324.79	3.97	-36.62
CN(C)C1=NC=CC2=C1CCN(C(=O)CCC1=NN=N[N-]1)C2	REAL300020217559	1	40	-1.0	-40.58	324.84	3.98	-36.60
CN(C)C1=[NH+]C=CC2=C1CCN(C(=O)CCC1=NN=N[N-]1)C2	REAL300020217559	1	41	0.0	-56.20	325.72	4.43	-51.77
CC(C)(C)OC(=O)NC1(C)CC(NC(=O)CCC2=N[N-]N=N2)C1	REAL300020217560	0	46	-1.0	-43.29	365.73	1.20	-42.09
CC(C)(C)OC(=O)NC1(C)CC(NC(=O)CCC2=NN=N[N-]2)C1	REAL300020217560	1	46	-1.0	-43.28	365.78	1.22	-42.06
CN1N=C(C(C)(C)NC(=O)CCC2=NN=N[N-]2)C2=CC=CC=C21	REAL300020217561	0	41	-1.0	-42.49	334.16	3.77	-38.72
CN1N=C(C(C)(C)NC(=O)CCC2=N[N-]N=N2)C2=CC=CC=C21	REAL300020217561	1	41	-1.0	-42.47	334.11	3.75	-38.72
CC1(CO)CC2=CC=CC=C2N(C(=O)CCC2=N[N-]N=N2)C1	REAL300020217562	0	40	-1.0	-40.97	315.39	3.27	-37.70
CC1(CO)CC2=CC=CC=C2N(C(=O)CCC2=NN=N[N-]2)C1	REAL300020217562	1	40	-1.0	-40.99	315.45	3.29	-37.70
CC(C)(O)C(CC1=CC=C(F)C=C1)NC(=O)CCC1=N[N-]N=N1	REAL300020217563	0	42	-1.0	-41.34	342.96	2.65	-38.69
CC(C)(O)C(CC1=CC=C(F)C=C1)NC(=O)CCC1=NN=N[N-]1	REAL300020217563	1	42	-1.0	-41.35	343.02	2.66	-38.69
O=C(CCC1=N[N-]N=N1)NC1=CC(Cl)=C2OCCCOC2=C1	REAL300020217564	0	35	-1.0	-41.06	310.68	3.06	-38.00
O=C(CCC1=NN=N[N-]1)NC1=CC(Cl)=C2OCCCOC2=C1	REAL300020217564	1	35	-1.0	-41.08	310.73	3.07	-38.01
O=C(CCC1=N[N-]N=N1)N[C@@H]1CC2(CCCC2)OC2=CC=C(F)C=C21	REAL300020217565	0	44	-1.0	-38.62	354.33	6.00	-32.62
O=C(CCC1=NN=N[N-]1)N[C@@H]1CC2(CCCC2)OC2=CC=C(F)C=C21	REAL300020217565	1	44	-1.0	-38.61	354.38	6.01	-32.60
O=C(CCC1=N[N-]N=N1)N[C@H]1CC2(CCC2)OC2=CC=C(F)C=C21	REAL300020217566	0	41	-1.0	-42.77	336.23	4.55	-38.22
O=C(CCC1=NN=N[N-]1)N[C@H]1CC2(CCC2)OC2=CC=C(F)C=C21	REAL300020217566	1	41	-1.0	-42.77	336.29	4.56	-38.21
O=C(CCC1=N[N-]N=N1)NC(CC1=CC=CC=C1)CC1CCCCC1	REAL300020217567	0	51	-1.0	-40.93	391.78	8.11	-32.82
O=C(CCC1=NN=N[N-]1)NC(CC1=CC=CC=C1)CC1CCCCC1	REAL300020217567	1	51	-1.0	-40.90	391.84	8.13	-32.77
COC(=O)C1CCC2=NC(NC(=O)CCC3=N[N-]N=N3)=NN2C1	REAL300020217568	0	38	-1.0	-46.86	327.16	5.17	-41.69
COC(=O)C1CCC2=NC(NC(=O)CCC3=NN=N[N-]3)=NN2C1	REAL300020217568	1	38	-1.0	-46.87	327.22	5.19	-41.68
CN(CC1=CN=C2C=CC(Cl)=CN12)C(=O)CCC1=N[N-]N=N1	REAL300020217569	0	35	-1.0	-42.71	313.00	5.69	-37.02
CN(CC1=CN=C2C=CC(Cl)=CN12)C(=O)CCC1=NN=N[N-]1	REAL300020217569	1	35	-1.0	-42.72	313.06	5.71	-37.01
CC(C)C[C@@H](CS(C)(=O)=O)NC(=O)CCC1=N[N-]N=N1	REAL300020217570	0	40	-1.0	-53.69	335.81	0.39	-53.30
CC(C)C[C@@H](CS(C)(=O)=O)NC(=O)CCC1=NN=N[N-]1	REAL300020217570	1	40	-1.0	-53.68	335.86	0.41	-53.27
O=C(CCC1=N[N-]N=N1)NCC1=NC2=C(CCCCC2)S1	REAL300020217571	0	38	-1.0	-40.40	323.47	2.99	-37.41
O=C(CCC1=NN=N[N-]1)NCC1=NC2=C(CCCCC2)S1	REAL300020217571	1	38	-1.0	-40.42	323.53	3.00	-37.42
O=C(CCC1=N[N-]N=N1)NC1=NNC(C2=CC=CC=C2C(F)(F)F)=C1	REAL300020217572	0	36	-1.0	-41.86	321.57	4.52	-37.34
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COC1=CC2=C(C(OC)=C1)C(C)(C)N(C(=O)CCC1=NN=N[N-]1)CC2	REAL300020217675	1	47	-1.0	-42.44	357.33	5.11	-37.33
CC(C)(C)OC(=O)N1CCC2(CNC(=O)CCC3=N[N-]N=N3)CCCCC12	REAL300020217676	0	56	-1.0	-44.88	414.59	4.87	-40.01
CC(C)(C)OC(=O)N1CCC2(CNC(=O)CCC3=NN=N[N-]3)CCCCC12	REAL300020217676	1	56	-1.0	-44.87	414.65	4.88	-39.99
CN1C(=O)NC(C2CCN(C(=O)CCC3=N[N-]N=N3)CC2)C1=O	REAL300020217677	0	41	-1.0	-46.86	331.79	1.38	-45.48
CN1C(=O)NC(C2CCN(C(=O)CCC3=NN=N[N-]3)CC2)C1=O	REAL300020217677	1	41	-1.0	-46.88	331.85	1.39	-45.49
CCC(NC(=O)CCC1=N[N-]N=N1)C1=CC(C)=CC(OC)=C1	REAL300020217678	0	42	-1.0	-40.30	339.85	4.11	-36.19
CCC(NC(=O)CCC1=NN=N[N-]1)C1=CC(C)=CC(OC)=C1	REAL300020217678	1	42	-1.0	-40.30	339.91	4.12	-36.18
CC1=CC=C(C(NC(=O)CCC2=N[N-]N=N2)C2=CC=CC=C2)C(C)=C1	REAL300020217679	0	45	-1.0	-40.87	367.83	7.90	-32.97
CC1=CC=C(C(NC(=O)CCC2=NN=N[N-]2)C2=CC=CC=C2)C(C)=C1	REAL300020217679	1	45	-1.0	-40.88	367.89	7.92	-32.96
CC1CC2=CC=C(OCC3=CC=CC=C3)C=C2CN1C(=O)CCC1=N[N-]N=N1	REAL300020217680	0	50	-1.0	-42.21	399.78	8.88	-33.33
CC1CC2=CC=C(OCC3=CC=CC=C3)C=C2CN1C(=O)CCC1=NN=N[N-]1	REAL300020217680	1	50	-1.0	-42.15	399.83	8.89	-33.26
CCOC(=O)[C@H](CC1CCCCC1)NC(=O)CCC1=N[N-]N=N1	REAL300020217681	0	47	-1.0	-43.08	375.02	5.79	-37.29
CCOC(=O)[C@H](CC1CCCCC1)NC(=O)CCC1=NN=N[N-]1	REAL300020217681	1	47	-1.0	-43.07	375.08	5.80	-37.27
CC1CC(C(F)(F)F)N(C(=O)CCC2=N[N-]N=N2)CC1C	REAL300020217682	0	38	-1.0	-41.22	293.81	4.96	-36.26
CC1CC(C(F)(F)F)N(C(=O)CCC2=NN=N[N-]2)CC1C	REAL300020217682	1	38	-1.0	-41.25	293.87	4.97	-36.28
CC(C)(C)OC(=O)C1(CNC(=O)CCC2=N[N-]N=N2)CCOC1	REAL300020217683	0	45	-1.0	-40.24	356.24	2.75	-37.49
CC(C)(C)OC(=O)C1(CNC(=O)CCC2=NN=N[N-]2)CCOC1	REAL300020217683	1	45	-1.0	-40.23	356.30	2.76	-37.47
CC1CN(C(=O)CCC2=N[N-]N=N2)CC2=CC(Br)=CC=C21	REAL300020217684	0	36	-1.0	-39.11	312.03	6.04	-33.07
CC1CN(C(=O)CCC2=NN=N[N-]2)CC2=CC(Br)=CC=C21	REAL300020217684	1	36	-1.0	-39.11	312.09	6.06	-33.05
O=C(CCC1=N[N-]N=N1)N1CCC2=CC3=C(C=C2C1)CCCC3	REAL300020217685	0	43	-1.0	-39.76	336.67	7.48	-32.28
O=C(CCC1=NN=N[N-]1)N1CCC2=CC3=C(C=C2C1)CCCC3	REAL300020217685	1	43	-1.0	-39.76	336.73	7.50	-32.26
COC(=O)[C@@H]1CN(C(=O)CCC2=N[N-]N=N2)C[C@H]1CNC(=O)OC(C)(C)C	REAL300020217686	0	52	-1.0	-45.95	421.20	3.04	-42.91
COC(=O)[C@@H]1CN(C(=O)CCC2=NN=N[N-]2)C[C@H]1CNC(=O)OC(C)(C)C	REAL300020217686	1	52	-1.0	-45.94	421.25	3.05	-42.89
COCCOCCOCCOCCCNC(=O)CCC1=N[N-]N=N1	REAL300020217687	0	50	-1.0	-44.67	419.29	0.40	-44.27
COCCOCCOCCOCCCNC(=O)CCC1=NN=N[N-]1	REAL300020217687	1	50	-1.0	-44.66	419.34	0.41	-44.25
CC1(C)C[C@@H](NC(=O)CCC2=N[N-]N=N2)C2=CC(F)=CC=C2O1	REAL300020217688	0	40	-1.0	-42.72	325.55	3.74	-38.98
CC1(C)C[C@@H](NC(=O)CCC2=NN=N[N-]2)C2=CC(F)=CC=C2O1	REAL300020217688	1	40	-1.0	-42.69	325.60	3.76	-38.93
O=C(CCC1=N[N-]N=N1)N1CC2(C1)OC(=O)NC21CCOCC1	REAL300020217689	0	40	-1.0	-49.08	321.17	-0.98	-50.06
O=C(CCC1=NN=N[N-]1)N1CC2(C1)OC(=O)NC21CCOCC1	REAL300020217689	1	40	-1.0	-49.11	321.22	-0.96	-50.07
CCOC(=O)C12CC(CNC(=O)CCC3=N[N-]N=N3)(C1)OC21CCOCC1	REAL300020217690	0	51	-1.0	-42.44	403.72	2.38	-40.06
CCOC(=O)C12CC(CNC(=O)CCC3=NN=N[N-]3)(C1)OC21CCOCC1	REAL300020217690	1	51	-1.0	-42.43	403.78	2.39	-40.04
CC(C)(C1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1)S(C)(=O)=O	REAL300020217691	0	41	-1.0	-49.35	340.31	1.69	-47.66
CC(C)(C1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1)S(C)(=O)=O	REAL300020217691	1	41	-1.0	-49.33	340.36	1.70	-47.63
O=C(CCC1=N[N-]N=N1)NC1=CC(Br)=C2OCCOC2=C1	REAL300020217692	0	32	-1.0	-42.06	296.36	2.40	-39.66
O=C(CCC1=NN=N[N-]1)NC1=CC(Br)=C2OCCOC2=C1	REAL300020217692	1	32	-1.0	-42.06	296.42	2.41	-39.65
O=C(CCC1=N[N-]N=N1)NCC1=CN2C=CC=C(Br)C2=N1	REAL300020217693	0	32	-1.0	-47.44	305.90	3.76	-43.68
O=C(CCC1=NN=N[N-]1)NCC1=CN2C=CC=C(Br)C2=N1	REAL300020217693	1	32	-1.0	-47.50	305.95	3.77	-43.73
CN(CC1=CN=C(N2C=CC=N2)S1)C(=O)CCC1=NN=N[N-]1	REAL300020217694	0	35	-1.0	-44.22	322.43	4.42	-39.80
CN(CC1=CN=C(N2C=CC=N2)S1)C(=O)CCC1=N[N-]N=N1	REAL300020217694	1	35	-1.0	-44.17	322.38	4.40	-39.77
O=C(CCC1=N[N-]N=N1)NCC1=CC=C(C(F)(F)F)C=C1Cl	REAL300020217695	0	32	-1.0	-39.32	310.72	4.11	-35.21
O=C(CCC1=NN=N[N-]1)NCC1=CC=C(C(F)(F)F)C=C1Cl	REAL300020217695	1	32	-1.0	-39.32	310.77	4.12	-35.20
O=C(CCC1=N[N-]N=N1)N1CC(S(=O)(=O)N2CCOCC2)C1	REAL300020217696	0	39	-1.0	-46.01	334.65	-1.05	-47.06
O=C(CCC1=NN=N[N-]1)N1CC(S(=O)(=O)N2CCOCC2)C1	REAL300020217696	1	39	-1.0	-46.02	334.71	-1.04	-47.06
CC(CCC1=CC=C(O)C=C1)N(C)C(=O)CCC1=N[N-]N=N1	REAL300020217697	0	42	-1.0	-41.49	344.83	4.33	-37.16
CC(CCC1=CC=C(O)C=C1)N(C)C(=O)CCC1=NN=N[N-]1	REAL300020217697	1	42	-1.0	-41.51	344.89	4.35	-37.16
CCOC(=O)C12CC(CNC(=O)CCC3=N[N-]N=N3)(C1)OC21CCC1	REAL300020217698	0	47	-1.0	-41.11	382.79	3.64	-37.47
CCOC(=O)C12CC(CNC(=O)CCC3=NN=N[N-]3)(C1)OC21CCC1	REAL300020217698	1	47	-1.0	-41.08	382.85	3.65	-37.43
CN(C(=O)OC(C)(C)C)C1CN(C(=O)CCC2=N[N-]N=N2)C1	REAL300020217699	0	43	-1.0	-42.24	345.61	4.00	-38.24
CN(C(=O)OC(C)(C)C)C1CN(C(=O)CCC2=NN=N[N-]2)C1	REAL300020217699	1	43	-1.0	-42.26	345.67	4.01	-38.25
O=C(CCC1=N[N-]N=N1)N1CC(C(=O)OCC2=CC=CC=C2)C1	REAL300020217700	0	39	-1.0	-42.16	342.15	5.92	-36.24
O=C(CCC1=NN=N[N-]1)N1CC(C(=O)OCC2=CC=CC=C2)C1	REAL300020217700	1	39	-1.0	-42.14	342.20	5.94	-36.20
CN1N=C(C(F)(F)F)C=C1C1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1	REAL300020217701	0	39	-1.0	-41.77	348.25	4.52	-37.25
CN1N=C(C(F)(F)F)C=C1C1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1	REAL300020217701	1	39	-1.0	-41.73	348.19	4.50	-37.23
NC(=O)C(F)(F)C1(O)CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300020217702	0	37	-1.0	-42.26	306.54	-1.61	-43.87
NC(=O)C(F)(F)C1(O)CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020217702	1	37	-1.0	-42.29	306.60	-1.60	-43.89
O=C(CCC1=NN=N[N-]1)N1CCC(N2N=CC3=CC=CC=C32)CC1	REAL300020217703	0	42	-1.0	-44.44	343.32	5.90	-38.54
O=C(CCC1=N[N-]N=N1)N1CCC(N2N=CC3=CC=CC=C32)CC1	REAL300020217703	1	42	-1.0	-44.44	343.26	5.89	-38.55
CN(CC1=CC=C(F)C(C(F)(F)F)=C1)C(=O)CCC1=N[N-]N=N1	REAL300020217704	0	35	-1.0	-44.80	319.03	5.86	-38.94
CN(CC1=CC=C(F)C(C(F)(F)F)=C1)C(=O)CCC1=NN=N[N-]1	REAL300020217704	1	35	-1.0	-44.79	319.09	5.87	-38.92
CC1=NC(C(NC(=O)CCC2=N[N-]N=N2)C2=CC=CC=C2)=NO1	REAL300020217705	0	37	-1.0	-43.52	328.04	2.13	-41.39
CC1=NC(C(NC(=O)CCC2=NN=N[N-]2)C2=CC=CC=C2)=NO1	REAL300020217705	1	37	-1.0	-43.51	328.10	2.15	-41.36
CN(C(=O)CCC1=N[N-]N=N1)C(CF)C1=CC=C(Br)C=C1	REAL300020217706	0	35	-1.0	-41.67	312.28	5.82	-35.85
CN(C(=O)CCC1=NN=N[N-]1)C(CF)C1=CC=C(Br)C=C1	REAL300020217706	1	35	-1.0	-41.66	312.34	5.83	-35.83
COC(=O)C1=C(C2CC2)C=C(NC(=O)CCC2=N[N-]N=N2)S1	REAL300020217707	0	36	-1.0	-40.55	322.13	4.36	-36.19
COC(=O)C1=C(C2CC2)C=C(NC(=O)CCC2=NN=N[N-]2)S1	REAL300020217707	1	36	-1.0	-40.53	322.19	4.38	-36.15
COC1=CC=CC(COC2CCN(C(=O)CCC3=N[N-]N=N3)C2)=C1	REAL300020217708	0	44	-1.0	-43.34	366.31	4.40	-38.94
COC1=CC=CC(COC2CCN(C(=O)CCC3=NN=N[N-]3)C2)=C1	REAL300020217708	1	44	-1.0	-43.35	366.36	4.41	-38.94
CC(C)(C)OC(=O)C(CC1CCCCC1)NC(=O)CCC1=N[N-]N=N1	REAL300020217709	0	53	-1.0	-43.01	408.13	6.90	-36.11
CC(C)(C)OC(=O)C(CC1CCCCC1)NC(=O)CCC1=NN=N[N-]1	REAL300020217709	1	53	-1.0	-43.00	408.19	6.92	-36.08
CC(C)C[C@H](CS(C)(=O)=O)NC(=O)CCC1=N[N-]N=N1	REAL300020217710	0	40	-1.0	-54.28	327.86	1.92	-52.36
CC(C)C[C@H](CS(C)(=O)=O)NC(=O)CCC1=NN=N[N-]1	REAL300020217710	1	40	-1.0	-54.31	327.92	1.94	-52.37
CN(C)CC1=NC2=CC(NC(=O)CCC3=N[N-]N=N3)=CC=C2N1	REAL300020217711	0	40	-1.0	-42.90	335.15	0.89	-42.01
CC(C)(C)COC1=CC=C2CN(C(=O)CCC3=N[N-]N=N3)CCC2=C1	REAL300020217712	0	49	-1.0	-39.94	385.79	7.31	-32.63
CC(C)(C)COC1=CC=C2CN(C(=O)CCC3=NN=N[N-]3)CCC2=C1	REAL300020217712	1	49	-1.0	-39.95	385.84	7.33	-32.62
C[C@@H]1CN(C(=O)CCC2=N[N-]N=N2)C[C@H](C2=CC=C(F)C=C2)O1	REAL300020217713	0	40	-1.0	-38.67	334.16	5.05	-33.62
C[C@@H]1CN(C(=O)CCC2=NN=N[N-]2)C[C@H](C2=CC=C(F)C=C2)O1	REAL300020217713	1	40	-1.0	-38.64	334.22	5.07	-33.57
CN(CC1=NN(C)C=C1Br)C(=O)CCC1=N[N-]N=N1	REAL300020217714	0	32	-1.0	-42.21	293.09	3.09	-39.12
CN(CC1=NN(C)C=C1Br)C(=O)CCC1=NN=N[N-]1	REAL300020217714	1	32	-1.0	-42.22	293.15	3.11	-39.11
O=C(CCC1=N[N-]N=N1)N1CCCC2=CC(OCC3=CC=CC=C3)=CC=C21	REAL300020217715	0	47	-1.0	-41.66	379.36	8.45	-33.21
O=C(CCC1=NN=N[N-]1)N1CCCC2=CC(OCC3=CC=CC=C3)=CC=C21	REAL300020217715	1	47	-1.0	-41.67	379.42	8.47	-33.20
O=C(CCC1=N[N-]N=N1)NC1CCCC=C1Br	REAL300020217716	0	30	-1.0	-41.38	266.55	2.81	-38.57
O=C(CCC1=NN=N[N-]1)NC1CCCC=C1Br	REAL300020217716	1	30	-1.0	-41.36	266.60	2.82	-38.54
O=C(CCC1=NN=N[N-]1)NC1=NC2=CC3=C(C=C2S1)OCO3	REAL300020217717	0	31	-1.0	-39.37	289.49	1.78	-37.59
O=C(CCC1=N[N-]N=N1)NC1=NC2=CC3=C(C=C2S1)OCO3	REAL300020217717	1	31	-1.0	-39.38	289.43	1.77	-37.61
O=C(CCC1=N[N-]N=N1)NC1=CC=C2NC(=O)C(F)(F)C2=C1	REAL300020217718	0	31	-1.0	-47.05	286.38	1.17	-45.88
O=C(CCC1=NN=N[N-]1)NC1=CC=C2NC(=O)C(F)(F)C2=C1	REAL300020217718	1	31	-1.0	-47.08	286.44	1.18	-45.90
O=C(CCC1=N[N-]N=N1)NC1=C(F)C=C2NN=C(Cl)C2=C1	REAL300020217719	0	29	-1.0	-39.88	281.18	1.81	-38.07
O=C(CCC1=NN=N[N-]1)NC1=C(F)C=C2NN=C(Cl)C2=C1	REAL300020217719	1	29	-1.0	-39.84	281.23	1.82	-38.02
CC1=CC=C(C2=CNC(CNC(=O)CCC3=N[N-]N=N3)=N2)C=C1	REAL300020217720	0	39	-1.0	-44.77	337.91	3.66	-41.11
CC1=CC=C(C2=CNC(CNC(=O)CCC3=NN=N[N-]3)=N2)C=C1	REAL300020217720	1	39	-1.0	-44.75	337.96	3.67	-41.08
CC(C)(C)OC(=O)N1CCC2(C1)CN(C(=O)CCC1=N[N-]N=N1)CCO2	REAL300020217721	0	51	-1.0	-46.50	393.12	3.34	-43.16
CC(C)(C)OC(=O)N1CCC2(C1)CN(C(=O)CCC1=NN=N[N-]1)CCO2	REAL300020217721	1	51	-1.0	-46.52	393.18	3.36	-43.16
CCOC(=O)C1=C(NC(=O)CCC2=N[N-]N=N2)SC(OC)=C1C	REAL300020217722	0	39	-1.0	-39.80	351.14	3.45	-36.35
CCOC(=O)C1=C(NC(=O)CCC2=NN=N[N-]2)SC(OC)=C1C	REAL300020217722	1	39	-1.0	-39.73	351.20	3.45	-36.28
CN(C(=O)CCC1=N[N-]N=N1)C1=CC=CC=C1CNC(=O)OC(C)(C)C	REAL300020217723	0	49	-1.0	-43.31	397.38	5.22	-38.09
CN(C(=O)CCC1=NN=N[N-]1)C1=CC=CC=C1CNC(=O)OC(C)(C)C	REAL300020217723	1	49	-1.0	-43.25	397.44	5.24	-38.01
CCOC(=O)C(F)(F)C1(O)CCN(C(=O)CCC2=N[N-]N=N2)C1	REAL300020217724	0	39	-1.0	-40.76	333.35	1.38	-39.38
CCOC(=O)C(F)(F)C1(O)CCN(C(=O)CCC2=NN=N[N-]2)C1	REAL300020217724	1	39	-1.0	-40.76	333.41	1.39	-39.37
CCOC(=O)C(F)(F)C1(O)CCCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300020217725	0	45	-1.0	-41.27	359.76	4.09	-37.18
CCOC(=O)C(F)(F)C1(O)CCCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020217725	1	45	-1.0	-41.24	359.82	4.10	-37.14
CC1C2=NN=C(C(F)(F)F)N2CCN1C(=O)CCC1=N[N-]N=N1	REAL300020217726	0	35	-1.0	-40.47	302.45	3.93	-36.54
CC1C2=NN=C(C(F)(F)F)N2CCN1C(=O)CCC1=NN=N[N-]1	REAL300020217726	1	35	-1.0	-40.47	302.51	3.94	-36.53
O=C(CCC1=N[N-]N=N1)N1CCC(C2(C(F)(F)F)N=N2)CC1	REAL300020217727	0	35	-1.0	-39.54	301.86	-0.56	-40.10
O=C(CCC1=NN=N[N-]1)N1CCC(C2(C(F)(F)F)N=N2)CC1	REAL300020217727	1	35	-1.0	-39.51	301.92	-0.55	-40.06
COC1=CC=C(C2=CC=CN=C2)C=C1NC(=O)CCC1=NN=N[N-]1	REAL300020217728	0	39	-1.0	-46.48	328.70	3.67	-42.81
COC1=CC=C(C2=CC=CN=C2)C=C1NC(=O)CCC1=N[N-]N=N1	REAL300020217728	1	39	-1.0	-46.49	328.64	3.66	-42.83
COC(=O)C1C2=CN(C)N=C2CN1C(=O)CCC1=N[N-]N=N1	REAL300020217729	0	36	-1.0	-48.60	314.95	3.47	-45.13
COC(=O)C1C2=CN(C)N=C2CN1C(=O)CCC1=NN=N[N-]1	REAL300020217729	1	36	-1.0	-48.58	315.01	3.48	-45.10
COC(=O)C1CC2(CCCC2)CN1C(=O)CCC1=N[N-]N=N1	REAL300020217730	0	42	-1.0	-44.45	334.47	5.15	-39.30
COC(=O)C1CC2(CCCC2)CN1C(=O)CCC1=NN=N[N-]1	REAL300020217730	1	42	-1.0	-44.41	334.52	5.17	-39.24
COC(=O)[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)CCC1=N[N-]N=N1	REAL300020217731	0	42	-1.0	-44.51	331.31	5.11	-39.40
COC(=O)[C@H]1[C@@H]2CCCC[C@@H]2CN1C(=O)CCC1=NN=N[N-]1	REAL300020217731	1	42	-1.0	-44.53	331.37	5.12	-39.41
O=C(CCC1=N[N-]N=N1)NC1=CC=C(C2CCC(=O)N2)C=C1	REAL300020217732	0	37	-1.0	-43.90	315.09	2.10	-41.80
O=C(CCC1=NN=N[N-]1)NC1=CC=C(C2CCC(=O)N2)C=C1	REAL300020217732	1	37	-1.0	-43.94	315.15	2.11	-41.83
O=C(CCC1=N[N-]N=N1)NC1CCCCCC1C1=CC=CC=C1	REAL300020217733	0	45	-1.0	-40.14	343.68	7.17	-32.97
O=C(CCC1=NN=N[N-]1)NC1CCCCCC1C1=CC=CC=C1	REAL300020217733	1	45	-1.0	-40.14	343.74	7.19	-32.95
O=C(CCC1=N[N-]N=N1)N[C@H]1CC2(CCCC2)OC2=CC=C(Cl)C=C21	REAL300020217734	0	44	-1.0	-41.34	360.69	5.65	-35.69
O=C(CCC1=NN=N[N-]1)N[C@H]1CC2(CCCC2)OC2=CC=C(Cl)C=C21	REAL300020217734	1	44	-1.0	-41.33	360.74	5.67	-35.66
CCOC(=O)C(CC1=CC=C(OC)C=C1)NC(=O)CCC1=N[N-]N=N1	REAL300020217735	0	45	-1.0	-46.27	382.57	4.89	-41.38
CCOC(=O)C(CC1=CC=C(OC)C=C1)NC(=O)CCC1=NN=N[N-]1	REAL300020217735	1	45	-1.0	-46.29	382.62	4.91	-41.38
O=C(CCC1=N[N-]N=N1)N[C@@H]1CC2(CCCC2)OC2=CC=C(Cl)C=C21	REAL300020217736	0	44	-1.0	-38.10	364.67	6.44	-31.66
O=C(CCC1=NN=N[N-]1)N[C@@H]1CC2(CCCC2)OC2=CC=C(Cl)C=C21	REAL300020217736	1	44	-1.0	-38.08	364.73	6.45	-31.63
CCOC(=O)C(CC1=CC=C(C#N)C=C1)NC(=O)CCC1=N[N-]N=N1	REAL300020217737	0	42	-1.0	-48.15	373.90	5.99	-42.16
CCOC(=O)C(CC1=CC=C(C#N)C=C1)NC(=O)CCC1=NN=N[N-]1	REAL300020217737	1	42	-1.0	-48.15	373.95	6.01	-42.14
CC(C)(C)OC(=O)[C@H](CC1CCCCC1)NC(=O)CCC1=N[N-]N=N1	REAL300020217738	0	53	-1.0	-43.02	408.08	6.89	-36.13
CC(C)(C)OC(=O)[C@H](CC1CCCCC1)NC(=O)CCC1=NN=N[N-]1	REAL300020217738	1	53	-1.0	-42.98	408.13	6.92	-36.06
CC(C)(C)OC(=O)[C@@H](CC1CCCCC1)NC(=O)CCC1=N[N-]N=N1	REAL300020217739	0	53	-1.0	-42.96	408.12	6.91	-36.05
CC(C)(C)OC(=O)[C@@H](CC1CCCCC1)NC(=O)CCC1=NN=N[N-]1	REAL300020217739	1	53	-1.0	-42.97	408.18	6.93	-36.04
COC(=O)C[C@H](COCC1=CC=CC=C1)NC(=O)CCC1=N[N-]N=N1	REAL300020217740	0	45	-1.0	-45.99	386.79	4.77	-41.22
COC(=O)C[C@H](COCC1=CC=CC=C1)NC(=O)CCC1=NN=N[N-]1	REAL300020217740	1	45	-1.0	-45.99	386.84	4.79	-41.20
CC1=CC(N)=[NH+]C=C1C1CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300020217741	0	44	0.0	-57.50	343.27	4.27	-53.23
CC1=CC(N)=[NH+]C=C1C1CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020217741	1	44	0.0	-57.51	343.32	4.28	-53.23
CC1=CC(N)=NC=C1C1CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300020217741	1	43	-1.0	-43.27	340.09	3.78	-39.49
CC1=CC(N)=NC=C1C1CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020217741	1	43	-1.0	-43.30	340.15	3.80	-39.50
CC1=NN=C([C@H]2C[C@@H](C)N(C(=O)CCC3=N[N-]N=N3)[C@@H](C)C2)O1	REAL300020217742	0	43	-1.0	-45.73	332.96	0.17	-45.56
CC1=NN=C([C@H]2C[C@@H](C)N(C(=O)CCC3=NN=N[N-]3)[C@@H](C)C2)O1	REAL300020217742	1	43	-1.0	-45.77	333.02	0.18	-45.59
CCC1=CC=C(C(=O)OC)C=C1NC(=O)CCC1=N[N-]N=N1	REAL300020217743	0	38	-1.0	-46.89	324.26	4.85	-42.04
CCC1=CC=C(C(=O)OC)C=C1NC(=O)CCC1=NN=N[N-]1	REAL300020217743	1	38	-1.0	-46.85	324.32	4.87	-41.98
O=C(CCC1=NN=N[N-]1)NC1=NC=CC2=CC=C(Br)C=C21	REAL300020217744	0	31	-1.0	-43.53	292.03	5.25	-38.28
O=C(CCC1=N[N-]N=N1)NC1=NC=CC2=CC=C(Br)C=C21	REAL300020217744	1	31	-1.0	-43.51	291.97	5.23	-38.28
O=C(CCC1=N[N-]N=N1)NC1=CC=C(C2=NNC(=O)CO2)C=C1	REAL300020217745	0	35	-1.0	-43.37	310.94	-1.28	-44.65
O=C(CCC1=NN=N[N-]1)NC1=CC=C(C2=NNC(=O)CO2)C=C1	REAL300020217745	1	35	-1.0	-43.35	310.99	-1.26	-44.61
O=C(CCC1=N[N-]N=N1)N(CCCO)C1CCCC2=CC=CC=C21	REAL300020217746	0	46	-1.0	-43.53	362.36	5.13	-38.40
O=C(CCC1=NN=N[N-]1)N(CCCO)C1CCCC2=CC=CC=C21	REAL300020217746	1	46	-1.0	-43.54	362.41	5.14	-38.40
CC(C)(C)OC(=O)N1CC2(C1)SCCN2C(=O)CCC1=N[N-]N=N1	REAL300020217747	0	45	-1.0	-46.27	367.80	5.09	-41.18
CC(C)(C)OC(=O)N1CC2(C1)SCCN2C(=O)CCC1=NN=N[N-]1	REAL300020217747	1	45	-1.0	-46.21	367.86	5.10	-41.11
O=C(CCC1=N[N-]N=N1)N1CCN2C(=NN=C2C2=CC=CN=C2)C1	REAL300020217748	0	38	-1.0	-47.17	318.84	4.19	-42.98
O=C(CCC1=NN=N[N-]1)N1CCN2C(=NN=C2C2=CC=CN=C2)C1	REAL300020217748	1	38	-1.0	-47.19	318.89	4.21	-42.98
CC(NC(=O)CNC(=O)CCC1=N[N-]N=N1)C1=CC=CC=N1	REAL300020217749	0	38	-1.0	-42.56	330.44	0.45	-42.11
CC(NC(=O)CNC(=O)CCC1=NN=N[N-]1)C1=CC=CC=N1	REAL300020217749	1	38	-1.0	-42.57	330.50	0.46	-42.11
O=C(CCC1=N[N-]N=N1)NC1=CC(Br)=CC(C(F)(F)F)=C1[O-]	REAL300020217750	0	29	-2.0	-79.68	297.00	2.30	-77.38
O=C(CCC1=NN=N[N-]1)NC1=CC(Br)=CC(C(F)(F)F)=C1[O-]	REAL300020217750	1	29	-2.0	-79.67	297.06	2.32	-77.35
O=C(CCC1=N[N-]N=N1)NC1=CC(Br)=CC(C(F)(F)F)=C1O	REAL300020217750	1	30	-1.0	-37.64	300.57	1.54	-36.10
O=C(CCC1=NN=N[N-]1)NC1=CC(Br)=CC(C(F)(F)F)=C1O	REAL300020217750	1	30	-1.0	-37.64	300.63	1.56	-36.08
CC1CN(C(=O)CCC2=NN=N[N-]2)CCN1C1=CC=NC=C1F	REAL300020217751	0	40	-1.0	-39.36	328.05	2.75	-36.61
CC1CN(C(=O)CCC2=N[N-]N=N2)CCN1C1=CC=NC=C1F	REAL300020217751	1	40	-1.0	-39.33	327.99	2.73	-36.60
O=C(CCC1=N[N-]N=N1)NNC1=CC=CC(C2=CC=CN=C2)=N1	REAL300020217752	0	36	-1.0	-42.23	317.55	3.34	-38.89
O=C(CCC1=NN=N[N-]1)NNC1=CC=CC(C2=CC=CN=C2)=N1	REAL300020217752	1	36	-1.0	-42.26	317.61	3.35	-38.91
O=C(CCC1=N[N-]N=N1)NNC1=CC=CC(Br)=C1Cl	REAL300020217753	0	28	-1.0	-39.63	282.18	3.32	-36.31
O=C(CCC1=NN=N[N-]1)NNC1=CC=CC(Br)=C1Cl	REAL300020217753	1	28	-1.0	-39.62	282.24	3.33	-36.29
O=C(CCC1=N[N-]N=N1)N[C@H](C1=CC=C(Br)C=C1)C(F)F	REAL300020217754	0	32	-1.0	-37.56	307.24	4.34	-33.22
O=C(CCC1=NN=N[N-]1)N[C@H](C1=CC=C(Br)C=C1)C(F)F	REAL300020217754	1	32	-1.0	-37.59	307.30	4.36	-33.23
O=C(CCC1=N[N-]N=N1)N[C@@H](C1=CC=C(Br)C=C1)C(F)F	REAL300020217755	0	32	-1.0	-40.93	305.20	4.42	-36.51
O=C(CCC1=NN=N[N-]1)N[C@@H](C1=CC=C(Br)C=C1)C(F)F	REAL300020217755	1	32	-1.0	-40.94	305.26	4.44	-36.50
C[N@@H+]1CC[C@@H](NC(=O)CCC2=N[N-]N=N2)[C@@H]1C1=CC=C(F)C=C1	REAL300020217756	0	42	0.0	-67.31	335.34	4.48	-62.83
C[N@H+]1CC[C@@H](NC(=O)CCC2=N[N-]N=N2)[C@@H]1C1=CC=C(F)C=C1	REAL300020217756	1	42	0.0	-66.76	343.13	5.25	-61.51
C[N@@H+]1CC[C@@H](NC(=O)CCC2=NN=N[N-]2)[C@@H]1C1=CC=C(F)C=C1	REAL300020217756	1	42	0.0	-67.36	335.40	4.50	-62.86
C[N@H+]1CC[C@@H](NC(=O)CCC2=NN=N[N-]2)[C@@H]1C1=CC=C(F)C=C1	REAL300020217756	1	42	0.0	-66.74	343.18	5.27	-61.47
CN1CC[C@@H](NC(=O)CCC2=N[N-]N=N2)[C@@H]1C1=CC=C(F)C=C1	REAL300020217756	1	41	-1.0	-39.57	343.11	3.30	-36.27
CN1CC[C@@H](NC(=O)CCC2=NN=N[N-]2)[C@@H]1C1=CC=C(F)C=C1	REAL300020217756	1	41	-1.0	-39.58	343.16	3.32	-36.26
O=C(CCC1=N[N-]N=N1)NC1=C(O)C=CC(Br)=C1F	REAL300020217757	0	27	-1.0	-44.31	273.65	0.53	-43.78
O=C(CCC1=NN=N[N-]1)NC1=C(O)C=CC(Br)=C1F	REAL300020217757	1	27	-1.0	-44.34	273.71	0.54	-43.80
O=C(CCC1=N[N-]N=N1)NC1=C([O-])C=CC(Br)=C1F	REAL300020217757	1	26	-2.0	-88.55	270.08	1.30	-87.25
O=C(CCC1=NN=N[N-]1)NC1=C([O-])C=CC(Br)=C1F	REAL300020217757	1	26	-2.0	-88.50	270.14	1.31	-87.19
CC(NC(=O)CCC1=N[N-]N=N1)C1(O)CN(C(=O)OC(C)(C)C)C1	REAL300020217758	0	47	-1.0	-42.63	382.72	-0.46	-43.09
CC(NC(=O)CCC1=NN=N[N-]1)C1(O)CN(C(=O)OC(C)(C)C)C1	REAL300020217758	1	47	-1.0	-42.54	382.77	-0.44	-42.98
O=C(CCC1=N[N-]N=N1)N1CCC(O)(CC2=NNC=C2)CC1	REAL300020217759	0	40	-1.0	-41.96	319.63	0.73	-41.23
O=C(CCC1=NN=N[N-]1)N1CCC(O)(CC2=NNC=C2)CC1	REAL300020217759	1	40	-1.0	-41.94	319.69	0.75	-41.19
COC(=O)[C@H](CNC(=O)C1=CC=C(Cl)S1)NC(=O)CCC1=N[N-]N=N1	REAL300020217760	0	39	-1.0	-43.99	377.27	2.08	-41.91
COC(=O)[C@H](CNC(=O)C1=CC=C(Cl)S1)NC(=O)CCC1=NN=N[N-]1	REAL300020217760	1	39	-1.0	-44.06	377.33	2.09	-41.97
O=C(CCC1=N[N-]N=N1)N1CCOC(CN2C=C(CO)N=N2)C1	REAL300020217761	0	40	-1.0	-47.40	336.13	-1.78	-49.18
O=C(CCC1=NN=N[N-]1)N1CCOC(CN2C=C(CO)N=N2)C1	REAL300020217761	1	40	-1.0	-47.41	336.18	-1.77	-49.18
NC(=O)C(F)(F)C1(O)CCN(C(=O)CCC2=N[N-]N=N2)C1	REAL300020217762	0	34	-1.0	-47.09	295.96	-3.62	-50.71
NC(=O)C(F)(F)C1(O)CCN(C(=O)CCC2=NN=N[N-]2)C1	REAL300020217762	1	34	-1.0	-47.09	296.01	-3.60	-50.69
CC1=NN=C(CN2CCN(C(=O)CCC3=N[N-]N=N3)CC2)S1	REAL300020217763	0	39	-1.0	-44.90	331.09	1.02	-43.88
CC1=NN=C(CN2CCN(C(=O)CCC3=NN=N[N-]3)CC2)S1	REAL300020217763	1	39	-1.0	-44.92	331.15	1.03	-43.89
COC1=CC=C(C[N@H+](C)CCNC(=O)CCC2=N[N-]N=N2)C=C1	REAL300020217764	0	45	0.0	-67.88	361.78	3.85	-64.03
COC1=CC=C(C[N@@H+](C)CCNC(=O)CCC2=N[N-]N=N2)C=C1	REAL300020217764	1	45	0.0	-67.96	361.84	3.86	-64.10
COC1=CC=C(C[N@H+](C)CCNC(=O)CCC2=NN=N[N-]2)C=C1	REAL300020217764	1	45	0.0	-67.88	361.84	3.87	-64.01
COC1=CC=C(C[N@@H+](C)CCNC(=O)CCC2=NN=N[N-]2)C=C1	REAL300020217764	1	45	0.0	-68.04	361.90	3.88	-64.16
CN1C=C(NC(=O)CCC2=N[N-]N=N2)C(C2=CC=NN2C)=N1	REAL300020217765	0	36	-1.0	-41.53	316.23	1.51	-40.02
CN1C=C(NC(=O)CCC2=NN=N[N-]2)C(C2=CC=NN2C)=N1	REAL300020217765	1	36	-1.0	-41.55	316.28	1.52	-40.03
CCOC(=O)CC(NC(=O)CCC1=N[N-]N=N1)C1=NC=CS1	REAL300020217766	0	37	-1.0	-44.90	338.98	2.61	-42.29
CCOC(=O)CC(NC(=O)CCC1=NN=N[N-]1)C1=NC=CS1	REAL300020217766	1	37	-1.0	-44.84	339.04	2.62	-42.22
CC(C)(C)OC(=O)N1CC(C2=C(CNC(=O)CCC3=N[N-]N=N3)N=CO2)C1	REAL300020217767	0	49	-1.0	-47.55	408.02	0.43	-47.12
CC(C)(C)OC(=O)N1CC(C2=C(CNC(=O)CCC3=NN=N[N-]3)N=CO2)C1	REAL300020217767	1	49	-1.0	-47.58	408.08	0.44	-47.14
O=C(CCC1=N[N-]N=N1)NC1CN(C2=NC3=CC=CC=C3N2)C1	REAL300020217768	0	38	-1.0	-42.38	323.79	2.06	-40.32
O=C(CCC1=NN=N[N-]1)NC1CN(C2=NC3=CC=CC=C3N2)C1	REAL300020217768	1	38	-1.0	-42.39	323.85	2.07	-40.32
COC(=O)C(CC1=CN(C)N=C1C)NC(=O)CCC1=N[N-]N=N1	REAL300020217769	0	41	-1.0	-47.99	356.91	2.91	-45.08
COC(=O)C(CC1=CN(C)N=C1C)NC(=O)CCC1=NN=N[N-]1	REAL300020217769	1	41	-1.0	-47.98	356.96	2.92	-45.06
C[C@@H]1[C@@H](NC(=O)CCC2=N[N-]N=N2)CC2(CCC2)C[N@@H+]1CC1=CC=CC=C1	REAL300020217770	0	55	0.0	-63.28	401.62	8.66	-54.62
C[C@@H]1[C@@H](NC(=O)CCC2=N[N-]N=N2)CC2(CCC2)C[N@H+]1CC1=CC=CC=C1	REAL300020217770	1	55	0.0	-63.16	414.63	8.17	-54.99
C[C@@H]1[C@@H](NC(=O)CCC2=NN=N[N-]2)CC2(CCC2)C[N@@H+]1CC1=CC=CC=C1	REAL300020217770	1	55	0.0	-63.29	401.68	8.68	-54.61
C[C@@H]1[C@@H](NC(=O)CCC2=NN=N[N-]2)CC2(CCC2)C[N@H+]1CC1=CC=CC=C1	REAL300020217770	1	55	0.0	-63.19	414.69	8.19	-55.00
COCCCCN(CC1=CC=CC(O)=C1)C(=O)CCC1=N[N-]N=N1	REAL300020217771	0	46	-1.0	-46.18	377.44	3.27	-42.91
COCCCCN(CC1=CC=CC(O)=C1)C(=O)CCC1=NN=N[N-]1	REAL300020217771	1	46	-1.0	-46.19	377.50	3.29	-42.90
CCOCCN(CC1=CC=CC(O)=C1)C(=O)CCC1=N[N-]N=N1	REAL300020217772	0	43	-1.0	-48.65	353.64	3.47	-45.18
CCOCCN(CC1=CC=CC(O)=C1)C(=O)CCC1=NN=N[N-]1	REAL300020217772	1	43	-1.0	-48.65	353.69	3.49	-45.16
C=CCOC(=O)N1CCCC(NC(=O)CCC2=N[N-]N=N2)C1	REAL300020217773	0	41	-1.0	-48.11	342.57	2.54	-45.57
C=CCOC(=O)N1CCCC(NC(=O)CCC2=NN=N[N-]2)C1	REAL300020217773	1	41	-1.0	-48.13	342.63	2.56	-45.57
NC1=NC=C(Br)C=C1CNC(=O)CCC1=N[N-]N=N1	REAL300020217774	0	30	-1.0	-38.58	285.78	0.34	-38.24
NC1=NC=C(Br)C=C1CNC(=O)CCC1=NN=N[N-]1	REAL300020217774	1	30	-1.0	-38.58	285.84	0.35	-38.23
CC(C)N1C(=O)C[C@H](NC(=O)CCC2=N[N-]N=N2)[C@H]1C1=CC=C(Cl)C(F)=C1	REAL300020217775	0	46	-1.0	-45.20	396.93	5.78	-39.42
CC(C)N1C(=O)C[C@H](NC(=O)CCC2=NN=N[N-]2)[C@H]1C1=CC=C(Cl)C(F)=C1	REAL300020217775	1	46	-1.0	-45.24	396.99	5.80	-39.44
NC1=CC=C(CC2CCN(C(=O)CCC3=N[N-]N=N3)CC2)C=N1	REAL300020217776	0	43	-1.0	-41.91	343.53	4.01	-37.90
NC1=CC=C(CC2CCN(C(=O)CCC3=NN=N[N-]3)CC2)C=N1	REAL300020217776	1	43	-1.0	-41.89	343.58	4.03	-37.86
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CC(C)(C)OC(=O)N1CC2(C1)CCN(C(=O)CCC1=NN=N[N-]1)C2	REAL300020217778	1	47	-1.0	-46.94	376.71	4.09	-42.85
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CCN(C(=O)OC(C)(C)C)C1CN(C(=O)CCC2=NN=N[N-]2)C1	REAL300020217779	1	46	-1.0	-43.04	364.83	4.00	-39.04
COC1=CC=C(C2=CNC(CNC(=O)CCC3=N[N-]N=N3)=N2)C=C1	REAL300020217780	0	40	-1.0	-46.00	345.96	2.27	-43.73
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CC(C)(C)OC(=O)N1CC2(C1)CCCC2NC(=O)CCC1=N[N-]N=N1	REAL300020217786	0	50	-1.0	-43.55	394.86	4.05	-39.50
CC(C)(C)OC(=O)N1CC2(C1)CCCC2NC(=O)CCC1=NN=N[N-]1	REAL300020217786	1	50	-1.0	-43.61	394.92	4.06	-39.55
CN(CC1=CN(C2=CC=CC=C2)N=C1)C(=O)CCC1=NN=N[N-]1	REAL300020217787	0	39	-1.0	-44.21	334.57	6.04	-38.17
CN(CC1=CN(C2=CC=CC=C2)N=C1)C(=O)CCC1=N[N-]N=N1	REAL300020217787	1	39	-1.0	-44.18	334.51	6.03	-38.15
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CN(CC1=NC2=C(CCCC2)N1C)C(=O)CCC1=NN=N[N-]1	REAL300020217788	1	42	-1.0	-40.79	332.45	5.46	-35.33
CCOC(=O)C1(F)CN(C(=O)CCC2=N[N-]N=N2)CC1(C)C(F)(F)F	REAL300020217789	0	41	-1.0	-38.77	347.12	4.87	-33.90
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CCOC(=O)[C@H]1CC[C@H](CNC(=O)CCC2=NN=N[N-]2)CC1	REAL300020217795	1	44	-1.0	-41.77	356.26	4.68	-37.09
CN1N=CC=C1[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)CCC1=N[N-]N=N1	REAL300020217796	0	52	0.0	-73.48	416.09	6.17	-67.31
CN1N=CC=C1[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)CCC1=N[N-]N=N1	REAL300020217796	1	52	0.0	-73.41	416.59	6.09	-67.32
CN1N=CC=C1[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)CCC1=NN=N[N-]1	REAL300020217796	1	52	0.0	-73.53	416.15	6.18	-67.35
CN1N=CC=C1[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1NC(=O)CCC1=NN=N[N-]1	REAL300020217796	1	52	0.0	-73.46	416.65	6.10	-67.36
CN1N=CC=C1[C@@H]1CCCC[C@@H]1NC(=O)CCC1=N[N-]N=N1	REAL300020217797	0	42	-1.0	-43.82	329.37	4.67	-39.15
CN1N=CC=C1[C@@H]1CCCC[C@@H]1NC(=O)CCC1=NN=N[N-]1	REAL300020217797	1	42	-1.0	-43.82	329.43	4.68	-39.14
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O=C(CCC1=NN=N[N-]1)NCC1=CC(Cl)=CC=C1Cl	REAL300020217800	1	29	-1.0	-38.83	288.77	3.64	-35.19
CC(C)(C)OC(=O)NCC1CN(C(=O)CCC2=N[N-]N=N2)CC1(C)C	REAL300020217801	0	52	-1.0	-42.40	401.44	3.34	-39.06
CC(C)(C)OC(=O)NCC1CN(C(=O)CCC2=NN=N[N-]2)CC1(C)C	REAL300020217801	1	52	-1.0	-42.40	401.50	3.35	-39.05
C=CCN(CC1=CC=C(Cl)C=C1)C(=O)CCC1=N[N-]N=N1	REAL300020217802	0	36	-1.0	-40.45	325.46	6.84	-33.61
C=CCN(CC1=CC=C(Cl)C=C1)C(=O)CCC1=NN=N[N-]1	REAL300020217802	1	36	-1.0	-40.44	325.52	6.85	-33.59
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CN1N=CC=C1[C@@H]1CN(C(=O)CCC2=N[N-]N=N2)C[C@H]1NC(=O)OC(C)(C)C	REAL300020217804	0	53	-1.0	-44.70	424.14	2.96	-41.74
CN1N=CC=C1[C@@H]1CN(C(=O)CCC2=NN=N[N-]2)C[C@H]1NC(=O)OC(C)(C)C	REAL300020217804	1	53	-1.0	-44.71	424.20	2.98	-41.73
COC1=CC=C(CCNC(=O)CCC2=N[N-]N=N2)C2=CC=CC=C12	REAL300020217805	0	42	-1.0	-43.10	349.91	4.94	-38.16
COC1=CC=C(CCNC(=O)CCC2=NN=N[N-]2)C2=CC=CC=C12	REAL300020217805	1	42	-1.0	-43.11	349.97	4.95	-38.16
CN(CC1=CC=CC(CNC(=O)CCC2=N[N-]N=N2)=C1)C(=O)OC(C)(C)C	REAL300020217806	0	52	-1.0	-42.30	424.49	5.71	-36.59
CN(CC1=CC=CC(CNC(=O)CCC2=NN=N[N-]2)=C1)C(=O)OC(C)(C)C	REAL300020217806	1	52	-1.0	-42.31	424.55	5.72	-36.59
N#CC(NC(=O)CCC1=N[N-]N=N1)C1=CC=C(C(F)(F)F)C=C1	REAL300020217807	0	33	-1.0	-42.10	313.13	4.20	-37.90
N#CC(NC(=O)CCC1=NN=N[N-]1)C1=CC=C(C(F)(F)F)C=C1	REAL300020217807	1	33	-1.0	-42.11	313.19	4.21	-37.90
O=C(CCC1=N[N-]N=N1)NCC1CC(C2=CC=C(Cl)C=C2)C1	REAL300020217808	0	39	-1.0	-40.23	339.63	5.76	-34.47
O=C(CCC1=NN=N[N-]1)NCC1CC(C2=CC=C(Cl)C=C2)C1	REAL300020217808	1	39	-1.0	-40.23	339.69	5.77	-34.46
O=C(CCC1=N[N-]N=N1)N1CCC(S(=O)(=O)C2CCCCC2)CC1	REAL300020217809	0	48	-1.0	-49.50	375.00	3.59	-45.91
O=C(CCC1=NN=N[N-]1)N1CCC(S(=O)(=O)C2CCCCC2)CC1	REAL300020217809	1	48	-1.0	-49.49	375.06	3.61	-45.88
O=C(CCC1=N[N-]N=N1)N1CCC2=CC=C(Br)C(Cl)=C2C1	REAL300020217810	0	33	-1.0	-40.87	307.77	5.95	-34.92
O=C(CCC1=NN=N[N-]1)N1CCC2=CC=C(Br)C(Cl)=C2C1	REAL300020217810	1	33	-1.0	-40.90	307.83	5.97	-34.93
O=C(CCC1=NN=N[N-]1)NCC1=NOC(C2=CC=C3OCCOC3=C2)=C1	REAL300020217811	0	41	-1.0	-44.21	357.09	2.94	-41.27
O=C(CCC1=N[N-]N=N1)NCC1=NOC(C2=CC=C3OCCOC3=C2)=C1	REAL300020217811	1	41	-1.0	-44.20	357.03	2.93	-41.27
COC(=O)C[C@@H](COCC1=CC=CC=C1)NC(=O)CCC1=N[N-]N=N1	REAL300020217812	0	45	-1.0	-46.02	386.94	4.68	-41.34
COC(=O)C[C@@H](COCC1=CC=CC=C1)NC(=O)CCC1=NN=N[N-]1	REAL300020217812	1	45	-1.0	-45.97	386.99	4.69	-41.28
COC(=O)C1=CC=C(C2(CNC(=O)CCC3=N[N-]N=N3)CC2)C=C1	REAL300020217813	0	42	-1.0	-44.34	355.72	5.18	-39.16
COC(=O)C1=CC=C(C2(CNC(=O)CCC3=NN=N[N-]3)CC2)C=C1	REAL300020217813	1	42	-1.0	-44.33	355.78	5.19	-39.14
COC(=O)[C@@H]1C[C@H](NC(=O)CCC2=N[N-]N=N2)CN1C(=O)OC(C)(C)C	REAL300020217814	0	49	-1.0	-46.72	397.74	3.27	-43.45
COC(=O)[C@@H]1C[C@H](NC(=O)CCC2=NN=N[N-]2)CN1C(=O)OC(C)(C)C	REAL300020217814	1	49	-1.0	-46.69	397.79	3.28	-43.41
CC(C)(C)OC(=O)N1CC2CCCC1C2CNC(=O)CCC1=N[N-]N=N1	REAL300020217815	0	53	-1.0	-42.80	396.89	4.73	-38.07
CC(C)(C)OC(=O)N1CC2CCCC1C2CNC(=O)CCC1=NN=N[N-]1	REAL300020217815	1	53	-1.0	-42.78	396.95	4.74	-38.04
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CC(CC1=CC=CC=C1)(NC(=O)CCC1=N[N-]N=N1)C(N)=O	REAL300020217817	0	39	-1.0	-45.56	321.93	0.71	-44.85
CC(CC1=CC=CC=C1)(NC(=O)CCC1=NN=N[N-]1)C(N)=O	REAL300020217817	1	39	-1.0	-45.55	321.99	0.72	-44.83
CC(C)(C)OC(=O)NCCCCC1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1	REAL300020217818	0	55	-1.0	-45.26	443.90	5.35	-39.91
CC(C)(C)OC(=O)NCCCCC1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1	REAL300020217818	1	55	-1.0	-45.27	443.95	5.37	-39.90
CC(C)(C)OC(=O)N1CCC2(CC(NC(=O)CCC3=N[N-]N=N3)C2)CC1	REAL300020217819	0	53	-1.0	-43.72	406.99	4.71	-39.01
CC(C)(C)OC(=O)N1CCC2(CC(NC(=O)CCC3=NN=N[N-]3)C2)CC1	REAL300020217819	1	53	-1.0	-43.76	407.05	4.73	-39.03
O=C(CCC1=N[N-]N=N1)NC(C1=CC=C(Cl)C=C1)C1=CC=CC=C1F	REAL300020217820	0	39	-1.0	-40.68	354.84	7.55	-33.13
O=C(CCC1=NN=N[N-]1)NC(C1=CC=C(Cl)C=C1)C1=CC=CC=C1F	REAL300020217820	1	39	-1.0	-40.66	354.90	7.57	-33.09
CC1=CC(CN(C)C(=O)CCC2=N[N-]N=N2)=CC=C1Br	REAL300020217821	0	35	-1.0	-40.48	314.24	5.99	-34.49
CC1=CC(CN(C)C(=O)CCC2=NN=N[N-]2)=CC=C1Br	REAL300020217821	1	35	-1.0	-40.45	314.29	6.01	-34.44
CC1=CC=C(C(NC(=O)CCC2=N[N-]N=N2)C2=CC=C(Cl)C=C2)C=C1	REAL300020217822	0	42	-1.0	-39.93	370.68	7.93	-32.00
CC1=CC=C(C(NC(=O)CCC2=NN=N[N-]2)C2=CC=C(Cl)C=C2)C=C1	REAL300020217822	1	42	-1.0	-39.95	370.74	7.95	-32.00
CC(C)(C)OC(=O)N1CC2COCC(C1)C2NC(=O)CCC1=N[N-]N=N1	REAL300020217823	0	51	-1.0	-41.73	387.19	3.73	-38.00
CC(C)(C)OC(=O)N1CC2COCC(C1)C2NC(=O)CCC1=NN=N[N-]1	REAL300020217823	1	51	-1.0	-41.73	387.26	3.75	-37.98
CC(C)(C)OC(=O)N1CCC2CN(C(=O)CCC3=N[N-]N=N3)C2C1	REAL300020217824	0	47	-1.0	-52.32	366.12	4.46	-47.86
CC(C)(C)OC(=O)N1CCC2CN(C(=O)CCC3=NN=N[N-]3)C2C1	REAL300020217824	1	47	-1.0	-52.31	366.18	4.47	-47.84
C=CCN(CC1=CC=CC(OC)=C1)C(=O)CCC1=N[N-]N=N1	REAL300020217825	0	40	-1.0	-44.19	337.72	5.62	-38.57
C=CCN(CC1=CC=CC(OC)=C1)C(=O)CCC1=NN=N[N-]1	REAL300020217825	1	40	-1.0	-44.19	337.78	5.63	-38.56
CC1=C[NH+]=CC=C1N1CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020217826	0	41	0.0	-61.12	327.08	3.76	-57.36
CC1=C[NH+]=CC=C1N1CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300020217826	1	41	0.0	-61.16	327.02	3.74	-57.42
CC1=CC=CC=C1C(NC(=O)CCC1=N[N-]N=N1)C1=CC=C(Cl)C=C1	REAL300020217827	0	42	-1.0	-40.15	363.15	7.77	-32.38
CC1=CC=CC=C1C(NC(=O)CCC1=NN=N[N-]1)C1=CC=C(Cl)C=C1	REAL300020217827	1	42	-1.0	-40.13	363.21	7.79	-32.34
CC1=CC=CC(C(NC(=O)CCC2=N[N-]N=N2)C2=CC=C(Cl)C=C2)=C1	REAL300020217828	0	42	-1.0	-40.14	370.63	7.91	-32.23
CC1=CC=CC(C(NC(=O)CCC2=NN=N[N-]2)C2=CC=C(Cl)C=C2)=C1	REAL300020217828	1	42	-1.0	-40.14	370.69	7.93	-32.21
CC(C)N(CCNC(=O)OC(C)(C)C)C(=O)CCC1=N[N-]N=N1	REAL300020217829	0	48	-1.0	-45.00	377.18	3.08	-41.92
CC(C)N(CCNC(=O)OC(C)(C)C)C(=O)CCC1=NN=N[N-]1	REAL300020217829	1	48	-1.0	-44.99	377.24	3.09	-41.90
O=C(CCC1=N[N-]N=N1)NC1=CC=C(NC(=O)C2=CC=C3OCOC3=C2)C=C1	REAL300020217830	0	43	-1.0	-47.58	369.33	3.26	-44.32
O=C(CCC1=NN=N[N-]1)NC1=CC=C(NC(=O)C2=CC=C3OCOC3=C2)C=C1	REAL300020217830	1	43	-1.0	-47.58	369.39	3.28	-44.30
CC1=CC(Cl)=CC2=C1CN(C(=O)CCC1=N[N-]N=N1)CC2	REAL300020217831	0	36	-1.0	-38.97	308.52	6.01	-32.96
CC1=CC(Cl)=CC2=C1CN(C(=O)CCC1=NN=N[N-]1)CC2	REAL300020217831	1	36	-1.0	-38.96	308.57	6.02	-32.94
O=C(CCC1=N[N-]N=N1)N1CCC(OC2=CC=C(Cl)C=C2)CC1	REAL300020217832	0	40	-1.0	-40.25	338.40	5.76	-34.49
O=C(CCC1=NN=N[N-]1)N1CCC(OC2=CC=C(Cl)C=C2)CC1	REAL300020217832	1	40	-1.0	-40.27	338.46	5.78	-34.49
CCC(NC(=O)CCC1=N[N-]N=N1)C(C)C1=CC=CC(Br)=C1	REAL300020217833	0	41	-1.0	-38.76	348.61	6.04	-32.72
CCC(NC(=O)CCC1=NN=N[N-]1)C(C)C1=CC=CC(Br)=C1	REAL300020217833	1	41	-1.0	-38.78	348.66	6.05	-32.73
O=C(CCC1=N[N-]N=N1)N1CCCC(O)(C2=CC=CC=C2)CC1	REAL300020217834	0	43	-1.0	-42.25	328.19	4.91	-37.34
O=C(CCC1=NN=N[N-]1)N1CCCC(O)(C2=CC=CC=C2)CC1	REAL300020217834	1	43	-1.0	-42.23	328.25	4.93	-37.30
CC1(C)CN(C(=O)CCC2=N[N-]N=N2)CCN1S(C)(=O)=O	REAL300020217835	0	40	-1.0	-44.14	317.70	0.67	-43.47
CC1(C)CN(C(=O)CCC2=NN=N[N-]2)CCN1S(C)(=O)=O	REAL300020217835	1	40	-1.0	-44.14	317.76	0.69	-43.45
O=C(CCC1=N[N-]N=N1)NCCCC(F)(F)C(F)(F)F	REAL300020217836	0	31	-1.0	-39.76	291.31	2.50	-37.26
O=C(CCC1=NN=N[N-]1)NCCCC(F)(F)C(F)(F)F	REAL300020217836	1	31	-1.0	-39.74	291.37	2.51	-37.23
COC1=CC=CC=C1C(NC(=O)CCC1=N[N-]N=N1)C1=CC=C(Cl)C=C1	REAL300020217837	0	43	-1.0	-41.57	376.88	6.92	-34.65
COC1=CC=CC=C1C(NC(=O)CCC1=NN=N[N-]1)C1=CC=C(Cl)C=C1	REAL300020217837	1	43	-1.0	-41.58	376.93	6.93	-34.65
O=C(CCC1=NN=N[N-]1)NC1=CC=C(N2C=NN=N2)C(F)=C1	REAL300020217838	0	31	-1.0	-41.65	283.21	2.70	-38.95
O=C(CCC1=N[N-]N=N1)NC1=CC=C(N2C=NN=N2)C(F)=C1	REAL300020217838	1	31	-1.0	-41.63	283.15	2.68	-38.95
COC1(C2=CC=C(NC(=O)CCC3=NN=N[N-]3)C=N2)CCOCC1	REAL300020217839	0	43	-1.0	-39.90	345.71	1.28	-38.62
COC1(C2=CC=C(NC(=O)CCC3=N[N-]N=N3)C=N2)CCOCC1	REAL300020217839	1	43	-1.0	-39.85	345.66	1.27	-38.58
CC(C)(C)OC(=O)C1CC2(C1)SCCN2C(=O)CCC1=N[N-]N=N1	REAL300020217840	0	46	-1.0	-43.22	370.99	6.32	-36.90
CC(C)(C)OC(=O)C1CC2(C1)SCCN2C(=O)CCC1=NN=N[N-]1	REAL300020217840	1	46	-1.0	-43.22	371.04	6.34	-36.88
O=C(CCC1=N[N-]N=N1)N1CCC2=CC=C(Cl)C(Br)=C2C1	REAL300020217841	0	33	-1.0	-40.97	307.25	5.92	-35.05
O=C(CCC1=NN=N[N-]1)N1CCC2=CC=C(Cl)C(Br)=C2C1	REAL300020217841	1	33	-1.0	-41.00	307.31	5.93	-35.07
COC(=O)C(CC1=CC=CC=C1)ONC(=O)CCC1=N[N-]N=N1	REAL300020217842	0	39	-1.0	-46.69	346.79	5.77	-40.92
COC(=O)C(CC1=CC=CC=C1)ONC(=O)CCC1=NN=N[N-]1	REAL300020217842	1	39	-1.0	-46.70	346.84	5.79	-40.91
COC(=O)C(CC1=CC=CC=C1)O[N-]C(=O)CCC1=NN=N[N-]1	REAL300020217842	1	38	-2.0	-103.37	343.98	5.22	-98.15
CC(NC(=O)CCC1=N[N-]N=N1)C1(O)CCN(C(=O)OC(C)(C)C)CC1	REAL300020217843	0	53	-1.0	-43.26	402.84	1.74	-41.52
CC(NC(=O)CCC1=NN=N[N-]1)C1(O)CCN(C(=O)OC(C)(C)C)CC1	REAL300020217843	1	53	-1.0	-43.30	402.89	1.75	-41.55
O=C(CCC1=N[N-]N=N1)N1C[C@@H](O)[C@H](N2CCC3=CC=CC=C3C2)C1	REAL300020217844	0	46	-1.0	-40.72	357.11	1.32	-39.40
O=C(CCC1=NN=N[N-]1)N1C[C@@H](O)[C@H]([N@@H+]2CCC3=CC=CC=C3C2)C1	REAL300020217844	1	47	0.0	-61.34	367.21	3.93	-57.41
O=C(CCC1=NN=N[N-]1)N1C[C@@H](O)[C@H]([N@H+]2CCC3=CC=CC=C3C2)C1	REAL300020217844	1	47	0.0	-60.44	365.96	3.94	-56.50
O=C(CCC1=NN=N[N-]1)N1C[C@@H](O)[C@H](N2CCC3=CC=CC=C3C2)C1	REAL300020217844	1	46	-1.0	-40.73	357.17	1.33	-39.40
O=C(CCC1=N[N-]N=N1)N1CCC2(CC1)CC1=CC=CC=C1NC2=O	REAL300020217845	0	44	-1.0	-42.97	342.74	4.36	-38.61
O=C(CCC1=NN=N[N-]1)N1CCC2(CC1)CC1=CC=CC=C1NC2=O	REAL300020217845	1	44	-1.0	-42.96	342.79	4.37	-38.59
O=C(CCC1=N[N-]N=N1)NCCCCN1C(=O)OC2=CC=CC=C21	REAL300020217846	0	41	-1.0	-49.00	355.17	4.53	-44.47
O=C(CCC1=NN=N[N-]1)NCCCCN1C(=O)OC2=CC=CC=C21	REAL300020217846	1	41	-1.0	-49.01	355.23	4.54	-44.47
COC(=O)C(CC1=CNC2=CC=CC(F)=C12)NC(=O)CCC1=N[N-]N=N1	REAL300020217847	0	42	-1.0	-48.25	370.90	4.67	-43.58
COC(=O)C(CC1=CNC2=CC=CC(F)=C12)NC(=O)CCC1=NN=N[N-]1	REAL300020217847	1	42	-1.0	-48.24	370.96	4.68	-43.56
COC(=O)C(CC1=CNC2=CC=C(OC)C=C12)NC(=O)CCC1=N[N-]N=N1	REAL300020217848	0	46	-1.0	-49.80	389.75	4.04	-45.76
COC(=O)C(CC1=CNC2=CC=C(OC)C=C12)NC(=O)CCC1=NN=N[N-]1	REAL300020217848	1	46	-1.0	-49.78	389.81	4.06	-45.72
O=C(CCC1=N[N-]N=N1)N1CCC(S(=O)(=O)NCC2=CC=CC=C2)CC1	REAL300020217849	0	47	-1.0	-48.92	393.78	2.87	-46.05
O=C(CCC1=NN=N[N-]1)N1CCC(S(=O)(=O)NCC2=CC=CC=C2)CC1	REAL300020217849	1	47	-1.0	-48.92	393.84	2.88	-46.04
O=C(CCC1=N[N-]N=N1)NCCC1=CC=C(Br)C(F)=C1	REAL300020217850	0	32	-1.0	-41.58	306.10	4.13	-37.45
O=C(CCC1=NN=N[N-]1)NCCC1=CC=C(Br)C(F)=C1	REAL300020217850	1	32	-1.0	-41.55	306.15	4.15	-37.40
O=C(CCC1=N[N-]N=N1)NCC1=CSC=C1Br	REAL300020217851	0	26	-1.0	-39.23	267.17	2.17	-37.06
O=C(CCC1=NN=N[N-]1)NCC1=CSC=C1Br	REAL300020217851	1	26	-1.0	-39.20	267.23	2.18	-37.02
O=C(CCC1=N[N-]N=N1)N1CCC(O)(C2=CC=CC(C(F)(F)F)=C2)C1	REAL300020217852	0	40	-1.0	-43.75	345.34	3.33	-40.42
O=C(CCC1=NN=N[N-]1)N1CCC(O)(C2=CC=CC(C(F)(F)F)=C2)C1	REAL300020217852	1	40	-1.0	-43.76	345.40	3.34	-40.42
O=C(CCC1=N[N-]N=N1)N1CCC(O)(C2=CC=C(C(F)(F)F)C=C2)C1	REAL300020217853	0	40	-1.0	-42.33	344.67	3.31	-39.02
O=C(CCC1=NN=N[N-]1)N1CCC(O)(C2=CC=C(C(F)(F)F)C=C2)C1	REAL300020217853	1	40	-1.0	-42.34	344.73	3.33	-39.01
CC1=CC(CC2(NC(=O)CCC3=N[N-]N=N3)CC2)=CC=C1F	REAL300020217854	0	39	-1.0	-41.01	336.33	5.69	-35.32
CC1=CC(CC2(NC(=O)CCC3=NN=N[N-]3)CC2)=CC=C1F	REAL300020217854	1	39	-1.0	-41.01	336.39	5.70	-35.31
O=C(CCC1=N[N-]N=N1)N1CCC2CC(C3=CC=C(F)C=C3)C2C1	REAL300020217855	0	43	-1.0	-41.28	338.20	7.22	-34.06
O=C(CCC1=NN=N[N-]1)N1CCC2CC(C3=CC=C(F)C=C3)C2C1	REAL300020217855	1	43	-1.0	-41.28	338.26	7.23	-34.05
CC(C)C1=CC=C2OCC[C@@H](NC(=O)CCC3=N[N-]N=N3)C2=C1	REAL300020217856	0	43	-1.0	-39.02	347.73	4.79	-34.23
CC(C)C1=CC=C2OCC[C@@H](NC(=O)CCC3=NN=N[N-]3)C2=C1	REAL300020217856	1	43	-1.0	-39.01	347.79	4.80	-34.21
CC(C)C1=CC=C2OCC[C@H](NC(=O)CCC3=N[N-]N=N3)C2=C1	REAL300020217857	0	43	-1.0	-38.98	347.72	4.79	-34.19
CC(C)C1=CC=C2OCC[C@H](NC(=O)CCC3=NN=N[N-]3)C2=C1	REAL300020217857	1	43	-1.0	-38.98	347.78	4.80	-34.18
O=C(CCC1=N[N-]N=N1)NC1CS(=O)(=O)C12CCOCC2	REAL300020217858	0	37	-1.0	-45.67	302.85	-1.67	-47.34
O=C(CCC1=NN=N[N-]1)NC1CS(=O)(=O)C12CCOCC2	REAL300020217858	1	37	-1.0	-45.65	302.91	-1.65	-47.30
CC1CN(S(C)(=O)=O)CCN1C(=O)CCC1=N[N-]N=N1	REAL300020217859	0	37	-1.0	-44.75	304.23	-0.06	-44.81
CC1CN(S(C)(=O)=O)CCN1C(=O)CCC1=NN=N[N-]1	REAL300020217859	1	37	-1.0	-44.74	304.29	-0.05	-44.79
CN1N=C(C2CCCN(C(=O)CCC3=N[N-]N=N3)C2)N=C1N	REAL300020217860	0	40	-1.0	-46.67	327.53	4.04	-42.63
CN1N=C(C2CCCN(C(=O)CCC3=NN=N[N-]3)C2)N=C1N	REAL300020217860	1	40	-1.0	-46.65	327.59	4.06	-42.59
CC1=NN(C2CCN(C(=O)CCC3=N[N-]N=N3)CC2)C(N)=N1	REAL300020217861	0	40	-1.0	-46.81	327.16	4.58	-42.23
CC1=NN(C2CCN(C(=O)CCC3=NN=N[N-]3)CC2)C(N)=N1	REAL300020217861	1	40	-1.0	-46.82	327.22	4.59	-42.23
O=C(CCC1=N[N-]N=N1)NC1=CC=C(C2=NNC3=C2COCC3)C=C1	REAL300020217862	0	41	-1.0	-45.90	341.72	2.42	-43.48
O=C(CCC1=NN=N[N-]1)NC1=CC=C(C2=NNC3=C2COCC3)C=C1	REAL300020217862	1	41	-1.0	-45.90	341.78	2.43	-43.47
COC(=O)[C@@H]1CN(C(=O)CCC2=N[N-]N=N2)C[C@H]1CC1=CC=CC=C1	REAL300020217863	0	45	-1.0	-42.92	376.30	6.95	-35.97
COC(=O)[C@@H]1CN(C(=O)CCC2=NN=N[N-]2)C[C@H]1CC1=CC=CC=C1	REAL300020217863	1	45	-1.0	-42.92	376.36	6.97	-35.95
O=C(CCC1=N[N-]N=N1)NC1=CC=C(NC2CCCC2)N=C1	REAL300020217864	0	40	-1.0	-39.97	326.46	3.36	-36.61
O=C(CCC1=NN=N[N-]1)NC1=CC=C(NC2CCCC2)N=C1	REAL300020217864	1	40	-1.0	-40.03	326.51	3.38	-36.65
C=CCNC(=O)C1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1O	REAL300020217865	0	38	-1.0	-48.35	330.97	0.82	-47.53
C=CCNC(=O)C1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1O	REAL300020217865	1	38	-1.0	-48.27	331.03	0.83	-47.44
CC(C)(C)OC(=O)N1CC2(CC(NC(=O)CCC3=N[N-]N=N3)C2)C1	REAL300020217866	0	47	-1.0	-47.01	379.36	3.28	-43.73
CC(C)(C)OC(=O)N1CC2(CC(NC(=O)CCC3=NN=N[N-]3)C2)C1	REAL300020217866	1	47	-1.0	-47.01	379.42	3.30	-43.71
CCN1N=CC(NC(=O)CCC2=NN=N[N-]2)=C1C(F)(F)F	REAL300020217867	0	32	-1.0	-38.15	286.21	2.00	-36.15
CCN1N=CC(NC(=O)CCC2=N[N-]N=N2)=C1C(F)(F)F	REAL300020217867	1	32	-1.0	-38.17	286.15	1.99	-36.18
O=C(CCC1=N[N-]N=N1)N1CCCC(C2=CC=CC(O)=C2F)C1	REAL300020218529	0	40	-1.0	-46.13	328.40	3.44	-42.69
O=C(CCC1=NN=N[N-]1)N1CCCC(C2=CC=CC(O)=C2F)C1	REAL300020218529	1	40	-1.0	-46.14	328.46	3.45	-42.69
O=C(CCC1=N[N-]N=N1)NC(C1=CC=CC=C1Cl)C1CCCCC1	REAL300020218530	0	45	-1.0	-39.91	361.62	7.44	-32.47
O=C(CCC1=NN=N[N-]1)NC(C1=CC=CC=C1Cl)C1CCCCC1	REAL300020218530	1	45	-1.0	-39.91	361.68	7.46	-32.45
CCOC(=O)C1=CC=C(NC)C(NC(=O)CCC2=N[N-]N=N2)=C1	REAL300020218531	0	40	-1.0	-48.11	340.39	3.26	-44.85
CCOC(=O)C1=CC=C(NC)C(NC(=O)CCC2=NN=N[N-]2)=C1	REAL300020218531	1	40	-1.0	-48.12	340.45	3.28	-44.84
O=C(CCC1=N[N-]N=N1)N1CCN2N=C(Br)N=C2C1	REAL300020218532	0	29	-1.0	-41.42	271.66	2.48	-38.94
O=C(CCC1=NN=N[N-]1)N1CCN2N=C(Br)N=C2C1	REAL300020218532	1	29	-1.0	-41.43	271.72	2.50	-38.93
CCOC(=O)C1(CNC(=O)CCC2=N[N-]N=N2)CC2(CCC2)C1	REAL300020218533	0	45	-1.0	-39.24	361.39	5.35	-33.89
CCOC(=O)C1(CNC(=O)CCC2=NN=N[N-]2)CC2(CCC2)C1	REAL300020218533	1	45	-1.0	-39.22	361.45	5.37	-33.85
CCOC(=O)C12CC(CNC(=O)CCC3=NN=N[N-]3)(C1)OC2C1=CN(C)N=C1	REAL300020218534	0	50	-1.0	-46.27	418.68	3.21	-43.06
CCOC(=O)C12CC(CNC(=O)CCC3=N[N-]N=N3)(C1)OC2C1=CN(C)N=C1	REAL300020218534	1	50	-1.0	-46.30	418.64	3.20	-43.10
CCCCN1N=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1C	REAL300020231529	0	47	-1.0	-51.42	397.19	4.03	-47.39
CCCCN1N=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1C	REAL300020231529	1	47	-1.0	-51.41	397.25	4.04	-47.37
CCCCN1N=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1C	REAL300020231530	0	44	-1.0	-48.12	355.95	4.12	-44.00
CCCCN1N=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1C	REAL300020231530	1	44	-1.0	-48.12	356.03	4.14	-43.98
CCCCN1N=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1C	REAL300020231531	0	50	-1.0	-55.87	377.59	5.97	-49.90
CCCCN1N=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1C	REAL300020231531	1	50	-1.0	-55.88	377.64	5.98	-49.90
O=C(NC1=CN(C2=CC=C(C(F)(F)F)C=C2)N=C1)N1CCCC1C1=NN=N[N-]1	REAL300020231532	0	42	-1.0	-56.79	365.44	5.59	-51.20
O=C(NC1=CN(C2=CC=C(C(F)(F)F)C=C2)N=C1)N1CCCC1C1=N[N-]N=N1	REAL300020231532	1	42	-1.0	-56.81	365.38	5.57	-51.24
O=C(NC1=CN(C2=CC=C(C(F)(F)F)C=C2)N=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020231533	0	42	-1.0	-47.10	366.92	5.62	-41.48
O=C(NC1=CN(C2=CC=C(C(F)(F)F)C=C2)N=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020231533	1	42	-1.0	-47.15	366.85	5.62	-41.53
CC1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=NN1C	REAL300020231534	0	38	-1.0	-50.99	324.61	4.01	-46.98
CC1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=NN1C	REAL300020231534	1	38	-1.0	-50.91	324.55	3.99	-46.92
CSCC[C@H](NC(=O)NC1=NN(C)C(C)=C1)C1=N[N-]N=N1	REAL300020231535	0	38	-1.0	-49.35	333.52	2.57	-46.78
CSCC[C@H](NC(=O)NC1=NN(C)C(C)=C1)C1=NN=N[N-]1	REAL300020231535	1	38	-1.0	-49.33	333.57	2.59	-46.74
CC1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=NN1C	REAL300020231536	0	41	-1.0	-51.45	313.32	4.41	-47.04
CC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=NN1C	REAL300020231536	1	41	-1.0	-51.43	313.35	4.42	-47.01
O=C(NC1=CC(C2CNC(=O)C2)=CC=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020231537	0	46	-1.0	-59.20	383.50	3.67	-55.53
O=C(NC1=CC(C2CNC(=O)C2)=CC=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020231537	1	46	-1.0	-59.21	383.44	3.65	-55.56
O=C(NC1=CC(C2CNC(=O)C2)=CC=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020231538	0	46	-1.0	-48.13	363.20	3.21	-44.92
O=C(NC1=CC(C2CNC(=O)C2)=CC=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020231538	1	46	-1.0	-48.12	363.26	3.22	-44.90
O=C(NC1=CC(C2CNC(=O)C2)=CC=C1)N1CCCC1C1=N[N-]N=N1	REAL300020231539	0	43	-1.0	-56.53	349.12	2.22	-54.31
O=C(NC1=CC(C2CNC(=O)C2)=CC=C1)N1CCCC1C1=NN=N[N-]1	REAL300020231539	1	43	-1.0	-56.54	349.18	2.23	-54.31
CSCC[C@H](NC(=O)NC1=CC=CC(C2CNC(=O)C2)=C1)C1=N[N-]N=N1	REAL300020231540	0	46	-1.0	-51.44	392.35	2.24	-49.20
CSCC[C@H](NC(=O)NC1=CC=CC(C2CNC(=O)C2)=C1)C1=NN=N[N-]1	REAL300020231540	1	46	-1.0	-51.49	392.41	2.27	-49.22
O=C(NC1=CC(C2CNC(=O)C2)=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020231541	0	43	-1.0	-48.56	350.18	2.31	-46.25
O=C(NC1=CC(C2CNC(=O)C2)=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020231541	1	43	-1.0	-48.59	350.26	2.33	-46.26
O=C(NC1=CC(C2CNC(=O)C2)=CC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020231542	0	49	-1.0	-43.33	378.88	3.34	-39.99
O=C(NC1=CC(C2CNC(=O)C2)=CC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020231542	1	49	-1.0	-43.35	378.93	3.37	-39.98
O=C(NC1=NN(CC(F)(F)F)C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020231543	0	38	-1.0	-46.55	344.53	4.91	-41.64
O=C(NC1=NN(CC(F)(F)F)C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020231543	1	38	-1.0	-46.56	344.48	4.88	-41.68
O=C(NC1=NN(CC(F)(F)F)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020231544	0	38	-1.0	-47.74	325.30	4.42	-43.32
O=C(NC1=NN(CC(F)(F)F)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020231544	1	38	-1.0	-47.73	325.24	4.41	-43.32
O=C(NC1=NN(CC(F)(F)F)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020231545	0	35	-1.0	-55.68	309.90	3.52	-52.16
O=C(NC1=NN(CC(F)(F)F)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020231545	1	35	-1.0	-55.64	309.84	3.49	-52.15
CSCC[C@H](NC(=O)NC1=NN(CC(F)(F)F)C=C1)C1=NN=N[N-]1	REAL300020231546	0	38	-1.0	-50.76	353.51	3.48	-47.28
CSCC[C@H](NC(=O)NC1=NN(CC(F)(F)F)C=C1)C1=N[N-]N=N1	REAL300020231546	1	38	-1.0	-50.76	353.46	3.47	-47.29
O=C(NC1=NN(CC(F)(F)F)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020231547	0	35	-1.0	-47.18	311.37	3.56	-43.62
O=C(NC1=NN(CC(F)(F)F)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020231547	1	35	-1.0	-47.22	311.29	3.55	-43.67
O=C(NC1=NN(CC(F)(F)F)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020231548	0	41	-1.0	-50.53	333.30	5.30	-45.23
O=C(NC1=NN(CC(F)(F)F)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020231548	1	41	-1.0	-50.50	333.27	5.29	-45.21
COC1=CC(OC2=CC=CC=C2)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020231549	0	50	-1.0	-44.18	401.55	6.52	-37.66
COC1=CC(OC2=CC=CC=C2)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020231549	1	50	-1.0	-44.18	401.61	6.53	-37.65
COC1=CC(OC2=CC=CC=C2)=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020231550	0	47	-1.0	-54.83	386.09	5.62	-49.21
COC1=CC(OC2=CC=CC=C2)=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020231550	1	47	-1.0	-54.84	386.14	5.64	-49.20
COC1=CC(OC2=CC=CC=C2)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020231551	0	47	-1.0	-43.68	386.83	5.73	-37.95
COC1=CC(OC2=CC=CC=C2)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020231551	1	47	-1.0	-43.68	386.91	5.74	-37.94
CCOC(=O)NC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1C#N	REAL300020231552	0	47	-1.0	-45.82	391.03	3.82	-42.00
CCOC(=O)NC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1C#N	REAL300020231552	1	47	-1.0	-45.85	391.09	3.83	-42.02
CCOC(=O)NC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1C#N	REAL300020231553	0	44	-1.0	-54.63	376.68	3.01	-51.62
CCOC(=O)NC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1C#N	REAL300020231553	1	44	-1.0	-54.63	376.74	3.02	-51.61
CCOC(=O)NC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1C#N	REAL300020231554	0	44	-1.0	-46.50	378.07	3.07	-43.43
CCOC(=O)NC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1C#N	REAL300020231554	1	44	-1.0	-46.51	378.14	3.07	-43.44
CCOC(=O)NC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1C#N	REAL300020231555	0	50	-1.0	-39.77	407.03	4.10	-35.67
CCOC(=O)NC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1C#N	REAL300020231555	1	50	-1.0	-39.79	407.06	4.10	-35.69
CC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(=O)N1C	REAL300020231556	0	41	-1.0	-55.66	346.66	5.06	-50.60
CC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(=O)N1C	REAL300020231556	1	41	-1.0	-55.67	346.60	5.03	-50.64
CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(=O)N1C	REAL300020231557	0	41	-1.0	-47.79	323.71	3.49	-44.30
CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(=O)N1C	REAL300020231557	1	41	-1.0	-47.78	323.77	3.50	-44.28
CC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C(=O)N1C	REAL300020231558	0	38	-1.0	-75.58	312.12	3.65	-71.93
CC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C(=O)N1C	REAL300020231558	1	38	-1.0	-75.58	312.17	3.68	-71.90
CSCC[C@H](NC(=O)NC1=CC=C(C)N(C)C1=O)C1=N[N-]N=N1	REAL300020231559	0	41	-1.0	-68.16	356.18	3.31	-64.85
CSCC[C@H](NC(=O)NC1=CC=C(C)N(C)C1=O)C1=NN=N[N-]1	REAL300020231559	1	41	-1.0	-68.15	356.24	3.33	-64.82
CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C(=O)N1C	REAL300020231560	0	38	-1.0	-58.24	313.49	3.71	-54.53
CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C(=O)N1C	REAL300020231560	1	38	-1.0	-58.21	313.57	3.73	-54.48
CC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C(=O)N1C	REAL300020231561	0	44	-1.0	-61.87	335.65	5.27	-56.60
CC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C(=O)N1C	REAL300020231561	1	44	-1.0	-61.88	335.71	5.28	-56.60
CC1=CC(Cl)=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1Cl	REAL300020231562	0	38	-1.0	-51.47	352.19	6.50	-44.97
CC1=CC(Cl)=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1Cl	REAL300020231562	1	38	-1.0	-51.51	352.14	6.47	-45.04
CC1=CC(Cl)=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1Cl	REAL300020231563	0	38	-1.0	-41.97	334.64	6.01	-35.96
CC1=CC(Cl)=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1Cl	REAL300020231563	1	38	-1.0	-41.93	334.69	6.02	-35.91
CC1=CC(Cl)=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1Cl	REAL300020231564	0	35	-1.0	-50.80	318.01	5.10	-45.70
CC1=CC(Cl)=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1Cl	REAL300020231564	1	35	-1.0	-50.81	318.07	5.12	-45.69
CSCC[C@H](NC(=O)NC1=CC(Cl)=C(C)C=C1Cl)C1=N[N-]N=N1	REAL300020231565	0	38	-1.0	-45.53	361.53	5.05	-40.48
CSCC[C@H](NC(=O)NC1=CC(Cl)=C(C)C=C1Cl)C1=NN=N[N-]1	REAL300020231565	1	38	-1.0	-45.52	361.59	5.07	-40.45
CC1=CC(Cl)=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1Cl	REAL300020231566	0	35	-1.0	-41.84	320.28	5.17	-36.67
CC1=CC(Cl)=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1Cl	REAL300020231566	1	35	-1.0	-41.84	320.35	5.18	-36.66
CC1=CC(Cl)=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1Cl	REAL300020231567	0	41	-1.0	-46.93	342.13	6.89	-40.04
CC1=CC(Cl)=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1Cl	REAL300020231567	1	41	-1.0	-46.94	342.19	6.90	-40.04
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=C2SC=CC2=CC=C1	REAL300020231568	0	38	-1.0	-41.78	338.42	6.20	-35.58
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=C2SC=CC2=CC=C1	REAL300020231568	1	38	-1.0	-41.80	338.36	6.17	-35.63
O=C(NC1=C2SC=CC2=CC=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020231569	0	38	-1.0	-43.00	319.20	5.71	-37.29
O=C(NC1=C2SC=CC2=CC=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020231569	1	38	-1.0	-43.02	319.26	5.72	-37.30
O=C(NC1=C2SC=CC2=CC=C1)N1CCCC1C1=N[N-]N=N1	REAL300020231570	0	35	-1.0	-53.25	304.31	4.77	-48.48
O=C(NC1=C2SC=CC2=CC=C1)N1CCCC1C1=NN=N[N-]1	REAL300020231570	1	35	-1.0	-53.27	304.37	4.79	-48.48
CSCC[C@H](NC(=O)NC1=C2SC=CC2=CC=C1)C1=N[N-]N=N1	REAL300020231571	0	38	-1.0	-47.17	348.89	4.75	-42.42
CSCC[C@H](NC(=O)NC1=C2SC=CC2=CC=C1)C1=NN=N[N-]1	REAL300020231571	1	38	-1.0	-47.22	348.95	4.76	-42.46
O=C(NC1=C2SC=CC2=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020231572	0	35	-1.0	-43.55	306.72	4.82	-38.73
O=C(NC1=C2SC=CC2=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020231572	1	35	-1.0	-43.54	306.80	4.84	-38.70
O=C(NC1=C2SC=CC2=CC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020231573	0	41	-1.0	-43.18	331.18	5.84	-37.34
O=C(NC1=C2SC=CC2=CC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020231573	1	41	-1.0	-43.18	331.20	5.84	-37.34
NC(=O)C1=CC=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020231574	0	38	-1.0	-49.33	336.04	1.34	-47.99
NC(=O)C1=CC=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020231574	1	38	-1.0	-49.34	335.98	1.32	-48.02
NC(=O)C1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020231575	0	38	-1.0	-44.04	314.41	0.23	-43.81
NC(=O)C1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020231575	1	38	-1.0	-44.03	314.35	0.21	-43.82
NC(=O)C1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL300020231576	0	35	-1.0	-57.17	301.76	-0.08	-57.25
NC(=O)C1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300020231576	1	35	-1.0	-57.17	301.70	-0.11	-57.28
CSCC[C@H](NC(=O)NC1=CC=CC(C(N)=O)=N1)C1=NN=N[N-]1	REAL300020231577	0	38	-1.0	-50.77	345.29	-0.12	-50.89
CSCC[C@H](NC(=O)NC1=CC=CC(C(N)=O)=N1)C1=N[N-]N=N1	REAL300020231577	1	38	-1.0	-50.76	345.23	-0.14	-50.90
NC(=O)C1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020231578	0	35	-1.0	-48.84	303.14	-0.01	-48.85
NC(=O)C1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020231578	1	35	-1.0	-48.84	303.07	-0.03	-48.87
NC(=O)C1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020231579	0	41	-1.0	-51.85	325.26	1.70	-50.15
NC(=O)C1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020231579	1	41	-1.0	-51.78	325.21	1.68	-50.10
CCOC(=O)CC1=NN=C([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)S1	REAL300020231580	0	41	-2.0	-97.47	380.66	3.38	-94.09
CCOC(=O)CC1=NN=C([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)S1	REAL300020231580	1	41	-2.0	-97.47	380.72	3.41	-94.06
CCOC(=O)CC1=NN=C([N-]C(=O)N2CCC(C3=N[N-]N=N3)CC2)S1	REAL300020231581	0	41	-2.0	-99.16	363.69	3.28	-95.88
CCOC(=O)CC1=NN=C([N-]C(=O)N2CCC(C3=NN=N[N-]3)CC2)S1	REAL300020231581	1	41	-2.0	-99.16	363.74	3.30	-95.86
CCOC(=O)CC1=NN=C([N-]C(=O)N2CCCC2C2=N[N-]N=N2)S1	REAL300020231582	0	38	-2.0	-124.27	347.86	2.16	-122.11
CCOC(=O)CC1=NN=C([N-]C(=O)N2CCCC2C2=NN=N[N-]2)S1	REAL300020231582	1	38	-2.0	-124.30	347.92	2.18	-122.12
CCOC(=O)CC1=NN=C([N-]C(=O)N[C@@H](CCSC)C2=N[N-]N=N2)S1	REAL300020231583	0	41	-2.0	-113.66	389.63	1.97	-111.69
CCOC(=O)CC1=NN=C([N-]C(=O)N[C@@H](CCSC)C2=NN=N[N-]2)S1	REAL300020231583	1	41	-2.0	-113.68	389.69	1.98	-111.70
CCOC(=O)CC1=NN=C([N-]C(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020231584	0	38	-2.0	-101.24	348.61	2.20	-99.04
CCOC(=O)CC1=NN=C([N-]C(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020231584	1	38	-2.0	-101.25	348.68	2.21	-99.04
CCOC(=O)CC1=NN=C([N-]C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020231585	0	44	-2.0	-119.00	372.26	4.25	-114.75
CCOC(=O)CC1=NN=C([N-]C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020231585	1	44	-2.0	-118.99	372.31	4.25	-114.74
CC1=CC(N(C)C)=CC(C)=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020231586	0	49	-1.0	-45.41	391.62	6.68	-38.73
CC1=CC(N(C)C)=CC(C)=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020231586	1	49	-1.0	-45.39	391.57	6.66	-38.73
CC1=CC(N(C)C)=CC(C)=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020231587	0	49	-1.0	-44.17	375.51	6.31	-37.86
CC1=CC(N(C)C)=CC(C)=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020231587	1	49	-1.0	-44.13	375.57	6.33	-37.80
CC1=CC(N(C)C)=CC(C)=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020231588	0	46	-1.0	-55.49	364.69	5.59	-49.90
CC1=CC(N(C)C)=CC(C)=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020231588	1	46	-1.0	-55.49	364.75	5.60	-49.89
CSCC[C@H](NC(=O)NC1=C(C)C=C(N(C)C)C=C1C)C1=N[N-]N=N1	REAL300020231589	0	49	-1.0	-47.90	400.62	5.15	-42.75
CSCC[C@H](NC(=O)NC1=C(C)C=C(N(C)C)C=C1C)C1=NN=N[N-]1	REAL300020231589	1	49	-1.0	-47.87	400.67	5.17	-42.70
CC1=CC(N(C)C)=CC(C)=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020231590	0	46	-1.0	-44.92	359.50	5.26	-39.66
CC1=CC(N(C)C)=CC(C)=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020231590	1	46	-1.0	-44.92	359.57	5.27	-39.65
CC1=CC(N(C)C)=CC(C)=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020231591	0	52	-1.0	-50.43	382.29	7.05	-43.38
CC1=CC(N(C)C)=CC(C)=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020231591	1	52	-1.0	-50.45	382.34	7.05	-43.40
CC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(N(C)C)=N1	REAL300020231592	0	45	-1.0	-43.21	371.09	4.82	-38.39
CC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(N(C)C)=[NH+]1	REAL300020231592	1	46	0.0	-53.74	377.03	4.59	-49.15
CC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(N(C)C)=N1	REAL300020231592	1	45	-1.0	-43.23	371.15	4.85	-38.38
CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(N(C)C)=N1	REAL300020231593	0	45	-1.0	-42.73	351.68	4.24	-38.49
CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(N(C)C)=[NH+]1	REAL300020231593	1	46	0.0	-53.53	357.98	4.08	-49.45
CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(N(C)C)=N1	REAL300020231593	1	45	-1.0	-42.69	351.73	4.26	-38.43
CC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C(N(C)C)=N1	REAL300020231594	0	42	-1.0	-52.32	335.94	3.37	-48.95
CC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C(N(C)C)=[NH+]1	REAL300020231594	1	43	0.0	-54.79	341.90	3.24	-51.55
CC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C(N(C)C)=N1	REAL300020231594	1	42	-1.0	-52.31	335.99	3.39	-48.92
CSCC[C@H](NC(=O)NC1=CC=C(C)N=C1N(C)C)C1=N[N-]N=N1	REAL300020231595	0	45	-1.0	-44.54	379.60	3.31	-41.23
CSCC[C@H](NC(=O)NC1=CC=C(C)[NH+]=C1N(C)C)C1=NN=N[N-]1	REAL300020231595	1	46	0.0	-50.93	386.20	3.14	-47.79
CSCC[C@H](NC(=O)NC1=CC=C(C)N=C1N(C)C)C1=NN=N[N-]1	REAL300020231595	1	45	-1.0	-44.51	379.66	3.33	-41.18
CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C(N(C)C)=N1	REAL300020231596	0	42	-1.0	-42.28	337.44	3.42	-38.86
CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C(N(C)C)=[NH+]1	REAL300020231596	1	43	0.0	-53.34	343.26	3.29	-50.05
CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C(N(C)C)=N1	REAL300020231596	1	42	-1.0	-42.30	337.51	3.43	-38.87
CC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C(N(C)C)=N1	REAL300020231597	0	48	-1.0	-48.67	358.60	5.36	-43.31
CC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C(N(C)C)=[NH+]1	REAL300020231597	1	49	0.0	-48.92	365.66	5.13	-43.79
CC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C(N(C)C)=N1	REAL300020231597	1	48	-1.0	-48.65	358.65	5.38	-43.27
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CN=C1N1CCCCC1C	REAL300020231598	0	55	-1.0	-46.51	417.23	6.05	-40.46
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CN=C1N1CCCCC1C	REAL300020231598	1	55	-1.0	-46.51	417.29	6.07	-40.44
CC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CN=C1N1CCCCC1C	REAL300020231599	0	52	-1.0	-52.86	399.61	5.70	-47.16
CC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CN=C1N1CCCCC1C	REAL300020231599	1	52	-1.0	-52.85	399.67	5.72	-47.13
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CN=C1N1CCCCC1C	REAL300020231600	0	52	-1.0	-43.16	400.63	5.61	-37.55
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CN=C1N1CCCCC1C	REAL300020231600	1	52	-1.0	-43.18	400.71	5.63	-37.55
CC1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CN=C1N1CCCCC1C	REAL300020231601	0	58	-1.0	-43.55	430.77	6.34	-37.21
CC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CN=C1N1CCCCC1C	REAL300020231601	1	58	-1.0	-43.53	430.83	6.36	-37.17
CC(C#N)OC1=CC=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020231602	0	43	-1.0	-46.79	370.03	5.48	-41.31
CC(C#N)OC1=CC=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020231602	1	43	-1.0	-46.80	369.98	5.46	-41.34
CC(C#N)OC1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020231603	0	43	-1.0	-47.17	350.34	4.99	-42.18
CC(C#N)OC1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020231603	1	43	-1.0	-47.17	350.39	5.00	-42.17
CC(C#N)OC1=CC=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020231604	0	40	-1.0	-58.06	337.18	4.09	-53.97
CC(C#N)OC1=CC=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020231604	1	40	-1.0	-58.07	337.24	4.11	-53.96
CSCC[C@H](NC(=O)NC1=CC=CC=C1OC(C)C#N)C1=N[N-]N=N1	REAL300020231605	0	43	-1.0	-51.43	380.76	4.07	-47.36
CSCC[C@H](NC(=O)NC1=CC=CC=C1OC(C)C#N)C1=NN=N[N-]1	REAL300020231605	1	43	-1.0	-51.42	380.81	4.08	-47.34
CC(C#N)OC1=CC=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020231606	0	40	-1.0	-47.70	337.07	4.15	-43.55
CC(C#N)OC1=CC=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020231606	1	40	-1.0	-47.73	337.14	4.15	-43.58
CC(C#N)OC1=CC=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020231607	0	46	-1.0	-47.10	363.04	5.21	-41.89
CC(C#N)OC1=CC=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020231607	1	46	-1.0	-47.09	363.07	5.23	-41.86
O=C(NC1=NN(C2=CC=CC(C(F)(F)F)=C2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020231608	0	42	-1.0	-54.97	365.24	6.55	-48.42
O=C(NC1=NN(C2=CC=CC(C(F)(F)F)=C2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020231608	1	42	-1.0	-54.95	365.19	6.53	-48.42
O=C(NC1=NN(C2=CC=CC(C(F)(F)F)=C2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020231609	0	42	-1.0	-46.40	367.12	6.62	-39.78
O=C(NC1=NN(C2=CC=CC(C(F)(F)F)=C2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020231609	1	42	-1.0	-46.38	367.04	6.61	-39.77
O=C(NC1=CC=C(C2=CC=CC(F)=C2)C(F)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020231610	0	45	-1.0	-43.29	375.96	8.01	-35.28
O=C(NC1=CC=C(C2=CC=CC(F)=C2)C(F)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020231610	1	45	-1.0	-43.24	376.02	8.02	-35.22
O=C(NC1=CC=C(C2=CC=CC(F)=C2)C(F)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020231611	0	42	-1.0	-55.25	360.70	7.06	-48.19
O=C(NC1=CC=C(C2=CC=CC(F)=C2)C(F)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020231611	1	42	-1.0	-55.26	360.76	7.08	-48.18
O=C(NC1=CC=C(C2=CC=CC(F)=C2)C(F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020231612	0	42	-1.0	-46.62	362.03	7.13	-39.49
O=C(NC1=CC=C(C2=CC=CC(F)=C2)C(F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020231612	1	42	-1.0	-46.65	362.11	7.13	-39.52
O=C(NC1=CC=C(C2=CC=CC(F)=C2)C(F)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020231613	0	48	-1.0	-40.18	390.37	8.19	-31.99
O=C(NC1=CC=C(C2=CC=CC(F)=C2)C(F)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020231613	1	48	-1.0	-40.20	390.43	8.22	-31.98
COC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1[N+](=O)[O-]	REAL300020231614	0	41	-1.0	-70.86	358.82	5.50	-65.36
COC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1[N+](=O)[O-]	REAL300020231614	1	41	-1.0	-70.80	358.77	5.48	-65.32
COC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1[N+](=O)[O-]	REAL300020231615	0	41	-1.0	-46.42	339.75	5.01	-41.41
COC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1[N+](=O)[O-]	REAL300020231615	1	41	-1.0	-46.43	339.81	5.02	-41.41
COC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL300020231616	0	38	-1.0	-51.75	324.27	4.11	-47.64
COC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL300020231616	1	38	-1.0	-51.74	324.33	4.12	-47.62
COC1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL300020231617	0	41	-1.0	-45.08	367.80	4.07	-41.01
COC1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL300020231617	1	41	-1.0	-45.10	367.86	4.09	-41.01
COC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1[N+](=O)[O-]	REAL300020231618	0	38	-1.0	-44.36	325.65	4.17	-40.19
COC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1[N+](=O)[O-]	REAL300020231618	1	38	-1.0	-44.38	325.72	4.17	-40.21
COC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1[N+](=O)[O-]	REAL300020231619	0	44	-1.0	-42.55	352.12	5.21	-37.34
COC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1[N+](=O)[O-]	REAL300020231619	1	44	-1.0	-42.59	352.16	5.21	-37.38
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=CC2=C1OCCC2=O	REAL300020231620	0	42	-1.0	-54.08	357.08	4.67	-49.41
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=CC2=C1OCCC2=O	REAL300020231620	1	42	-1.0	-54.09	357.02	4.64	-49.45
O=C(NC1=C2OCCC(=O)C2=CC=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020231621	0	42	-1.0	-44.97	339.53	4.13	-40.84
O=C(NC1=C2OCCC(=O)C2=CC=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020231621	1	42	-1.0	-44.95	339.59	4.15	-40.80
O=C(NC1=C2OCCC(=O)C2=CC=C1)N1CCCC1C1=N[N-]N=N1	REAL300020231622	0	39	-1.0	-54.68	323.80	3.24	-51.44
O=C(NC1=C2OCCC(=O)C2=CC=C1)N1CCCC1C1=NN=N[N-]1	REAL300020231622	1	39	-1.0	-54.70	323.86	3.26	-51.44
CSCC[C@H](NC(=O)NC1=CC=CC2=C1OCCC2=O)C1=N[N-]N=N1	REAL300020231623	0	42	-1.0	-48.00	367.33	3.22	-44.78
CSCC[C@H](NC(=O)NC1=CC=CC2=C1OCCC2=O)C1=NN=N[N-]1	REAL300020231623	1	42	-1.0	-48.02	367.39	3.23	-44.79
O=C(NC1=C2OCCC(=O)C2=CC=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020231624	0	39	-1.0	-44.90	325.17	3.29	-41.61
O=C(NC1=C2OCCC(=O)C2=CC=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020231624	1	39	-1.0	-44.91	325.24	3.31	-41.60
O=C(NC1=C2OCCC(=O)C2=CC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020231625	0	45	-1.0	-50.48	346.50	5.06	-45.42
O=C(NC1=C2OCCC(=O)C2=CC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020231625	1	45	-1.0	-50.47	346.55	5.07	-45.40
N#CC1=CC=C(N2C=CC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=N2)C(Cl)=C1	REAL300020231626	0	43	-1.0	-48.43	380.16	7.60	-40.83
N#CC1=CC=C(N2C=CC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=N2)C(Cl)=C1	REAL300020231626	1	43	-1.0	-48.43	380.10	7.58	-40.85
N#CC1=CC=C(N2C=CC(NC(=O)N3CCCC3C3=NN=N[N-]3)=N2)C(Cl)=C1	REAL300020231627	0	40	-1.0	-54.71	364.40	6.67	-48.04
N#CC1=CC=C(N2C=CC(NC(=O)N3CCCC3C3=N[N-]N=N3)=N2)C(Cl)=C1	REAL300020231627	1	40	-1.0	-54.76	364.34	6.66	-48.10
N#CC1=CC=C(N2C=CC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=N2)C(Cl)=C1	REAL300020231628	0	40	-1.0	-46.91	365.83	6.74	-40.17
N#CC1=CC=C(N2C=CC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=N2)C(Cl)=C1	REAL300020231628	1	40	-1.0	-46.95	365.76	6.73	-40.22
O=C([N-]C1=NC(CC2=CC=CC=C2)=CS1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020231629	0	43	-2.0	-87.83	387.18	6.10	-81.73
O=C([N-]C1=NC(CC2=CC=CC=C2)=CS1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020231629	1	43	-2.0	-87.88	387.24	6.13	-81.75
O=C(NC1=NC(CC2=CC=CC=C2)=CS1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020231629	1	44	-1.0	-41.30	390.44	7.31	-33.99
O=C(NC1=NC(CC2=CC=CC=C2)=CS1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020231629	1	44	-1.0	-41.29	390.50	7.33	-33.96
O=C(NC1=NC(CC2=CC=CC=C2)=CS1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020231630	0	44	-1.0	-43.03	371.26	6.84	-36.19
O=C(NC1=NC(CC2=CC=CC=C2)=CS1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020231630	1	44	-1.0	-43.06	371.31	6.86	-36.20
O=C([N-]C1=NC(CC2=CC=CC=C2)=CS1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020231630	1	43	-2.0	-89.96	370.21	6.01	-83.95
O=C([N-]C1=NC(CC2=CC=CC=C2)=CS1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020231630	1	43	-2.0	-89.93	370.27	6.02	-83.91
O=C(NC1=NC(CC2=CC=CC=C2)=CS1)N1CCCC1C1=N[N-]N=N1	REAL300020231631	0	41	-1.0	-50.01	355.82	5.92	-44.09
O=C(NC1=NC(CC2=CC=CC=C2)=CS1)N1CCCC1C1=NN=N[N-]1	REAL300020231631	1	41	-1.0	-50.02	355.87	5.95	-44.07
O=C([N-]C1=NC(CC2=CC=CC=C2)=CS1)N1CCCC1C1=N[N-]N=N1	REAL300020231631	1	40	-2.0	-110.01	354.40	4.89	-105.12
O=C([N-]C1=NC(CC2=CC=CC=C2)=CS1)N1CCCC1C1=NN=N[N-]1	REAL300020231631	1	40	-2.0	-110.01	354.46	4.91	-105.10
CSCC[C@H](NC(=O)NC1=NC(CC2=CC=CC=C2)=CS1)C1=N[N-]N=N1	REAL300020231632	0	44	-1.0	-44.29	399.42	5.90	-38.39
CSCC[C@H](NC(=O)NC1=NC(CC2=CC=CC=C2)=CS1)C1=NN=N[N-]1	REAL300020231632	1	44	-1.0	-44.29	399.48	5.92	-38.37
CSCC[C@H](NC(=O)[N-]C1=NC(CC2=CC=CC=C2)=CS1)C1=N[N-]N=N1	REAL300020231632	1	43	-2.0	-100.60	396.18	4.70	-95.90
O=C(NC1=NC(CC2=CC=CC=C2)=CS1)N1CCC(C2=N[N-]N=N2)C1	REAL300020231633	0	41	-1.0	-41.56	357.28	5.98	-35.58
O=C(NC1=NC(CC2=CC=CC=C2)=CS1)N1CCC(C2=NN=N[N-]2)C1	REAL300020231633	1	41	-1.0	-41.56	357.35	5.99	-35.57
O=C([N-]C1=NC(CC2=CC=CC=C2)=CS1)N1CCC(C2=N[N-]N=N2)C1	REAL300020231633	1	40	-2.0	-90.14	355.19	4.94	-85.20
O=C([N-]C1=NC(CC2=CC=CC=C2)=CS1)N1CCC(C2=NN=N[N-]2)C1	REAL300020231633	1	40	-2.0	-90.13	355.26	4.96	-85.17
O=C(NC1=NC(CC2=CC=CC=C2)=CS1)N1CCCCC1CC1=N[N-]N=N1	REAL300020231634	0	47	-1.0	-45.88	379.69	7.73	-38.15
O=C(NC1=NC(CC2=CC=CC=C2)=CS1)N1CCCCC1CC1=NN=N[N-]1	REAL300020231634	1	47	-1.0	-45.89	379.72	7.73	-38.16
O=C([N-]C1=NC(CC2=CC=CC=C2)=CS1)N1CCCCC1CC1=N[N-]N=N1	REAL300020231634	1	46	-2.0	-106.57	378.83	6.98	-99.59
O=C([N-]C1=NC(CC2=CC=CC=C2)=CS1)N1CCCCC1CC1=NN=N[N-]1	REAL300020231634	1	46	-2.0	-106.56	378.87	7.01	-99.55
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=C(Cl)C(OC(F)F)=C1	REAL300020231635	0	39	-1.0	-52.45	358.39	4.90	-47.55
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=C(Cl)C(OC(F)F)=C1	REAL300020231635	1	39	-1.0	-52.43	358.44	4.92	-47.51
O=C(NC1=CC=C(Cl)C(OC(F)F)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020231636	0	39	-1.0	-43.72	339.45	4.39	-39.33
O=C(NC1=CC=C(Cl)C(OC(F)F)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020231636	1	39	-1.0	-43.77	339.51	4.40	-39.37
O=C(NC1=CC=C(Cl)C(OC(F)F)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020231637	0	36	-1.0	-52.42	324.03	3.49	-48.93
O=C(NC1=CC=C(Cl)C(OC(F)F)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020231637	1	36	-1.0	-52.40	324.09	3.51	-48.89
CSCC[C@H](NC(=O)NC1=CC=C(Cl)C(OC(F)F)=C1)C1=N[N-]N=N1	REAL300020231638	0	39	-1.0	-46.58	367.56	3.45	-43.13
CSCC[C@H](NC(=O)NC1=CC=C(Cl)C(OC(F)F)=C1)C1=NN=N[N-]1	REAL300020231638	1	39	-1.0	-46.62	367.62	3.47	-43.15
O=C(NC1=CC=C(Cl)C(OC(F)F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020231639	0	36	-1.0	-43.68	325.45	3.55	-40.13
O=C(NC1=CC=C(Cl)C(OC(F)F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020231639	1	36	-1.0	-43.70	325.52	3.56	-40.14
O=C(NC1=CC=C(Cl)C(OC(F)F)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020231640	0	42	-1.0	-42.59	351.82	4.58	-38.01
O=C(NC1=CC=C(Cl)C(OC(F)F)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020231640	1	42	-1.0	-42.62	351.82	4.60	-38.02
CC1=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)SC(C2=CC=CC=C2)=N1	REAL300020231641	0	44	-1.0	-43.15	387.51	6.49	-36.66
CC1=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)SC(C2=CC=CC=C2)=N1	REAL300020231641	1	44	-1.0	-43.16	387.46	6.47	-36.69
CC1=C([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)SC(C2=CC=CC=C2)=N1	REAL300020231641	1	43	-2.0	-88.63	385.96	5.40	-83.23
CC1=C([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)SC(C2=CC=CC=C2)=N1	REAL300020231641	1	43	-2.0	-88.62	385.91	5.37	-83.25
CC1=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)SC(C2=CC=CC=C2)=N1	REAL300020231642	0	44	-1.0	-44.70	368.32	6.03	-38.67
CC1=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)SC(C2=CC=CC=C2)=N1	REAL300020231642	1	44	-1.0	-44.68	368.27	6.02	-38.66
CC1=C(NC(=O)N2CCCC2C2=NN=N[N-]2)SC(C2=CC=CC=C2)=N1	REAL300020231643	0	41	-1.0	-54.30	352.88	5.10	-49.20
CC1=C(NC(=O)N2CCCC2C2=N[N-]N=N2)SC(C2=CC=CC=C2)=N1	REAL300020231643	1	41	-1.0	-54.29	352.82	5.08	-49.21
CSCC[C@H](NC(=O)NC1=C(C)N=C(C2=CC=CC=C2)S1)C1=NN=N[N-]1	REAL300020231644	0	44	-1.0	-47.48	396.49	5.08	-42.40
CSCC[C@H](NC(=O)NC1=C(C)N=C(C2=CC=CC=C2)S1)C1=N[N-]N=N1	REAL300020231644	1	44	-1.0	-47.46	396.44	5.06	-42.40
CC1=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)SC(C2=CC=CC=C2)=N1	REAL300020231645	0	41	-1.0	-44.60	354.36	5.15	-39.45
CC1=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)SC(C2=CC=CC=C2)=N1	REAL300020231645	1	41	-1.0	-44.58	354.29	5.14	-39.44
CC1=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)SC(C2=CC=CC=C2)=N1	REAL300020231646	0	47	-1.0	-50.37	376.81	6.90	-43.47
CC1=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)SC(C2=CC=CC=C2)=N1	REAL300020231646	1	47	-1.0	-50.35	376.75	6.88	-43.47
CC(C)N1N=NN=C1C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1F	REAL300020231647	0	46	-1.0	-62.97	386.71	4.37	-58.60
CC(C)N1N=NN=C1C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1F	REAL300020231647	1	46	-1.0	-62.97	386.77	4.39	-58.58
CC(C)N1N=NN=C1C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1F	REAL300020231648	0	46	-1.0	-54.98	388.08	4.43	-50.55
CC(C)N1N=NN=C1C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1F	REAL300020231648	1	46	-1.0	-54.95	388.15	4.43	-50.52
CC1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CN=C1Br	REAL300020231649	0	37	-1.0	-51.18	337.69	4.09	-47.09
CC1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CN=C1Br	REAL300020231649	1	37	-1.0	-51.14	337.63	4.07	-47.07
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CN=C1Br	REAL300020231650	0	37	-1.0	-45.88	318.71	3.54	-42.34
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CN=C1Br	REAL300020231650	1	37	-1.0	-45.85	318.65	3.52	-42.33
CC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CN=C1Br	REAL300020231651	0	34	-1.0	-50.26	303.43	2.69	-47.57
CC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CN=C1Br	REAL300020231651	1	34	-1.0	-50.23	303.38	2.68	-47.55
CSCC[C@H](NC(=O)NC1=CN=C(Br)C(C)=C1)C1=NN=N[N-]1	REAL300020231652	0	37	-1.0	-44.71	346.93	2.65	-42.06
CSCC[C@H](NC(=O)NC1=CN=C(Br)C(C)=C1)C1=N[N-]N=N1	REAL300020231652	1	37	-1.0	-44.73	346.88	2.63	-42.10
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CN=C1Br	REAL300020231653	0	34	-1.0	-42.37	304.54	2.76	-39.61
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CN=C1Br	REAL300020231653	1	34	-1.0	-42.39	304.47	2.75	-39.64
CC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CN=C1Br	REAL300020231654	0	40	-1.0	-39.63	331.37	3.76	-35.87
CC1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CN=C1Br	REAL300020231654	1	40	-1.0	-39.62	331.33	3.76	-35.86
CCCC1=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=NN1C1=CC=CC(F)=C1	REAL300020231655	0	51	-1.0	-49.31	409.17	7.49	-41.82
CCCC1=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=NN1C1=CC=CC(F)=C1	REAL300020231655	1	51	-1.0	-49.32	409.23	7.50	-41.82
CCCC1=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=NN1C1=CC=CC(F)=C1	REAL300020231656	0	48	-1.0	-59.32	394.10	6.56	-52.76
CCCC1=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=NN1C1=CC=CC(F)=C1	REAL300020231656	1	48	-1.0	-59.32	394.16	6.57	-52.75
CCCC1=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=NN1C1=CC=CC(F)=C1	REAL300020231657	0	48	-1.0	-48.86	395.57	6.59	-42.27
CCCC1=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=NN1C1=CC=CC(F)=C1	REAL300020231657	1	48	-1.0	-48.87	395.64	6.61	-42.26
COC(=O)NC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1F	REAL300020231658	0	43	-1.0	-57.27	376.13	3.07	-54.20
COC(=O)NC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1F	REAL300020231658	1	43	-1.0	-57.25	376.18	3.09	-54.16
COC(=O)NC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1F	REAL300020231659	0	43	-1.0	-45.44	355.83	2.61	-42.83
COC(=O)NC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1F	REAL300020231659	1	43	-1.0	-45.49	355.89	2.63	-42.86
COC(=O)NC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1F	REAL300020231660	0	40	-1.0	-56.80	341.38	1.74	-55.06
COC(=O)NC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1F	REAL300020231660	1	40	-1.0	-56.81	341.43	1.76	-55.05
COC(=O)NC1=CC=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1F	REAL300020231661	0	43	-1.0	-49.28	384.05	1.66	-47.62
COC(=O)NC1=CC=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1F	REAL300020231661	1	43	-1.0	-49.33	384.11	1.68	-47.65
COC(=O)NC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1F	REAL300020231662	0	40	-1.0	-46.38	342.76	1.80	-44.58
COC(=O)NC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1F	REAL300020231662	1	40	-1.0	-46.44	342.83	1.80	-44.64
COC(=O)NC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1F	REAL300020231663	0	46	-1.0	-41.04	371.71	2.78	-38.26
COC(=O)NC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1F	REAL300020231663	1	46	-1.0	-41.09	371.76	2.79	-38.30
CC(C)(C)OC1=C(F)C=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1F	REAL300020231664	0	48	-1.0	-43.63	380.19	5.71	-37.92
CC(C)(C)OC1=C(F)C=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1F	REAL300020231664	1	48	-1.0	-43.63	380.25	5.73	-37.90
CC(C)(C)OC1=C(F)C=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1F	REAL300020231665	0	45	-1.0	-53.13	364.37	4.83	-48.30
CC(C)(C)OC1=C(F)C=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1F	REAL300020231665	1	45	-1.0	-53.13	364.43	4.85	-48.28
CC(C)(C)OC1=C(F)C=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1F	REAL300020231666	0	45	-1.0	-44.45	365.89	4.88	-39.57
CC(C)(C)OC1=C(F)C=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1F	REAL300020231666	1	45	-1.0	-44.46	365.96	4.89	-39.57
CC(C)(C)OC1=C(F)C=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1F	REAL300020231667	0	51	-1.0	-50.86	388.04	6.71	-44.15
CC(C)(C)OC1=C(F)C=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1F	REAL300020231667	1	51	-1.0	-50.90	388.08	6.73	-44.17
N#CC1=CC(Cl)=CC=C1N1C=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020231668	0	43	-1.0	-50.69	375.55	7.41	-43.28
N#CC1=CC(Cl)=CC=C1N1C=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020231668	1	43	-1.0	-50.67	375.49	7.40	-43.27
N#CC1=CC(Cl)=CC=C1N1C=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL300020231669	0	40	-1.0	-57.14	360.11	6.51	-50.63
N#CC1=CC(Cl)=CC=C1N1C=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300020231669	1	40	-1.0	-57.09	360.05	6.50	-50.59
N#CC1=CC(Cl)=CC=C1N1C=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020231670	0	40	-1.0	-48.74	361.57	6.57	-42.17
N#CC1=CC(Cl)=CC=C1N1C=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020231670	1	40	-1.0	-48.72	361.50	6.55	-42.17
O=C(NC1=CC=C([N+](=O)[O-])C(C(F)(F)F)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020231671	0	40	-1.0	-44.39	342.53	5.67	-38.72
O=C(NC1=CC=C([N+](=O)[O-])C(C(F)(F)F)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020231671	1	40	-1.0	-44.41	342.58	5.69	-38.72
O=C(NC1=CC=C([N+](=O)[O-])C(C(F)(F)F)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020231672	0	37	-1.0	-49.66	326.90	4.79	-44.87
O=C(NC1=CC=C([N+](=O)[O-])C(C(F)(F)F)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020231672	1	37	-1.0	-49.69	326.96	4.80	-44.89
O=C(NC1=CC=C([N+](=O)[O-])C(C(F)(F)F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020231673	0	37	-1.0	-43.40	328.44	4.83	-38.57
O=C(NC1=CC=C([N+](=O)[O-])C(C(F)(F)F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020231673	1	37	-1.0	-43.37	328.51	4.85	-38.52
O=C(NC1=CC=C([N+](=O)[O-])C(C(F)(F)F)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020231674	0	43	-1.0	-45.72	350.45	6.59	-39.13
O=C(NC1=CC=C([N+](=O)[O-])C(C(F)(F)F)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020231674	1	43	-1.0	-45.74	350.51	6.60	-39.14
CN1C=NC(C2=CC=C(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=C2)=N1	REAL300020231675	0	44	-1.0	-49.44	381.33	6.90	-42.54
CN1C=NC(C2=CC=C(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=C2)=N1	REAL300020231675	1	44	-1.0	-49.44	381.27	6.88	-42.56
CN1C=NC(C2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C2)=N1	REAL300020231676	0	44	-1.0	-50.77	362.43	6.41	-44.36
CN1C=NC(C2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C2)=N1	REAL300020231676	1	44	-1.0	-50.75	362.37	6.40	-44.35
CN1C=NC(C2=CC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=C2)=N1	REAL300020231677	0	41	-1.0	-60.39	346.94	5.47	-54.92
CN1C=NC(C2=CC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=C2)=N1	REAL300020231677	1	41	-1.0	-60.39	346.88	5.46	-54.93
CSCC[C@H](NC(=O)NC1=CC=C(C2=NN(C)C=N2)C=C1)C1=NN=N[N-]1	REAL300020231678	0	44	-1.0	-55.71	390.47	5.46	-50.25
CSCC[C@H](NC(=O)NC1=CC=C(C2=NN(C)C=N2)C=C1)C1=N[N-]N=N1	REAL300020231678	1	44	-1.0	-55.72	390.41	5.45	-50.27
CN1C=NC(C2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2)=N1	REAL300020231679	0	41	-1.0	-51.24	348.33	5.54	-45.70
CN1C=NC(C2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2)=N1	REAL300020231679	1	41	-1.0	-51.22	348.25	5.53	-45.69
CN1C=NC(C2=CC=C(NC(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2)=N1	REAL300020231680	0	47	-1.0	-59.67	367.80	7.37	-52.30
CN1C=NC(C2=CC=C(NC(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2)=N1	REAL300020231680	1	47	-1.0	-59.71	367.76	7.36	-52.35
COC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC(OC)=C1Br	REAL300020231681	0	40	-1.0	-53.86	347.10	2.70	-51.16
COC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC(OC)=C1Br	REAL300020231681	1	40	-1.0	-53.86	347.16	2.72	-51.14
COC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC(OC)=C1Br	REAL300020231682	0	40	-1.0	-44.84	348.62	2.76	-42.08
COC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC(OC)=C1Br	REAL300020231682	1	40	-1.0	-44.83	348.69	2.77	-42.06
CC1=CC=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1F	REAL300020231683	0	38	-1.0	-46.76	328.25	5.57	-41.19
CC1=CC=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1F	REAL300020231683	1	38	-1.0	-46.73	328.19	5.54	-41.19
CC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1F	REAL300020231684	0	38	-1.0	-42.59	310.44	5.03	-37.56
CC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1F	REAL300020231684	1	38	-1.0	-42.59	310.49	5.05	-37.54
CSCC[C@H](NC(=O)NC1=CC=CC(C)=C1F)C1=N[N-]N=N1	REAL300020231685	0	38	-1.0	-45.48	337.41	4.09	-41.39
CSCC[C@H](NC(=O)NC1=CC=CC(C)=C1F)C1=NN=N[N-]1	REAL300020231685	1	38	-1.0	-45.51	337.47	4.10	-41.41
CC1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1F	REAL300020231686	0	41	-1.0	-47.98	317.89	5.92	-42.06
CC1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1F	REAL300020231686	1	41	-1.0	-47.97	317.94	5.93	-42.04
CS(=O)(=O)C1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1C(F)F	REAL300020231687	0	41	-1.0	-66.29	349.72	1.75	-64.54
CS(=O)(=O)C1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1C(F)F	REAL300020231687	1	41	-1.0	-66.30	349.78	1.76	-64.54
CS(=O)(=O)C1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1C(F)F	REAL300020231688	0	41	-1.0	-48.76	348.59	1.94	-46.82
CS(=O)(=O)C1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1C(F)F	REAL300020231688	1	41	-1.0	-48.77	348.66	1.95	-46.82
CSC1=CC=C(C)C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020231689	0	42	-1.0	-59.18	361.83	6.70	-52.48
CSC1=CC=C(C)C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020231689	1	42	-1.0	-59.17	361.77	6.68	-52.49
CSC1=CC=C(C)C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020231690	0	42	-1.0	-46.33	340.57	6.13	-40.20
CSC1=CC=C(C)C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020231690	1	42	-1.0	-46.36	340.62	6.14	-40.22
CSC1=CC=C(C)C(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020231691	0	39	-1.0	-57.85	326.48	5.25	-52.60
CSC1=CC=C(C)C(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020231691	1	39	-1.0	-57.85	326.54	5.28	-52.57
CSCC[C@H](NC(=O)NC1=CC(SC)=CC=C1C)C1=N[N-]N=N1	REAL300020231692	0	42	-1.0	-50.00	370.99	5.27	-44.73
CSCC[C@H](NC(=O)NC1=CC(SC)=CC=C1C)C1=NN=N[N-]1	REAL300020231692	1	42	-1.0	-49.99	371.05	5.29	-44.70
CSC1=CC=C(C)C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020231693	0	39	-1.0	-47.96	327.82	5.31	-42.65
CSC1=CC=C(C)C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020231693	1	39	-1.0	-47.99	327.89	5.33	-42.66
CSC1=CC=C(C)C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020231694	0	45	-1.0	-53.23	349.42	7.02	-46.21
CSC1=CC=C(C)C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020231694	1	45	-1.0	-53.27	349.47	7.02	-46.25
CCCC1=NN(C)C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020231695	0	44	-1.0	-43.27	368.29	5.59	-37.68
CCCC1=NN(C)C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020231695	1	44	-1.0	-43.25	368.24	5.57	-37.68
CCCC1=NN(C)C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020231696	0	44	-1.0	-44.77	349.06	5.11	-39.66
CCCC1=NN(C)C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020231696	1	44	-1.0	-44.79	349.11	5.12	-39.67
CCCC1=NN(C)C(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020231697	0	41	-1.0	-54.60	333.60	4.20	-50.40
CCCC1=NN(C)C(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020231697	1	41	-1.0	-54.62	333.65	4.21	-50.41
CCCC1=NN(C)C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1	REAL300020231698	0	44	-1.0	-47.81	377.22	4.15	-43.66
CCCC1=NN(C)C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1	REAL300020231698	1	44	-1.0	-47.82	377.27	4.17	-43.65
CCCC1=NN(C)C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020231699	0	41	-1.0	-44.97	335.08	4.25	-40.72
CCCC1=NN(C)C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020231699	1	41	-1.0	-44.99	335.16	4.26	-40.73
CCCC1=NN(C)C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020231700	0	47	-1.0	-51.06	357.12	5.99	-45.07
CCCC1=NN(C)C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020231700	1	47	-1.0	-51.04	357.16	6.00	-45.04
CCCN1C(=O)CCC2=CC(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)=CC=C21	REAL300020231701	0	52	-1.0	-46.11	401.99	6.78	-39.33
CCCN1C(=O)CCC2=CC(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)=CC=C21	REAL300020231701	1	52	-1.0	-46.13	402.05	6.80	-39.33
CCCN1C(=O)CCC2=CC(NC(=O)N3CCCC3C3=N[N-]N=N3)=CC=C21	REAL300020231702	0	49	-1.0	-56.39	387.63	5.97	-50.42
CCCN1C(=O)CCC2=CC(NC(=O)N3CCCC3C3=NN=N[N-]3)=CC=C21	REAL300020231702	1	49	-1.0	-56.34	387.69	5.99	-50.35
CCCN1C(=O)CCC2=CC(NC(=O)N3CCC(C4=N[N-]N=N4)C3)=CC=C21	REAL300020231703	0	49	-1.0	-46.23	389.02	6.03	-40.20
CCCN1C(=O)CCC2=CC(NC(=O)N3CCC(C4=NN=N[N-]4)C3)=CC=C21	REAL300020231703	1	49	-1.0	-46.29	389.09	6.04	-40.25
CCCN1C(=O)CCC2=CC(NC(=O)N3CCCCC3CC3=N[N-]N=N3)=CC=C21	REAL300020231704	0	55	-1.0	-40.81	415.71	7.03	-33.78
CCCN1C(=O)CCC2=CC(NC(=O)N3CCCCC3CC3=NN=N[N-]3)=CC=C21	REAL300020231704	1	55	-1.0	-41.59	415.76	7.05	-34.54
CCC(C)N1N=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=C1C	REAL300020231705	0	47	-1.0	-50.42	385.27	6.22	-44.20
CCC(C)N1N=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=C1C	REAL300020231705	1	47	-1.0	-50.42	385.21	6.19	-44.23
CCC(C)N1N=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=C1C	REAL300020231706	0	47	-1.0	-46.23	366.03	5.73	-40.50
CCC(C)N1N=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=C1C	REAL300020231706	1	47	-1.0	-46.23	366.09	5.74	-40.49
CCC(C)N1N=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1C	REAL300020231707	0	44	-1.0	-55.45	350.55	4.81	-50.64
CCC(C)N1N=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1C	REAL300020231707	1	44	-1.0	-55.48	350.61	4.84	-50.64
CCC(C)N1N=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)C=C1C	REAL300020231708	0	47	-1.0	-49.05	394.17	4.78	-44.27
CCC(C)N1N=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)C=C1C	REAL300020231708	1	47	-1.0	-49.04	394.22	4.79	-44.25
CCC(C)N1N=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1C	REAL300020231709	0	44	-1.0	-45.31	352.02	4.86	-40.45
CCC(C)N1N=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1C	REAL300020231709	1	44	-1.0	-45.35	352.09	4.88	-40.47
CCC(C)N1N=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1C	REAL300020231710	0	50	-1.0	-51.59	374.07	6.59	-45.00
CCC(C)N1N=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1C	REAL300020231710	1	50	-1.0	-51.59	374.10	6.62	-44.97
CC1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=NN1C1=CC=C(C)C=C1	REAL300020231711	0	48	-1.0	-44.65	402.89	8.07	-36.58
CC1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=NN1C1=CC=C(C)C=C1	REAL300020231711	1	48	-1.0	-44.64	402.83	8.04	-36.60
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=NN1C1=CC=C(C)C=C1	REAL300020231712	0	48	-1.0	-46.86	382.52	7.56	-39.30
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=NN1C1=CC=C(C)C=C1	REAL300020231712	1	48	-1.0	-46.80	382.58	7.57	-39.23
CC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=NN1C1=CC=C(C)C=C1	REAL300020231713	0	45	-1.0	-55.36	366.78	6.64	-48.72
CC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=NN1C1=CC=C(C)C=C1	REAL300020231713	1	45	-1.0	-55.39	366.84	6.66	-48.73
CSCC[C@H](NC(=O)NC1=NN(C2=CC=C(C)C=C2)C(C)=C1)C1=N[N-]N=N1	REAL300020231714	0	48	-1.0	-48.95	411.84	6.63	-42.32
CSCC[C@H](NC(=O)NC1=NN(C2=CC=C(C)C=C2)C(C)=C1)C1=NN=N[N-]1	REAL300020231714	1	48	-1.0	-48.95	411.90	6.64	-42.31
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=NN1C1=CC=C(C)C=C1	REAL300020231715	0	45	-1.0	-45.49	368.23	6.70	-38.79
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=NN1C1=CC=C(C)C=C1	REAL300020231715	1	45	-1.0	-45.51	368.31	6.70	-38.81
CC1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=NN1C1=CC=C(C)C=C1	REAL300020231716	0	51	-1.0	-52.06	390.28	8.42	-43.64
CC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=NN1C1=CC=C(C)C=C1	REAL300020231716	1	51	-1.0	-52.06	390.32	8.44	-43.62
CC1=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C=CC=C1N(C)C	REAL300020231717	0	46	-1.0	-43.60	374.78	5.70	-37.90
CC1=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C=CC=C1N(C)C	REAL300020231717	1	46	-1.0	-43.59	374.73	5.68	-37.91
CC1=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=CC=C1N(C)C	REAL300020231718	0	46	-1.0	-42.82	354.50	5.16	-37.66
CC1=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=CC=C1N(C)C	REAL300020231718	1	46	-1.0	-42.83	354.56	5.17	-37.66
CC1=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=CC=C1N(C)C	REAL300020231719	0	43	-1.0	-52.38	339.47	4.22	-48.16
CC1=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=CC=C1N(C)C	REAL300020231719	1	43	-1.0	-52.38	339.53	4.24	-48.14
CSCC[C@H](NC(=O)NC1=CC=CC(N(C)C)=C1C)C1=N[N-]N=N1	REAL300020231720	0	46	-1.0	-45.54	382.99	4.17	-41.37
CSCC[C@H](NC(=O)NC1=CC=CC(N(C)C)=C1C)C1=NN=N[N-]1	REAL300020231720	1	46	-1.0	-45.52	383.04	4.19	-41.33
CC1=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=CC=C1N(C)C	REAL300020231721	0	43	-1.0	-42.82	340.84	4.28	-38.54
CC1=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=CC=C1N(C)C	REAL300020231721	1	43	-1.0	-42.84	340.92	4.29	-38.55
CC1=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=CC=C1N(C)C	REAL300020231722	0	49	-1.0	-48.85	363.13	5.98	-42.87
CC1=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=CC=C1N(C)C	REAL300020231722	1	49	-1.0	-48.89	363.18	6.00	-42.89
CN1CCC2=CC=C(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=C21	REAL300020231723	0	44	-1.0	-44.59	363.60	4.69	-39.90
CN1CCC2=CC=C(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=C21	REAL300020231723	1	44	-1.0	-44.56	363.54	4.66	-39.90
CN1CCC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C21	REAL300020231724	0	44	-1.0	-43.97	344.87	4.12	-39.85
CN1CCC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C21	REAL300020231724	1	44	-1.0	-43.94	344.93	4.13	-39.81
CN1CCC2=CC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=C21	REAL300020231725	0	41	-1.0	-53.87	329.51	3.21	-50.66
CN1CCC2=CC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=C21	REAL300020231725	1	41	-1.0	-53.88	329.57	3.23	-50.65
CSCC[C@H](NC(=O)NC1=CC=C2CCN(C)C2=C1)C1=N[N-]N=N1	REAL300020231726	0	44	-1.0	-49.68	371.22	3.13	-46.55
CSCC[C@H](NC(=O)NC1=CC=C2CCN(C)C2=C1)C1=NN=N[N-]1	REAL300020231726	1	44	-1.0	-49.71	371.28	3.14	-46.57
CN1CCC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=C21	REAL300020231727	0	41	-1.0	-44.17	330.88	3.27	-40.90
CN1CCC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=C21	REAL300020231727	1	41	-1.0	-44.18	330.95	3.27	-40.91
CN1CCC2=CC=C(NC(=O)N3CCCCC3CC3=N[N-]N=N3)C=C21	REAL300020231728	0	47	-1.0	-44.24	359.25	4.31	-39.93
CN1CCC2=CC=C(NC(=O)N3CCCCC3CC3=NN=N[N-]3)C=C21	REAL300020231728	1	47	-1.0	-44.25	359.30	4.34	-39.91
O=C(NC1=CC=NC(OCC(F)(F)C(F)F)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020231729	0	41	-1.0	-54.86	363.12	2.37	-52.49
O=C(NC1=CC=NC(OCC(F)(F)C(F)F)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020231729	1	41	-1.0	-54.81	363.06	2.35	-52.46
O=C(NC1=CC=NC(OCC(F)(F)C(F)F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020231730	0	41	-1.0	-46.23	364.55	2.40	-43.83
O=C(NC1=CC=NC(OCC(F)(F)C(F)F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020231730	1	41	-1.0	-46.25	364.48	2.40	-43.85
O=C(NC1=CC=C2N=C(C3=CC=CC=N3)OC2=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020231731	0	46	-1.0	-49.10	382.11	3.25	-45.85
O=C(NC1=CC=C2N=C(C3=CC=CC=N3)OC2=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020231731	1	46	-1.0	-49.10	382.17	3.27	-45.83
O=C(NC1=CC=C2N=C(C3=CC=CC=N3)OC2=C1)N1CCCC1C1=N[N-]N=N1	REAL300020231732	0	43	-1.0	-57.75	366.52	2.37	-55.38
O=C(NC1=CC=C2N=C(C3=CC=CC=N3)OC2=C1)N1CCCC1C1=NN=N[N-]1	REAL300020231732	1	43	-1.0	-57.78	366.58	2.38	-55.40
O=C(NC1=CC=C2N=C(C3=CC=CC=N3)OC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020231733	0	43	-1.0	-48.87	368.22	2.38	-46.49
O=C(NC1=CC=C2N=C(C3=CC=CC=N3)OC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020231733	1	43	-1.0	-48.86	368.29	2.39	-46.47
CC1=NOC([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020231734	0	32	-2.0	-87.70	293.36	0.10	-87.60
CC1=NOC([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020231734	1	32	-2.0	-87.68	293.30	0.07	-87.61
CCN1N=C(C)C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1C(=O)OC	REAL300020231735	0	47	-1.0	-45.71	396.12	4.76	-40.95
CCN1N=C(C)C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1C(=O)OC	REAL300020231735	1	47	-1.0	-45.67	396.06	4.73	-40.94
CCN1N=C(C)C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1C(=O)OC	REAL300020231736	0	47	-1.0	-46.33	376.63	4.24	-42.09
CCN1N=C(C)C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1C(=O)OC	REAL300020231736	1	47	-1.0	-46.31	376.69	4.26	-42.05
CCN1N=C(C)C(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1C(=O)OC	REAL300020231737	0	44	-1.0	-61.80	369.96	3.49	-58.31
CCN1N=C(C)C(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1C(=O)OC	REAL300020231737	1	44	-1.0	-61.85	370.01	3.50	-58.35
CCN1N=C(C)C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1C(=O)OC	REAL300020231738	0	47	-1.0	-51.36	409.64	3.18	-48.18
CCN1N=C(C)C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1C(=O)OC	REAL300020231738	1	47	-1.0	-51.33	409.70	3.20	-48.13
CCN1N=C(C)C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1C(=O)OC	REAL300020231739	0	44	-1.0	-49.63	371.35	3.53	-46.10
CCN1N=C(C)C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1C(=O)OC	REAL300020231739	1	44	-1.0	-49.64	371.42	3.54	-46.10
CCN1N=C(C)C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1C(=O)OC	REAL300020231740	0	50	-1.0	-51.61	381.85	5.20	-46.41
CCN1N=C(C)C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1C(=O)OC	REAL300020231740	1	50	-1.0	-51.62	381.91	5.22	-46.40
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC(N2C=NN=N2)=CC=C1F	REAL300020231741	0	40	-1.0	-59.99	357.11	5.10	-54.89
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC(N2C=NN=N2)=CC=C1F	REAL300020231741	1	40	-1.0	-60.02	357.05	5.08	-54.94
O=C(NC1=CC(N2C=NN=N2)=CC=C1F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020231742	0	40	-1.0	-54.31	336.51	4.58	-49.73
O=C(NC1=CC(N2C=NN=N2)=CC=C1F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020231742	1	40	-1.0	-54.32	336.45	4.56	-49.76
O=C(NC1=CC(N2C=NN=N2)=CC=C1F)N1CCCC1C1=NN=N[N-]1	REAL300020231743	0	37	-1.0	-65.04	321.91	3.67	-61.37
O=C(NC1=CC(N2C=NN=N2)=CC=C1F)N1CCCC1C1=N[N-]N=N1	REAL300020231743	1	37	-1.0	-65.03	321.86	3.66	-61.37
CSCC[C@H](NC(=O)NC1=CC(N2C=NN=N2)=CC=C1F)C1=NN=N[N-]1	REAL300020231744	0	40	-1.0	-61.55	365.50	3.62	-57.93
CSCC[C@H](NC(=O)NC1=CC(N2C=NN=N2)=CC=C1F)C1=N[N-]N=N1	REAL300020231744	1	40	-1.0	-61.56	365.44	3.61	-57.95
O=C(NC1=CC(N2C=NN=N2)=CC=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020231745	0	37	-1.0	-55.70	323.34	3.71	-51.99
O=C(NC1=CC(N2C=NN=N2)=CC=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020231745	1	37	-1.0	-55.65	323.26	3.71	-51.94
O=C(NC1=CC(N2C=NN=N2)=CC=C1F)N1CCCCC1CC1=NN=N[N-]1	REAL300020231746	0	43	-1.0	-49.08	349.81	4.75	-44.33
O=C(NC1=CC(N2C=NN=N2)=CC=C1F)N1CCCCC1CC1=N[N-]N=N1	REAL300020231746	1	43	-1.0	-49.10	349.82	4.74	-44.36
O=C(NC1=CC=C(Br)C2=CC=CC=C12)N1CCCC1C1=N[N-]N=N1	REAL300020231747	0	38	-1.0	-52.65	330.30	6.33	-46.32
O=C(NC1=CC=C(Br)C2=CC=CC=C12)N1CCCC1C1=NN=N[N-]1	REAL300020231747	1	38	-1.0	-52.68	330.36	6.34	-46.34
O=C(NC1=CC=C(Br)C2=CC=CC=C12)N1CCC(C2=N[N-]N=N2)C1	REAL300020231748	0	38	-1.0	-43.33	331.80	6.37	-36.96
O=C(NC1=CC=C(Br)C2=CC=CC=C12)N1CCC(C2=NN=N[N-]2)C1	REAL300020231748	1	38	-1.0	-43.32	331.87	6.39	-36.93
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CN=C2CCOCC2=C1	REAL300020231749	0	42	-1.0	-42.52	351.23	3.09	-39.43
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CN=C2CCOCC2=C1	REAL300020231749	1	42	-1.0	-42.53	351.17	3.06	-39.47
O=C(NC1=CN=C2CCOCC2=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020231750	0	42	-1.0	-47.32	332.93	2.50	-44.82
O=C(NC1=CN=C2CCOCC2=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020231750	1	42	-1.0	-47.32	332.99	2.51	-44.81
O=C(NC1=CN=C2CCOCC2=C1)N1CCCC1C1=N[N-]N=N1	REAL300020231751	0	39	-1.0	-53.26	317.35	1.68	-51.58
O=C(NC1=CN=C2CCOCC2=C1)N1CCCC1C1=NN=N[N-]1	REAL300020231751	1	39	-1.0	-53.29	317.41	1.69	-51.60
CSCC[C@H](NC(=O)NC1=CN=C2CCOCC2=C1)C1=N[N-]N=N1	REAL300020231752	0	42	-1.0	-46.77	360.86	1.63	-45.14
CSCC[C@H](NC(=O)NC1=CN=C2CCOCC2=C1)C1=NN=N[N-]1	REAL300020231752	1	42	-1.0	-46.76	360.92	1.64	-45.12
O=C(NC1=CN=C2CCOCC2=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020231753	0	39	-1.0	-44.50	318.94	1.70	-42.80
O=C(NC1=CN=C2CCOCC2=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020231753	1	39	-1.0	-44.55	319.02	1.72	-42.83
O=C(NC1=CN=C2CCOCC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020231754	0	45	-1.0	-41.97	345.54	2.71	-39.26
O=C(NC1=CN=C2CCOCC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020231754	1	45	-1.0	-42.00	345.55	2.72	-39.28
COCCN1C=CC2=CC=C(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=C21	REAL300020231755	0	49	-1.0	-45.86	412.65	6.48	-39.38
COCCN1C=CC2=CC=C(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=C21	REAL300020231755	1	49	-1.0	-45.90	412.59	6.45	-39.45
COCCN1C=CC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C21	REAL300020231756	0	49	-1.0	-46.36	393.41	5.99	-40.37
COCCN1C=CC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C21	REAL300020231756	1	49	-1.0	-46.36	393.47	6.01	-40.35
COCCN1C=CC2=CC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=C21	REAL300020231757	0	46	-1.0	-57.92	377.84	5.11	-52.81
COCCN1C=CC2=CC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=C21	REAL300020231757	1	46	-1.0	-57.97	377.89	5.13	-52.84
COCCN1C=CC2=CC=C(NC(=O)N[C@@H](CCSC)C3=N[N-]N=N3)C=C21	REAL300020231758	0	49	-1.0	-53.52	421.33	5.07	-48.45
COCCN1C=CC2=CC=C(NC(=O)N[C@@H](CCSC)C3=NN=N[N-]3)C=C21	REAL300020231758	1	49	-1.0	-53.53	421.39	5.09	-48.44
COCCN1C=CC2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=C21	REAL300020231759	0	46	-1.0	-48.38	379.51	5.12	-43.26
COCCN1C=CC2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=C21	REAL300020231759	1	46	-1.0	-48.34	379.59	5.14	-43.20
COCCN1C=CC2=CC=C(NC(=O)N3CCCCC3CC3=N[N-]N=N3)C=C21	REAL300020231760	0	52	-1.0	-46.45	405.85	6.15	-40.30
COCCN1C=CC2=CC=C(NC(=O)N3CCCCC3CC3=NN=N[N-]3)C=C21	REAL300020231760	1	52	-1.0	-46.43	405.88	6.16	-40.27
O=C(NC1=CC(F)=C(N2CCCCC2)C(F)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020231761	0	50	-1.0	-43.32	389.69	5.85	-37.47
O=C(NC1=CC(F)=C(N2CCCCC2)C(F)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020231761	1	50	-1.0	-43.35	389.75	5.87	-37.48
O=C(NC1=CC(F)=C(N2CCCCC2)C(F)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020231762	0	47	-1.0	-51.55	374.39	4.94	-46.61
O=C(NC1=CC(F)=C(N2CCCCC2)C(F)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020231762	1	47	-1.0	-51.57	374.44	4.95	-46.62
O=C(NC1=CC(F)=C(N2CCCCC2)C(F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020231763	0	47	-1.0	-43.35	375.50	5.02	-38.33
O=C(NC1=CC(F)=C(N2CCCCC2)C(F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020231763	1	47	-1.0	-43.32	375.58	5.03	-38.29
COC1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC(OC)=C1C(C)C	REAL300020231764	0	52	-1.0	-44.82	415.29	5.85	-38.97
COC1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC(OC)=C1C(C)C	REAL300020231764	1	52	-1.0	-44.84	415.35	5.87	-38.97
COC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC(OC)=C1C(C)C	REAL300020231765	0	52	-1.0	-44.13	396.56	5.31	-38.82
COC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC(OC)=C1C(C)C	REAL300020231765	1	52	-1.0	-44.15	396.62	5.32	-38.83
COC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC(OC)=C1C(C)C	REAL300020231766	0	49	-1.0	-54.70	381.12	4.39	-50.31
COC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC(OC)=C1C(C)C	REAL300020231766	1	49	-1.0	-54.71	381.18	4.41	-50.30
COC1=CC(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=CC(OC)=C1C(C)C	REAL300020231767	0	52	-1.0	-46.83	424.81	4.34	-42.49
COC1=CC(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=CC(OC)=C1C(C)C	REAL300020231767	1	52	-1.0	-46.82	424.86	4.36	-42.46
COC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC(OC)=C1C(C)C	REAL300020231768	0	49	-1.0	-44.38	382.63	4.45	-39.93
COC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC(OC)=C1C(C)C	REAL300020231768	1	49	-1.0	-44.32	382.70	4.45	-39.87
COC1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC(OC)=C1C(C)C	REAL300020231769	0	55	-1.0	-42.52	409.03	5.47	-37.05
COC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC(OC)=C1C(C)C	REAL300020231769	1	55	-1.0	-42.48	409.07	5.48	-37.00
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC(CC1=CC=CC=C1)C(F)(F)F	REAL300020231770	0	44	-1.0	-42.65	383.96	6.91	-35.74
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC(CC1=CC=CC=C1)C(F)(F)F	REAL300020231770	1	44	-1.0	-42.63	384.02	6.94	-35.69
O=C(NC(CC1=CC=CC=C1)C(F)(F)F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020231771	0	44	-1.0	-44.78	364.44	6.51	-38.27
O=C(NC(CC1=CC=CC=C1)C(F)(F)F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020231771	1	44	-1.0	-44.82	364.50	6.52	-38.30
O=C(NC(CC1=CC=CC=C1)C(F)(F)F)N1CCCC1C1=N[N-]N=N1	REAL300020231772	0	41	-1.0	-52.89	349.33	5.53	-47.36
O=C(NC(CC1=CC=CC=C1)C(F)(F)F)N1CCCC1C1=NN=N[N-]1	REAL300020231772	1	41	-1.0	-52.88	349.39	5.55	-47.33
CSCC[C@H](NC(=O)NC(CC1=CC=CC=C1)C(F)(F)F)C1=N[N-]N=N1	REAL300020231773	0	44	-1.0	-48.44	392.94	5.50	-42.94
CSCC[C@H](NC(=O)NC(CC1=CC=CC=C1)C(F)(F)F)C1=NN=N[N-]1	REAL300020231773	1	44	-1.0	-48.41	393.00	5.51	-42.90
O=C(NC(CC1=CC=CC=C1)C(F)(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020231774	0	41	-1.0	-44.26	350.73	5.61	-38.65
O=C(NC(CC1=CC=CC=C1)C(F)(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020231774	1	41	-1.0	-44.30	350.80	5.61	-38.69
O=C(NC(CC1=CC=CC=C1)C(F)(F)F)N1CCCCC1CC1=N[N-]N=N1	REAL300020231775	0	47	-1.0	-48.09	373.60	7.35	-40.74
O=C(NC(CC1=CC=CC=C1)C(F)(F)F)N1CCCCC1CC1=NN=N[N-]1	REAL300020231775	1	47	-1.0	-48.10	373.66	7.34	-40.76
CC1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=NN1C1=CC=CC(F)=C1	REAL300020231776	0	45	-1.0	-45.85	387.90	7.46	-38.39
CC1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=NN1C1=CC=CC(F)=C1	REAL300020231776	1	45	-1.0	-45.79	387.84	7.43	-38.36
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=NN1C1=CC=CC(F)=C1	REAL300020231777	0	45	-1.0	-45.43	367.27	6.94	-38.49
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=NN1C1=CC=CC(F)=C1	REAL300020231777	1	45	-1.0	-45.45	367.33	6.96	-38.49
CC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=NN1C1=CC=CC(F)=C1	REAL300020231778	0	42	-1.0	-54.04	351.80	6.03	-48.01
CC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=NN1C1=CC=CC(F)=C1	REAL300020231778	1	42	-1.0	-54.09	351.86	6.05	-48.04
CSCC[C@H](NC(=O)NC1=NN(C2=CC=CC(F)=C2)C(C)=C1)C1=N[N-]N=N1	REAL300020231779	0	45	-1.0	-49.22	396.84	6.02	-43.20
CSCC[C@H](NC(=O)NC1=NN(C2=CC=CC(F)=C2)C(C)=C1)C1=NN=N[N-]1	REAL300020231779	1	45	-1.0	-49.22	396.90	6.03	-43.19
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=NN1C1=CC=CC(F)=C1	REAL300020231780	0	42	-1.0	-44.28	353.24	6.08	-38.20
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=NN1C1=CC=CC(F)=C1	REAL300020231780	1	42	-1.0	-44.34	353.32	6.10	-38.24
CC1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=NN1C1=CC=CC(F)=C1	REAL300020231781	0	48	-1.0	-52.48	377.27	7.97	-44.51
CC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=NN1C1=CC=CC(F)=C1	REAL300020231781	1	48	-1.0	-52.50	377.33	8.00	-44.50
CC1=CC=CC=C1N1N=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020231782	0	45	-1.0	-42.89	378.48	7.88	-35.01
CC1=CC=CC=C1N1N=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020231782	1	45	-1.0	-42.88	378.42	7.86	-35.02
CC1=CC=CC=C1N1N=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020231783	0	45	-1.0	-44.11	359.79	7.40	-36.71
CC1=CC=CC=C1N1N=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020231783	1	45	-1.0	-44.10	359.73	7.38	-36.72
CC1=CC=CC=C1N1N=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020231784	0	42	-1.0	-54.20	344.33	6.53	-47.67
CC1=CC=CC=C1N1N=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020231784	1	42	-1.0	-54.18	344.27	6.50	-47.68
CSCC[C@H](NC(=O)NC1=CC=NN1C1=CC=CC=C1C)C1=NN=N[N-]1	REAL300020231785	0	45	-1.0	-47.65	387.77	6.49	-41.16
CSCC[C@H](NC(=O)NC1=CC=NN1C1=CC=CC=C1C)C1=N[N-]N=N1	REAL300020231785	1	45	-1.0	-47.60	387.71	6.47	-41.13
CC1=CC=CC=C1N1N=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020231786	0	42	-1.0	-44.20	345.83	6.56	-37.64
CC1=CC=CC=C1N1N=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020231786	1	42	-1.0	-44.16	345.76	6.55	-37.61
CC1=CC=CC=C1N1N=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020231787	0	48	-1.0	-51.70	367.12	8.40	-43.30
CC1=CC=CC=C1N1N=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020231787	1	48	-1.0	-51.68	367.07	8.39	-43.29
CS(=O)(=O)CC1=NOC([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=N1	REAL300020231788	0	38	-2.0	-104.47	356.92	-2.57	-107.04
CS(=O)(=O)CC1=NOC([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=N1	REAL300020231788	1	38	-2.0	-104.45	356.98	-2.54	-106.99
CS(=O)(=O)CC1=NOC([N-]C(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020231789	0	38	-2.0	-107.96	339.96	-2.44	-110.40
CS(=O)(=O)CC1=NOC([N-]C(=O)N2CCC(C3=NN=N[N-]3)CC2)=N1	REAL300020231789	1	38	-2.0	-107.95	340.01	-2.43	-110.38
CS(=O)(=O)CC1=NOC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=N1	REAL300020231789	1	39	-1.0	-59.03	340.97	-1.16	-60.19
CS(=O)(=O)CC1=NOC([N-]C(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300020231790	0	35	-2.0	-130.36	324.15	-3.65	-134.01
CS(=O)(=O)CC1=NOC([N-]C(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL300020231790	1	35	-2.0	-130.36	324.21	-3.63	-133.99
CS(=O)(=O)CC1=NOC(NC(=O)N2CCCC2C2=N[N-]N=N2)=N1	REAL300020231790	1	36	-1.0	-68.79	325.56	-2.07	-70.86
CS(=O)(=O)CC1=NOC(NC(=O)N2CCCC2C2=NN=N[N-]2)=N1	REAL300020231790	1	36	-1.0	-68.76	325.62	-2.05	-70.81
CSCC[C@H](NC(=O)[N-]C1=NC(CS(C)(=O)=O)=NO1)C1=N[N-]N=N1	REAL300020231791	0	38	-2.0	-117.63	365.90	-3.90	-121.53
CSCC[C@H](NC(=O)[N-]C1=NC(CS(C)(=O)=O)=NO1)C1=NN=N[N-]1	REAL300020231791	1	38	-2.0	-117.64	365.96	-3.87	-121.51
CSCC[C@H](NC(=O)NC1=NC(CS(C)(=O)=O)=NO1)C1=N[N-]N=N1	REAL300020231791	1	39	-1.0	-59.30	369.15	-2.09	-61.39
CSCC[C@H](NC(=O)NC1=NC(CS(C)(=O)=O)=NO1)C1=NN=N[N-]1	REAL300020231791	1	39	-1.0	-59.34	369.21	-2.07	-61.41
CS(=O)(=O)CC1=NOC([N-]C(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020231792	0	35	-2.0	-107.17	324.89	-3.59	-110.76
CS(=O)(=O)CC1=NOC([N-]C(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020231792	1	35	-2.0	-107.16	324.96	-3.57	-110.73
CS(=O)(=O)CC1=NOC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=N1	REAL300020231792	1	36	-1.0	-57.27	327.01	-1.98	-59.25
CS(=O)(=O)CC1=NOC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=N1	REAL300020231792	1	36	-1.0	-57.31	327.09	-1.97	-59.28
CS(=O)(=O)CC1=NOC([N-]C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020231793	0	41	-2.0	-113.28	353.19	-2.03	-115.31
CS(=O)(=O)CC1=NOC([N-]C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020231793	1	41	-2.0	-113.22	353.26	-2.00	-115.22
CS(=O)(=O)CC1=NOC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020231793	1	42	-1.0	-64.36	349.21	-0.60	-64.96
CS(=O)(=O)CC1=NOC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020231793	1	42	-1.0	-64.32	349.26	-0.60	-64.92
O=C(NC1=CC=CC(C2=CC=C3OCCC3=C2)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020231794	0	50	-1.0	-46.43	394.02	7.58	-38.85
O=C(NC1=CC=CC(C2=CC=C3OCCC3=C2)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020231794	1	50	-1.0	-46.40	394.08	7.59	-38.81
O=C(NC1=CC=CC(C2=CC=C3OCCC3=C2)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020231795	0	47	-1.0	-55.52	378.94	6.62	-48.90
O=C(NC1=CC=CC(C2=CC=C3OCCC3=C2)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020231795	1	47	-1.0	-55.52	378.99	6.64	-48.88
O=C(NC1=CC=CC(C2=CC=C3OCCC3=C2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020231796	0	47	-1.0	-46.19	380.00	6.71	-39.48
O=C(NC1=CC=CC(C2=CC=C3OCCC3=C2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020231796	1	47	-1.0	-46.19	380.08	6.72	-39.47
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=NN1C1=CC(C)=CC(C)=C1	REAL300020231797	0	51	-1.0	-46.90	403.63	8.18	-38.72
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=NN1C1=CC(C)=CC(C)=C1	REAL300020231797	1	51	-1.0	-46.93	403.68	8.20	-38.73
CC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=NN1C1=CC(C)=CC(C)=C1	REAL300020231798	0	48	-1.0	-55.81	389.58	7.31	-48.50
CC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=NN1C1=CC(C)=CC(C)=C1	REAL300020231798	1	48	-1.0	-55.83	389.64	7.32	-48.51
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=NN1C1=CC(C)=CC(C)=C1	REAL300020231799	0	48	-1.0	-45.56	389.66	7.34	-38.22
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=NN1C1=CC(C)=CC(C)=C1	REAL300020231799	1	48	-1.0	-45.57	389.73	7.35	-38.22
CC1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=NN1C1=CC(C)=CC(C)=C1	REAL300020231800	0	54	-1.0	-52.61	412.20	9.19	-43.42
CC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=NN1C1=CC(C)=CC(C)=C1	REAL300020231800	1	54	-1.0	-52.60	412.25	9.20	-43.40
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=NN1C1=CC=CC(Cl)=C1	REAL300020231801	0	45	-1.0	-45.20	377.58	7.38	-37.82
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=NN1C1=CC=CC(Cl)=C1	REAL300020231801	1	45	-1.0	-45.17	377.64	7.40	-37.77
CC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=NN1C1=CC=CC(Cl)=C1	REAL300020231802	0	42	-1.0	-53.86	362.11	6.47	-47.39
CC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=NN1C1=CC=CC(Cl)=C1	REAL300020231802	1	42	-1.0	-53.84	362.17	6.50	-47.34
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=NN1C1=CC=CC(Cl)=C1	REAL300020231803	0	42	-1.0	-44.01	363.59	6.52	-37.49
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=NN1C1=CC=CC(Cl)=C1	REAL300020231803	1	42	-1.0	-44.01	363.66	6.54	-37.47
CCCC1=CN=C([N-]C(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)S1	REAL300020231804	0	39	-2.0	-90.85	351.25	4.55	-86.30
CCCC1=CN=C([N-]C(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)S1	REAL300020231804	1	39	-2.0	-90.83	351.20	4.52	-86.31
CCCC1=CN=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)S1	REAL300020231804	1	40	-1.0	-44.82	354.51	5.75	-39.07
CCCC1=CN=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)S1	REAL300020231804	1	40	-1.0	-44.81	354.45	5.73	-39.08
CCCC1=CN=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)S1	REAL300020231805	0	40	-1.0	-46.94	335.30	5.26	-41.68
CCCC1=CN=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)S1	REAL300020231805	1	40	-1.0	-46.91	335.25	5.24	-41.67
CCCC1=CN=C(NC(=O)N2CCCC2C2=NN=N[N-]2)S1	REAL300020231806	0	37	-1.0	-58.40	319.88	4.36	-54.04
CCCC1=CN=C(NC(=O)N2CCCC2C2=N[N-]N=N2)S1	REAL300020231806	1	37	-1.0	-58.45	319.82	4.33	-54.12
CCCC1=CN=C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)S1	REAL300020231807	0	40	-1.0	-50.73	363.49	4.33	-46.40
CCCC1=CN=C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)S1	REAL300020231807	1	40	-1.0	-50.72	363.43	4.31	-46.41
CCCC1=CN=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)S1	REAL300020231808	0	37	-1.0	-47.38	321.36	4.41	-42.97
CCCC1=CN=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)S1	REAL300020231808	1	37	-1.0	-47.40	321.28	4.40	-43.00
CCCC1=CN=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020231809	0	43	-1.0	-53.89	343.55	6.12	-47.77
CCCC1=CN=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020231809	1	43	-1.0	-53.93	343.50	6.12	-47.81
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CN=C2CCCC2=C1	REAL300020231810	0	41	-1.0	-42.89	343.71	4.87	-38.02
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CN=C2CCCC2=C1	REAL300020231810	1	41	-1.0	-42.90	343.65	4.84	-38.06
O=C(NC1=CN=C2CCCC2=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020231811	0	41	-1.0	-44.18	324.47	4.36	-39.82
O=C(NC1=CN=C2CCCC2=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020231811	1	41	-1.0	-44.20	324.53	4.37	-39.83
CSCC[C@H](NC(=O)NC1=CN=C2CCCC2=C1)C1=N[N-]N=N1	REAL300020231812	0	41	-1.0	-47.67	352.47	3.45	-44.22
CSCC[C@H](NC(=O)NC1=CN=C2CCCC2=C1)C1=NN=N[N-]1	REAL300020231812	1	41	-1.0	-47.66	352.53	3.47	-44.19
O=C(NC1=CN=C2CCCC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020231813	0	44	-1.0	-43.53	338.93	4.52	-39.01
O=C(NC1=CN=C2CCCC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020231813	1	44	-1.0	-43.55	338.97	4.53	-39.02
CC1=NN(C2CC3CCC2C3)C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1	REAL300020231814	0	52	-1.0	-49.75	410.20	8.05	-41.70
CC1=NN(C2CC3CCC2C3)C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1	REAL300020231814	1	52	-1.0	-49.72	410.26	8.08	-41.64
CC1=NN(C2CC3CCC2C3)C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020231815	0	52	-1.0	-44.12	391.27	7.56	-36.56
CC1=NN(C2CC3CCC2C3)C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020231815	1	52	-1.0	-44.17	391.33	7.58	-36.59
CC1=NN(C2CC3CCC2C3)C(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020231816	0	49	-1.0	-54.52	375.55	6.68	-47.84
CC1=NN(C2CC3CCC2C3)C(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020231816	1	49	-1.0	-54.52	375.61	6.69	-47.83
CSCC[C@H](NC(=O)NC1=CC(C)=NN1C1CC2CCC1C2)C1=N[N-]N=N1	REAL300020231817	0	52	-1.0	-47.05	419.17	6.64	-40.41
CSCC[C@H](NC(=O)NC1=CC(C)=NN1C1CC2CCC1C2)C1=NN=N[N-]1	REAL300020231817	1	52	-1.0	-47.04	419.22	6.65	-40.39
CC1=NN(C2CC3CCC2C3)C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020231818	0	49	-1.0	-44.05	377.18	6.73	-37.32
CC1=NN(C2CC3CCC2C3)C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020231818	1	49	-1.0	-44.09	377.25	6.74	-37.35
CC1=NN(C2CC3CCC2C3)C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020231819	0	55	-1.0	-51.36	399.04	8.48	-42.88
CC1=NN(C2CC3CCC2C3)C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020231819	1	55	-1.0	-51.33	399.08	8.48	-42.85
CSC1=CC=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1C	REAL300020231820	0	42	-1.0	-48.58	357.93	6.60	-41.98
CSC1=CC=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1C	REAL300020231820	1	42	-1.0	-48.57	357.87	6.57	-42.00
CSC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1C	REAL300020231821	0	42	-1.0	-43.50	338.60	6.10	-37.40
CSC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1C	REAL300020231821	1	42	-1.0	-43.48	338.66	6.12	-37.36
CSC1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1C	REAL300020231822	0	39	-1.0	-53.12	323.69	5.14	-47.98
CSC1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1C	REAL300020231822	1	39	-1.0	-53.12	323.75	5.16	-47.96
CSCC[C@H](NC(=O)NC1=CC=CC(SC)=C1C)C1=N[N-]N=N1	REAL300020231823	0	42	-1.0	-46.11	367.09	5.12	-40.99
CSCC[C@H](NC(=O)NC1=CC=CC(SC)=C1C)C1=NN=N[N-]1	REAL300020231823	1	42	-1.0	-46.08	367.15	5.13	-40.95
CSC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1C	REAL300020231824	0	39	-1.0	-43.37	324.94	5.22	-38.15
CSC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1C	REAL300020231824	1	39	-1.0	-43.35	325.02	5.24	-38.11
CSC1=CC=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1C	REAL300020231825	0	45	-1.0	-49.31	347.23	6.94	-42.37
CSC1=CC=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1C	REAL300020231825	1	45	-1.0	-49.27	347.28	6.94	-42.33
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=NC(OCC(F)(F)F)=C1	REAL300020231826	0	41	-1.0	-45.42	371.63	2.90	-42.52
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=NC(OCC(F)(F)F)=C1	REAL300020231826	1	41	-1.0	-45.47	371.57	2.87	-42.60
O=C(NC1=CC=NC(OCC(F)(F)F)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020231827	0	41	-1.0	-43.22	352.65	2.41	-40.81
O=C(NC1=CC=NC(OCC(F)(F)F)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020231827	1	41	-1.0	-43.16	352.59	2.39	-40.77
O=C(NC1=CC=NC(OCC(F)(F)F)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020231828	0	38	-1.0	-56.18	337.36	1.50	-54.68
O=C(NC1=CC=NC(OCC(F)(F)F)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020231828	1	38	-1.0	-56.18	337.30	1.48	-54.70
CSCC[C@H](NC(=O)NC1=CC=NC(OCC(F)(F)F)=C1)C1=NN=N[N-]1	REAL300020231829	0	41	-1.0	-44.35	380.85	1.46	-42.89
CSCC[C@H](NC(=O)NC1=CC=NC(OCC(F)(F)F)=C1)C1=N[N-]N=N1	REAL300020231829	1	41	-1.0	-44.37	380.79	1.44	-42.93
O=C(NC1=CC=NC(OCC(F)(F)F)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020231830	0	38	-1.0	-47.74	338.74	1.55	-46.19
O=C(NC1=CC=NC(OCC(F)(F)F)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020231830	1	38	-1.0	-47.73	338.67	1.55	-46.18
O=C(NC1=CC=NC(OCC(F)(F)F)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020231831	0	44	-1.0	-39.77	365.37	2.57	-37.20
O=C(NC1=CC=NC(OCC(F)(F)F)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020231831	1	44	-1.0	-39.80	365.34	2.56	-37.24
CC(C)OC1=CC(F)=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020231832	0	45	-1.0	-40.19	377.02	5.83	-34.36
CC(C)OC1=CC(F)=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020231832	1	45	-1.0	-40.16	376.96	5.80	-34.36
CC(C)OC1=CC(F)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020231833	0	45	-1.0	-41.93	360.71	5.41	-36.52
CC(C)OC1=CC(F)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020231833	1	45	-1.0	-41.93	360.76	5.42	-36.51
CC(C)OC1=CC(F)=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020231834	0	42	-1.0	-51.00	344.80	4.51	-46.49
CC(C)OC1=CC(F)=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020231834	1	42	-1.0	-51.02	344.86	4.52	-46.50
CSCC[C@H](NC(=O)NC1=CC=C(F)C=C1OC(C)C)C1=N[N-]N=N1	REAL300020231835	0	45	-1.0	-44.80	387.84	4.43	-40.37
CSCC[C@H](NC(=O)NC1=CC=C(F)C=C1OC(C)C)C1=NN=N[N-]1	REAL300020231835	1	45	-1.0	-44.83	387.90	4.44	-40.39
CC(C)OC1=CC(F)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020231836	0	42	-1.0	-41.63	345.66	4.51	-37.12
CC(C)OC1=CC(F)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020231836	1	42	-1.0	-41.66	345.74	4.52	-37.14
CC(C)OC1=CC(F)=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020231837	0	48	-1.0	-41.85	372.66	5.53	-36.32
CC(C)OC1=CC(F)=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020231837	1	48	-1.0	-41.80	372.71	5.55	-36.25
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=NN1C1=CC=CC=C1Cl	REAL300020231838	0	45	-1.0	-48.82	377.55	7.62	-41.20
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=NN1C1=CC=CC=C1Cl	REAL300020231838	1	45	-1.0	-48.82	377.61	7.63	-41.19
CC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=NN1C1=CC=CC=C1Cl	REAL300020231839	0	42	-1.0	-57.77	362.17	6.70	-51.07
CC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=NN1C1=CC=CC=C1Cl	REAL300020231839	1	42	-1.0	-57.82	362.23	6.72	-51.10
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=NN1C1=CC=CC=C1Cl	REAL300020231840	0	42	-1.0	-47.07	363.62	6.76	-40.31
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=NN1C1=CC=CC=C1Cl	REAL300020231840	1	42	-1.0	-47.09	363.70	6.76	-40.33
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=NC(OC2CCCCC2)=C1	REAL300020231841	0	51	-1.0	-41.27	413.81	5.29	-35.98
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=NC(OC2CCCCC2)=C1	REAL300020231841	1	51	-1.0	-41.28	413.76	5.27	-36.01
O=C(NC1=CC=NC(OC2CCCCC2)=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020231842	0	51	-1.0	-41.92	393.84	4.85	-37.07
O=C(NC1=CC=NC(OC2CCCCC2)=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020231842	1	51	-1.0	-41.91	393.78	4.83	-37.08
O=C(NC1=CC=NC(OC2CCCCC2)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020231843	0	48	-1.0	-57.20	379.55	3.88	-53.32
O=C(NC1=CC=NC(OC2CCCCC2)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020231843	1	48	-1.0	-57.22	379.49	3.87	-53.35
CSCC[C@H](NC(=O)NC1=CC=NC(OC2CCCCC2)=C1)C1=NN=N[N-]1	REAL300020231844	0	51	-1.0	-49.57	423.04	3.84	-45.73
CSCC[C@H](NC(=O)NC1=CC=NC(OC2CCCCC2)=C1)C1=N[N-]N=N1	REAL300020231844	1	51	-1.0	-49.57	422.98	3.82	-45.75
O=C(NC1=CC=NC(OC2CCCCC2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020231845	0	48	-1.0	-47.41	380.92	3.94	-43.47
O=C(NC1=CC=NC(OC2CCCCC2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020231845	1	48	-1.0	-47.43	380.85	3.92	-43.51
O=C(NC1=CC=NC(OC2CCCCC2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020231846	0	54	-1.0	-41.99	409.25	4.96	-37.03
O=C(NC1=CC=NC(OC2CCCCC2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020231846	1	54	-1.0	-42.00	409.20	4.94	-37.06
CC1=NC(Br)=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020231847	0	37	-1.0	-43.04	338.14	4.41	-38.63
CC1=NC(Br)=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020231847	1	37	-1.0	-43.00	338.19	4.43	-38.57
CC1=NC(Br)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020231848	0	37	-1.0	-41.62	316.61	3.79	-37.83
CC1=NC(Br)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020231848	1	37	-1.0	-41.68	316.67	3.80	-37.88
CC1=NC(Br)=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020231849	0	34	-1.0	-49.93	302.88	2.95	-46.98
CC1=NC(Br)=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020231849	1	34	-1.0	-49.95	302.94	2.98	-46.97
CSCC[C@H](NC(=O)NC1=CC=C(Br)N=C1C)C1=N[N-]N=N1	REAL300020231850	0	37	-1.0	-43.83	346.40	2.91	-40.92
CSCC[C@H](NC(=O)NC1=CC=C(Br)N=C1C)C1=NN=N[N-]1	REAL300020231850	1	37	-1.0	-43.83	346.46	2.92	-40.91
CC1=NC(Br)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020231851	0	34	-1.0	-42.08	304.24	3.01	-39.07
CC1=NC(Br)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020231851	1	34	-1.0	-42.12	304.32	3.02	-39.10
CC1=NC(Br)=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020231852	0	40	-1.0	-46.63	324.56	4.68	-41.95
CC1=NC(Br)=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020231852	1	40	-1.0	-46.61	324.61	4.69	-41.92
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=C(F)C=C1OCC(F)F	REAL300020231853	0	42	-1.0	-50.39	371.95	5.50	-44.89
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=C(F)C=C1OCC(F)F	REAL300020231853	1	42	-1.0	-50.36	372.01	5.52	-44.84
O=C(NC1=CC=C(F)C=C1OCC(F)F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020231854	0	42	-1.0	-45.52	353.91	5.02	-40.50
O=C(NC1=CC=C(F)C=C1OCC(F)F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020231854	1	42	-1.0	-45.56	353.97	5.03	-40.53
O=C(NC1=CC=C(F)C=C1OCC(F)F)N1CCCC1C1=N[N-]N=N1	REAL300020231855	0	39	-1.0	-55.36	338.60	4.10	-51.26
O=C(NC1=CC=C(F)C=C1OCC(F)F)N1CCCC1C1=NN=N[N-]1	REAL300020231855	1	39	-1.0	-55.35	338.65	4.13	-51.22
CSCC[C@H](NC(=O)NC1=CC=C(F)C=C1OCC(F)F)C1=N[N-]N=N1	REAL300020231856	0	42	-1.0	-49.02	381.31	4.06	-44.96
CSCC[C@H](NC(=O)NC1=CC=C(F)C=C1OCC(F)F)C1=NN=N[N-]1	REAL300020231856	1	42	-1.0	-49.02	381.37	4.08	-44.94
O=C(NC1=CC=C(F)C=C1OCC(F)F)N1CCC(C2=N[N-]N=N2)C1	REAL300020231857	0	39	-1.0	-45.64	339.17	4.17	-41.47
O=C(NC1=CC=C(F)C=C1OCC(F)F)N1CCC(C2=NN=N[N-]2)C1	REAL300020231857	1	39	-1.0	-45.66	339.25	4.19	-41.47
O=C(NC1=CC=C(F)C=C1OCC(F)F)N1CCCCC1CC1=N[N-]N=N1	REAL300020231858	0	45	-1.0	-44.73	365.55	5.27	-39.46
O=C(NC1=CC=C(F)C=C1OCC(F)F)N1CCCCC1CC1=NN=N[N-]1	REAL300020231858	1	45	-1.0	-44.73	365.54	5.27	-39.46
O=C(NC1=CC=C(COC2=CC=CC=C2)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020231859	0	49	-1.0	-45.99	393.86	7.61	-38.38
O=C(NC1=CC=C(COC2=CC=CC=C2)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020231859	1	49	-1.0	-46.00	393.92	7.63	-38.37
O=C(NC1=CC=C(COC2=CC=CC=C2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020231860	0	46	-1.0	-54.49	380.02	6.65	-47.84
O=C(NC1=CC=C(COC2=CC=CC=C2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020231860	1	46	-1.0	-54.52	380.08	6.67	-47.85
CSCC[C@H](NC(=O)NC1=CC=C(COC2=CC=CC=C2)C=C1)C1=N[N-]N=N1	REAL300020231861	0	49	-1.0	-50.74	423.55	6.61	-44.13
CSCC[C@H](NC(=O)NC1=CC=C(COC2=CC=CC=C2)C=C1)C1=NN=N[N-]1	REAL300020231861	1	49	-1.0	-50.74	423.61	6.63	-44.11
O=C(NC1=CC=C(COC2=CC=CC=C2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020231862	0	46	-1.0	-45.84	381.14	6.73	-39.11
O=C(NC1=CC=C(COC2=CC=CC=C2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020231862	1	46	-1.0	-45.84	381.22	6.73	-39.11
O=C(NC1=CC=C(COC2=CC=CC=C2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020231863	0	52	-1.0	-54.07	404.00	8.57	-45.50
O=C(NC1=CC=C(COC2=CC=CC=C2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020231863	1	52	-1.0	-54.12	404.05	8.57	-45.55
CN1C=NN(C2=CC=C(NC(=O)NC3=CC=CC(CC4=NN=N[N-]4)=C3)C=C2)C1=O	REAL300020231864	0	45	-1.0	-63.33	386.44	7.02	-56.31
CN1C=NN(C2=CC=C(NC(=O)NC3=CC=CC(CC4=N[N-]N=N4)=C3)C=C2)C1=O	REAL300020231864	1	45	-1.0	-63.30	386.38	6.99	-56.31
CN1C=NN(C2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C=C2)C1=O	REAL300020231865	0	45	-1.0	-53.33	367.39	6.54	-46.79
CN1C=NN(C2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C=C2)C1=O	REAL300020231865	1	45	-1.0	-53.32	367.45	6.56	-46.76
CN1C=NN(C2=CC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C=C2)C1=O	REAL300020231866	0	42	-1.0	-67.03	351.88	5.62	-61.41
CN1C=NN(C2=CC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C=C2)C1=O	REAL300020231866	1	42	-1.0	-67.01	351.94	5.64	-61.37
CSCC[C@H](NC(=O)NC1=CC=C(N2N=CN(C)C2=O)C=C1)C1=N[N-]N=N1	REAL300020231867	0	45	-1.0	-63.57	395.41	5.59	-57.98
CSCC[C@H](NC(=O)NC1=CC=C(N2N=CN(C)C2=O)C=C1)C1=NN=N[N-]1	REAL300020231867	1	45	-1.0	-63.61	395.47	5.60	-58.01
CN1C=NN(C2=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C=C2)C1=O	REAL300020231868	0	42	-1.0	-57.71	353.26	5.68	-52.03
CN1C=NN(C2=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C=C2)C1=O	REAL300020231868	1	42	-1.0	-57.70	353.33	5.69	-52.01
CN1C=NN(C2=CC=C(NC(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2)C1=O	REAL300020231869	0	48	-1.0	-68.35	372.75	7.50	-60.85
CN1C=NN(C2=CC=C(NC(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2)C1=O	REAL300020231869	1	48	-1.0	-68.34	372.79	7.51	-60.83
O=C(NC1=CC=C(C2CC2)C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020231870	0	42	-1.0	-42.05	352.36	6.90	-35.15
O=C(NC1=CC=C(C2CC2)C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020231870	1	42	-1.0	-42.06	352.30	6.87	-35.19
O=C(NC1=CC=C(C2CC2)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020231871	0	42	-1.0	-43.98	333.26	6.39	-37.59
O=C(NC1=CC=C(C2CC2)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020231871	1	42	-1.0	-43.96	333.31	6.40	-37.56
CSCC[C@H](NC(=O)NC1=CC=C(C2CC2)C=C1)C1=N[N-]N=N1	REAL300020231872	0	42	-1.0	-48.06	361.22	5.46	-42.60
CSCC[C@H](NC(=O)NC1=CC=C(C2CC2)C=C1)C1=NN=N[N-]1	REAL300020231872	1	42	-1.0	-48.07	361.27	5.47	-42.60
O=C(NC1=CC=C(C2CC2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020231873	0	45	-1.0	-41.53	345.82	6.56	-34.97
O=C(NC1=CC=C(C2CC2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020231873	1	45	-1.0	-41.49	345.83	6.57	-34.92
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=C(F)C=C(Cl)C=C1F	REAL300020231874	0	35	-1.0	-43.85	330.97	5.48	-38.37
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=C(F)C=C(Cl)C=C1F	REAL300020231874	1	35	-1.0	-43.89	330.91	5.45	-38.44
O=C(NC1=C(F)C=C(Cl)C=C1F)N1CCC(C2=N[N-]N=N2)CC1	REAL300020231875	0	35	-1.0	-42.64	311.95	4.94	-37.70
O=C(NC1=C(F)C=C(Cl)C=C1F)N1CCC(C2=NN=N[N-]2)CC1	REAL300020231875	1	35	-1.0	-42.71	312.01	4.96	-37.75
O=C(NC1=C(F)C=C(Cl)C=C1F)N1CCCC1C1=N[N-]N=N1	REAL300020231876	0	32	-1.0	-52.95	302.33	4.14	-48.81
O=C(NC1=C(F)C=C(Cl)C=C1F)N1CCCC1C1=NN=N[N-]1	REAL300020231876	1	32	-1.0	-52.95	302.39	4.15	-48.80
CSCC[C@H](NC(=O)NC1=C(F)C=C(Cl)C=C1F)C1=N[N-]N=N1	REAL300020231877	0	35	-1.0	-46.53	345.80	4.13	-42.40
CSCC[C@H](NC(=O)NC1=C(F)C=C(Cl)C=C1F)C1=NN=N[N-]1	REAL300020231877	1	35	-1.0	-46.55	345.85	4.15	-42.40
O=C(NC1=C(F)C=C(Cl)C=C1F)N1CCC(C2=N[N-]N=N2)C1	REAL300020231878	0	32	-1.0	-43.37	303.63	4.21	-39.16
O=C(NC1=C(F)C=C(Cl)C=C1F)N1CCC(C2=NN=N[N-]2)C1	REAL300020231878	1	32	-1.0	-43.39	303.71	4.23	-39.16
O=C(NC1=C(F)C=C(Cl)C=C1F)N1CCCCC1CC1=N[N-]N=N1	REAL300020231879	0	38	-1.0	-46.85	320.57	5.85	-41.00
O=C(NC1=C(F)C=C(Cl)C=C1F)N1CCCCC1CC1=NN=N[N-]1	REAL300020231879	1	38	-1.0	-46.87	320.56	5.86	-41.01
CC1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=CC=C1[N+](=O)[O-]	REAL300020231880	0	40	-1.0	-55.91	347.35	5.98	-49.93
CC1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=CC=C1[N+](=O)[O-]	REAL300020231880	1	40	-1.0	-55.90	347.29	5.95	-49.95
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=CC=C1[N+](=O)[O-]	REAL300020231881	0	40	-1.0	-44.55	328.48	5.45	-39.10
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=CC=C1[N+](=O)[O-]	REAL300020231881	1	40	-1.0	-44.55	328.54	5.46	-39.09
CC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1[N+](=O)[O-]	REAL300020231882	0	37	-1.0	-51.58	312.29	4.60	-46.98
CC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1[N+](=O)[O-]	REAL300020231882	1	37	-1.0	-51.59	312.35	4.61	-46.98
CSCC[C@H](NC(=O)NC1=CC=C([N+](=O)[O-])C(C)=C1)C1=N[N-]N=N1	REAL300020231883	0	40	-1.0	-45.32	356.57	4.51	-40.81
CSCC[C@H](NC(=O)NC1=CC=C([N+](=O)[O-])C(C)=C1)C1=NN=N[N-]1	REAL300020231883	1	40	-1.0	-45.33	356.63	4.52	-40.81
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=CC=C1[N+](=O)[O-]	REAL300020231884	0	37	-1.0	-44.82	314.09	4.62	-40.20
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=CC=C1[N+](=O)[O-]	REAL300020231884	1	37	-1.0	-44.83	314.16	4.64	-40.19
CC1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1[N+](=O)[O-]	REAL300020231885	0	43	-1.0	-48.32	336.25	6.37	-41.95
CC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1[N+](=O)[O-]	REAL300020231885	1	43	-1.0	-48.33	336.30	6.37	-41.96
CC1=CC=CC(F)=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020231886	0	38	-1.0	-49.04	327.50	5.80	-43.24
CC1=CC=CC(F)=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020231886	1	38	-1.0	-49.02	327.45	5.77	-43.25
CC1=CC=CC(F)=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020231887	0	38	-1.0	-48.55	308.67	5.27	-43.28
CC1=CC=CC(F)=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020231887	1	38	-1.0	-48.51	308.73	5.29	-43.22
CSCC[C@H](NC(=O)NC1=C(C)C=CC=C1F)C1=N[N-]N=N1	REAL300020231888	0	38	-1.0	-48.18	342.27	4.37	-43.81
CSCC[C@H](NC(=O)NC1=C(C)C=CC=C1F)C1=NN=N[N-]1	REAL300020231888	1	38	-1.0	-48.16	342.33	4.38	-43.78
CC1=CC=CC(F)=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020231889	0	41	-1.0	-49.18	315.81	5.46	-43.72
CC1=CC=CC(F)=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020231889	1	41	-1.0	-49.18	315.85	5.48	-43.70
CCOC(=O)C1=CN(C)N=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020231890	0	44	-1.0	-50.09	383.19	5.46	-44.63
CCOC(=O)C1=CN(C)N=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020231890	1	44	-1.0	-50.11	383.13	5.44	-44.67
CCOC(=O)C1=CN(C)N=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020231891	0	44	-1.0	-51.99	363.98	4.98	-47.01
CCOC(=O)C1=CN(C)N=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020231891	1	44	-1.0	-51.93	363.92	4.96	-46.97
CCOC(=O)C1=CN(C)N=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020231892	0	41	-1.0	-62.39	348.54	4.08	-58.31
CCOC(=O)C1=CN(C)N=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020231892	1	41	-1.0	-62.42	348.49	4.07	-58.35
CCOC(=O)C1=CN(C)N=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020231893	0	44	-1.0	-55.61	392.16	4.04	-51.57
CCOC(=O)C1=CN(C)N=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020231893	1	44	-1.0	-55.65	392.11	4.02	-51.63
CCOC(=O)C1=CN(C)N=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020231894	0	41	-1.0	-51.22	350.02	4.15	-47.07
CCOC(=O)C1=CN(C)N=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020231894	1	41	-1.0	-51.24	349.95	4.13	-47.11
CCOC(=O)C1=CN(C)N=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020231895	0	47	-1.0	-57.77	372.46	5.86	-51.91
CCOC(=O)C1=CN(C)N=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020231895	1	47	-1.0	-57.74	372.41	5.85	-51.89
CCS(=O)(=O)C1=CC(F)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020231896	0	44	-1.0	-48.91	363.34	3.23	-45.68
CCS(=O)(=O)C1=CC(F)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020231896	1	44	-1.0	-48.95	363.40	3.24	-45.71
CCS(=O)(=O)C1=CC(F)=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020231897	0	41	-1.0	-47.90	349.92	2.52	-45.38
CCS(=O)(=O)C1=CC(F)=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020231897	1	41	-1.0	-47.88	349.98	2.55	-45.33
CCS(=O)(=O)C1=CC(F)=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020231898	0	41	-1.0	-43.08	351.28	2.59	-40.49
CCS(=O)(=O)C1=CC(F)=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020231898	1	41	-1.0	-43.01	351.35	2.60	-40.41
CCS(=O)(=O)C1=CC(F)=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020231899	0	47	-1.0	-45.85	373.72	4.43	-41.42
CCS(=O)(=O)C1=CC(F)=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020231899	1	47	-1.0	-45.86	373.78	4.43	-41.43
O=C(NC1=NN(C2=CC=C(Cl)C=C2Cl)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020231900	0	39	-1.0	-52.67	360.37	6.81	-45.86
O=C(NC1=NN(C2=CC=C(Cl)C=C2Cl)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020231900	1	39	-1.0	-52.67	360.31	6.79	-45.88
O=C(NC1=NN(C2=CC=C(Cl)C=C2Cl)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020231901	0	39	-1.0	-44.16	361.85	6.87	-37.29
O=C(NC1=NN(C2=CC=C(Cl)C=C2Cl)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020231901	1	39	-1.0	-44.12	361.78	6.85	-37.27
O=C(NC1=CC=C(C2=CC=CN2)C=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020231902	0	43	-1.0	-44.55	365.44	6.23	-38.32
O=C(NC1=CC=C(C2=CC=CN2)C=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020231902	1	43	-1.0	-44.55	365.38	6.21	-38.34
O=C(NC1=CC=C(C2=CC=CN2)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020231903	0	43	-1.0	-47.12	346.43	5.71	-41.41
O=C(NC1=CC=C(C2=CC=CN2)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020231903	1	43	-1.0	-47.12	346.49	5.73	-41.39
O=C(NC1=CC=C(C2=CC=CN2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020231904	0	40	-1.0	-54.49	331.00	4.78	-49.71
O=C(NC1=CC=C(C2=CC=CN2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020231904	1	40	-1.0	-54.50	331.06	4.80	-49.70
CSCC[C@H](NC(=O)NC1=CC=C(C2=CC=CN2)C=C1)C1=N[N-]N=N1	REAL300020231905	0	43	-1.0	-49.17	374.26	4.80	-44.37
CSCC[C@H](NC(=O)NC1=CC=C(C2=CC=CN2)C=C1)C1=NN=N[N-]1	REAL300020231905	1	43	-1.0	-49.14	374.32	4.81	-44.33
O=C(NC1=CC=C(C2=CC=CN2)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020231906	0	40	-1.0	-45.39	332.39	4.85	-40.54
O=C(NC1=CC=C(C2=CC=CN2)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020231906	1	40	-1.0	-45.47	332.46	4.86	-40.61
O=C(NC1=CC=C(C2=CC=CN2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020231907	0	46	-1.0	-53.30	354.65	6.74	-46.56
O=C(NC1=CC=C(C2=CC=CN2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020231907	1	46	-1.0	-53.34	354.69	6.75	-46.59
CN1C=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(C2=CC=CC=C2)=N1	REAL300020231908	0	45	-1.0	-43.16	382.09	6.28	-36.88
CN1C=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(C2=CC=CC=C2)=N1	REAL300020231908	1	45	-1.0	-43.13	382.04	6.25	-36.88
CN1C=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(C2=CC=CC=C2)=N1	REAL300020231909	0	45	-1.0	-44.72	362.88	5.80	-38.92
CN1C=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(C2=CC=CC=C2)=N1	REAL300020231909	1	45	-1.0	-44.74	362.82	5.79	-38.95
CN1C=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C(C2=CC=CC=C2)=N1	REAL300020231910	0	42	-1.0	-53.87	347.41	4.90	-48.97
CN1C=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C(C2=CC=CC=C2)=N1	REAL300020231910	1	42	-1.0	-53.90	347.35	4.89	-49.01
CSCC[C@H](NC(=O)NC1=CN(C)N=C1C1=CC=CC=C1)C1=NN=N[N-]1	REAL300020231911	0	45	-1.0	-46.83	391.07	4.86	-41.97
CSCC[C@H](NC(=O)NC1=CN(C)N=C1C1=CC=CC=C1)C1=N[N-]N=N1	REAL300020231911	1	45	-1.0	-46.82	391.02	4.85	-41.97
CN1C=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C(C2=CC=CC=C2)=N1	REAL300020231912	0	42	-1.0	-44.29	348.95	4.94	-39.35
CN1C=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C(C2=CC=CC=C2)=N1	REAL300020231912	1	42	-1.0	-44.27	348.87	4.92	-39.35
CN1C=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C(C2=CC=CC=C2)=N1	REAL300020231913	0	48	-1.0	-50.24	371.46	6.79	-43.45
CN1C=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C(C2=CC=CC=C2)=N1	REAL300020231913	1	48	-1.0	-50.24	371.41	6.78	-43.46
CC1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=NN1C1=CC=CC=C1	REAL300020231914	0	45	-1.0	-45.05	380.07	7.37	-37.68
CC1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=NN1C1=CC=CC=C1	REAL300020231914	1	45	-1.0	-45.05	380.01	7.34	-37.71
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=NN1C1=CC=CC=C1	REAL300020231915	0	45	-1.0	-46.67	362.19	6.91	-39.76
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=NN1C1=CC=CC=C1	REAL300020231915	1	45	-1.0	-46.64	362.25	6.93	-39.71
CC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=NN1C1=CC=CC=C1	REAL300020231916	0	42	-1.0	-55.65	345.37	5.96	-49.69
CC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=NN1C1=CC=CC=C1	REAL300020231916	1	42	-1.0	-55.64	345.43	5.96	-49.68
CSCC[C@H](NC(=O)NC1=NN(C2=CC=CC=C2)C(C)=C1)C1=N[N-]N=N1	REAL300020231917	0	45	-1.0	-49.61	388.99	5.93	-43.68
CSCC[C@H](NC(=O)NC1=NN(C2=CC=CC=C2)C(C)=C1)C1=NN=N[N-]1	REAL300020231917	1	45	-1.0	-49.60	389.05	5.94	-43.66
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=NN1C1=CC=CC=C1	REAL300020231918	0	42	-1.0	-45.77	348.28	6.04	-39.73
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=NN1C1=CC=CC=C1	REAL300020231918	1	42	-1.0	-45.78	348.35	6.05	-39.73
CC1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=NN1C1=CC=CC=C1	REAL300020231919	0	48	-1.0	-51.64	368.84	7.77	-43.87
CC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=NN1C1=CC=CC=C1	REAL300020231919	1	48	-1.0	-51.63	368.88	7.77	-43.86
CCN1N=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020231920	0	38	-1.0	-42.83	325.26	4.34	-38.49
CCN1N=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020231920	1	38	-1.0	-42.77	325.20	4.31	-38.46
CCN1N=CC=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020231921	0	38	-1.0	-46.91	334.22	2.91	-44.00
CCN1N=CC=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020231921	1	38	-1.0	-46.93	334.17	2.90	-44.03
CCN1N=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020231922	0	41	-1.0	-50.93	314.61	4.85	-46.08
CCN1N=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020231922	1	41	-1.0	-50.93	314.56	4.84	-46.09
O=C(NC1=CC=NN1CC1=CC=CO1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020231923	0	42	-1.0	-43.81	365.91	5.47	-38.34
O=C(NC1=CC=NN1CC1=CC=CO1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020231923	1	42	-1.0	-43.80	365.85	5.44	-38.36
O=C(NC1=CC=NN1CC1=CC=CO1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020231924	0	42	-1.0	-45.12	346.72	4.98	-40.14
O=C(NC1=CC=NN1CC1=CC=CO1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020231924	1	42	-1.0	-45.12	346.66	4.96	-40.16
O=C(NC1=CC=NN1CC1=CC=CO1)N1CCCC1C1=NN=N[N-]1	REAL300020231925	0	39	-1.0	-55.37	331.25	4.09	-51.28
O=C(NC1=CC=NN1CC1=CC=CO1)N1CCCC1C1=N[N-]N=N1	REAL300020231925	1	39	-1.0	-55.36	331.20	4.07	-51.29
CSCC[C@H](NC(=O)NC1=CC=NN1CC1=CC=CO1)C1=NN=N[N-]1	REAL300020231926	0	42	-1.0	-47.67	374.89	4.04	-43.63
CSCC[C@H](NC(=O)NC1=CC=NN1CC1=CC=CO1)C1=N[N-]N=N1	REAL300020231926	1	42	-1.0	-47.66	374.83	4.03	-43.63
O=C(NC1=CC=NN1CC1=CC=CO1)N1CCC(C2=NN=N[N-]2)C1	REAL300020231927	0	39	-1.0	-45.01	332.77	4.14	-40.87
O=C(NC1=CC=NN1CC1=CC=CO1)N1CCC(C2=N[N-]N=N2)C1	REAL300020231927	1	39	-1.0	-45.02	332.69	4.12	-40.90
O=C(NC1=CC=NN1CC1=CC=CO1)N1CCCCC1CC1=NN=N[N-]1	REAL300020231928	0	45	-1.0	-51.36	355.28	5.98	-45.38
O=C(NC1=CC=NN1CC1=CC=CO1)N1CCCCC1CC1=N[N-]N=N1	REAL300020231928	1	45	-1.0	-51.35	355.23	5.97	-45.38
CN1C=CN=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C1=O	REAL300020231929	0	37	-1.0	-49.98	324.37	3.41	-46.57
CN1C=CN=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C1=O	REAL300020231929	1	37	-1.0	-49.94	324.31	3.39	-46.55
CN1C=CN=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C1=O	REAL300020231930	0	37	-1.0	-51.76	305.20	2.93	-48.83
CN1C=CN=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C1=O	REAL300020231930	1	37	-1.0	-51.74	305.14	2.91	-48.83
CSCC[C@H](NC(=O)NC1=NC=CN(C)C1=O)C1=NN=N[N-]1	REAL300020231931	0	37	-1.0	-54.76	333.35	1.99	-52.77
CSCC[C@H](NC(=O)NC1=NC=CN(C)C1=O)C1=N[N-]N=N1	REAL300020231931	1	37	-1.0	-54.79	333.29	1.97	-52.82
CN1C=CN=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C1=O	REAL300020231932	0	40	-1.0	-55.89	313.65	3.80	-52.09
CN1C=CN=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C1=O	REAL300020231932	1	40	-1.0	-55.87	313.60	3.78	-52.09
O=C(NC1=CC=C(N2N=CC3=CC=CC=C32)C=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020231933	0	48	-1.0	-48.72	386.81	7.63	-41.09
O=C(NC1=CC=C(N2N=CC3=CC=CC=C32)C=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020231933	1	48	-1.0	-48.71	386.75	7.61	-41.10
O=C(NC1=CC=C(N2N=CC3=CC=CC=C32)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020231934	0	45	-1.0	-62.58	372.48	6.68	-55.90
O=C(NC1=CC=C(N2N=CC3=CC=CC=C32)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020231934	1	45	-1.0	-62.63	372.42	6.66	-55.97
O=C(NC1=CC=C(N2N=CC3=CC=CC=C32)C=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020231935	0	45	-1.0	-50.37	373.79	6.73	-43.64
O=C(NC1=CC=C(N2N=CC3=CC=CC=C32)C=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020231935	1	45	-1.0	-50.35	373.72	6.72	-43.63
CC1=NN(C)C(C)=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020231936	0	41	-1.0	-52.68	344.94	3.52	-49.16
CC1=NN(C)C(C)=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020231936	1	41	-1.0	-52.67	344.88	3.50	-49.17
CC1=NN(C)C(C)=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020231937	0	41	-1.0	-46.13	325.26	2.99	-43.14
CC1=NN(C)C(C)=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020231937	1	41	-1.0	-46.16	325.31	3.00	-43.16
CSCC[C@H](NC(=O)NC1=C(C)N(C)N=C1C)C1=N[N-]N=N1	REAL300020231938	0	41	-1.0	-49.90	355.12	1.98	-47.92
CSCC[C@H](NC(=O)NC1=C(C)N(C)N=C1C)C1=NN=N[N-]1	REAL300020231938	1	41	-1.0	-49.92	355.18	1.99	-47.93
CC1=NN(C)C(C)=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020231939	0	44	-1.0	-42.07	339.74	4.38	-37.69
CC1=NN(C)C(C)=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020231939	1	44	-1.0	-42.05	339.85	4.40	-37.65
O=C(NC1=CN(C(F)F)N=C1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020231940	0	35	-1.0	-45.31	317.92	2.69	-42.62
O=C(NC1=CN(C(F)F)N=C1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020231940	1	35	-1.0	-45.32	317.86	2.66	-42.66
O=C(NC1=CN(C(F)F)N=C1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020231941	0	35	-1.0	-43.96	299.50	2.27	-41.69
O=C(NC1=CN(C(F)F)N=C1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020231941	1	35	-1.0	-43.97	299.45	2.26	-41.71
CSCC[C@H](NC(=O)NC1=CN(C(F)F)N=C1)C1=NN=N[N-]1	REAL300020231942	0	35	-1.0	-46.76	327.67	1.32	-45.44
CSCC[C@H](NC(=O)NC1=CN(C(F)F)N=C1)C1=N[N-]N=N1	REAL300020231942	1	35	-1.0	-46.81	327.61	1.30	-45.51
O=C(NC1=CN(C(F)F)N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020231943	0	38	-1.0	-51.95	306.74	3.10	-48.85
O=C(NC1=CN(C(F)F)N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020231943	1	38	-1.0	-51.95	306.69	3.10	-48.85
CC1=NN(C(F)F)C(C)=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020231944	0	41	-1.0	-49.60	357.21	3.67	-45.93
CC1=NN(C(F)F)C(C)=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020231944	1	41	-1.0	-49.59	357.15	3.64	-45.95
CC1=NN(C(F)F)C(C)=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020231945	0	41	-1.0	-44.17	340.44	3.15	-41.02
CC1=NN(C(F)F)C(C)=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020231945	1	41	-1.0	-44.15	340.50	3.16	-40.99
CC1=NN(C(F)F)C(C)=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020231946	0	38	-1.0	-58.23	327.09	2.34	-55.89
CC1=NN(C(F)F)C(C)=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020231946	1	38	-1.0	-58.25	327.15	2.36	-55.89
CSCC[C@H](NC(=O)NC1=C(C)N(C(F)F)N=C1C)C1=N[N-]N=N1	REAL300020231947	0	41	-1.0	-49.90	362.52	2.05	-47.85
CSCC[C@H](NC(=O)NC1=C(C)N(C(F)F)N=C1C)C1=NN=N[N-]1	REAL300020231947	1	41	-1.0	-49.94	362.58	2.07	-47.87
CC1=NN(C(F)F)C(C)=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020231948	0	38	-1.0	-47.27	320.31	2.17	-45.10
CC1=NN(C(F)F)C(C)=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020231948	1	38	-1.0	-47.28	320.38	2.17	-45.11
CC1=NN(C(F)F)C(C)=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020231949	0	44	-1.0	-53.14	343.79	3.13	-50.01
CC1=NN(C(F)F)C(C)=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020231949	1	44	-1.0	-53.16	343.84	3.12	-50.04
CCS(=O)(=O)CCN1C=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C=N1	REAL300020231950	0	47	-1.0	-53.82	392.77	1.34	-52.48
CCS(=O)(=O)CCN1C=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C=N1	REAL300020231950	1	47	-1.0	-53.79	392.71	1.33	-52.46
CCS(=O)(=O)CCN1C=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=N1	REAL300020231951	0	44	-1.0	-63.54	377.32	0.42	-63.12
CCS(=O)(=O)CCN1C=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=N1	REAL300020231951	1	44	-1.0	-63.54	377.26	0.41	-63.13
CCS(=O)(=O)CCN1C=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=N1	REAL300020231952	0	44	-1.0	-54.15	378.81	0.46	-53.69
CCS(=O)(=O)CCN1C=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=N1	REAL300020231952	1	44	-1.0	-54.14	378.73	0.45	-53.69
CCS(=O)(=O)CCN1C=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020231953	0	50	-1.0	-58.79	400.77	2.22	-56.57
CCS(=O)(=O)CCN1C=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020231953	1	50	-1.0	-58.75	400.73	2.21	-56.54
CC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C=C1S(=O)(=O)NC1CC1	REAL300020231954	0	47	-1.0	-57.62	391.95	2.13	-55.49
CC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C=C1S(=O)(=O)NC1CC1	REAL300020231954	1	47	-1.0	-57.62	392.01	2.15	-55.47
CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C=C1S(=O)(=O)NC1CC1	REAL300020231955	0	47	-1.0	-55.95	394.66	2.07	-53.88
CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C=C1S(=O)(=O)NC1CC1	REAL300020231955	1	47	-1.0	-55.99	394.74	2.08	-53.91
O=C(NC1=CC=C(F)C(S(=O)(=O)NC2CC2)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020231956	0	44	-1.0	-66.30	383.04	1.29	-65.01
O=C(NC1=CC=C(F)C(S(=O)(=O)NC2CC2)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020231956	1	44	-1.0	-66.30	383.10	1.31	-64.99
O=C(NC1=CC=C(F)C(S(=O)(=O)NC2CC2)=C1)N1CCC(C2=N[N-]N=N2)C1	REAL300020231957	0	44	-1.0	-52.59	384.61	1.33	-51.26
O=C(NC1=CC=C(F)C(S(=O)(=O)NC2CC2)=C1)N1CCC(C2=NN=N[N-]2)C1	REAL300020231957	1	44	-1.0	-52.57	384.68	1.34	-51.23
CCN1N=C(C)C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1C	REAL300020231958	0	44	-1.0	-48.58	366.74	4.39	-44.19
CCN1N=C(C)C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1C	REAL300020231958	1	44	-1.0	-48.61	366.68	4.37	-44.24
CCN1N=C(C)C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1C	REAL300020231959	0	44	-1.0	-45.87	347.08	3.86	-42.01
CCN1N=C(C)C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1C	REAL300020231959	1	44	-1.0	-45.95	347.13	3.87	-42.08
CCN1N=C(C)C(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1C	REAL300020231960	0	41	-1.0	-56.78	339.82	3.14	-53.64
CCN1N=C(C)C(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1C	REAL300020231960	1	41	-1.0	-56.75	339.87	3.15	-53.60
CCN1N=C(C)C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1C	REAL300020231961	0	44	-1.0	-50.11	375.19	2.87	-47.24
CCN1N=C(C)C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1C	REAL300020231961	1	44	-1.0	-50.12	375.24	2.88	-47.24
CCN1N=C(C)C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1C	REAL300020231962	0	41	-1.0	-47.59	334.86	2.95	-44.64
CCN1N=C(C)C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1C	REAL300020231962	1	41	-1.0	-47.58	334.93	2.95	-44.63
CCN1N=C(C)C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1C	REAL300020231963	0	47	-1.0	-44.47	358.34	3.53	-40.94
CCN1N=C(C)C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1C	REAL300020231963	1	47	-1.0	-44.46	358.39	3.54	-40.92
CC1=NN(C2CCS(=O)(=O)C2)C(C)=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020231964	0	48	-1.0	-66.90	402.08	1.12	-65.78
CC1=NN(C2CCS(=O)(=O)C2)C(C)=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020231964	1	48	-1.0	-66.91	402.14	1.13	-65.78
CC1=NN(C2CCS(=O)(=O)C2)C(C)=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020231965	0	48	-1.0	-54.15	403.90	1.13	-53.02
CC1=NN(C2CCS(=O)(=O)C2)C(C)=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020231965	1	48	-1.0	-54.11	403.97	1.15	-52.96
O=C(NC1=CC=CC(CC2=N[N-]N=N2)=C1)NC1=CC=NC(CC2=CC=CC=C2)=N1	REAL300020231966	0	46	-1.0	-47.21	397.36	7.85	-39.36
O=C(NC1=CC=CC(CC2=NN=N[N-]2)=C1)NC1=CC=NC(CC2=CC=CC=C2)=N1	REAL300020231966	1	46	-1.0	-47.23	397.41	7.87	-39.36
O=C(NC1=CC=NC(CC2=CC=CC=C2)=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020231967	0	46	-1.0	-49.51	378.25	7.37	-42.14
O=C(NC1=CC=NC(CC2=CC=CC=C2)=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020231967	1	46	-1.0	-49.51	378.31	7.39	-42.12
O=C(NC1=CC=NC(CC2=CC=CC=C2)=N1)N1CCCC1C1=N[N-]N=N1	REAL300020231968	0	43	-1.0	-63.13	362.68	6.47	-56.66
O=C(NC1=CC=NC(CC2=CC=CC=C2)=N1)N1CCCC1C1=NN=N[N-]1	REAL300020231968	1	43	-1.0	-63.13	362.73	6.50	-56.63
CSCC[C@H](NC(=O)NC1=CC=NC(CC2=CC=CC=C2)=N1)C1=N[N-]N=N1	REAL300020231969	0	46	-1.0	-53.46	406.36	6.43	-47.03
CSCC[C@H](NC(=O)NC1=CC=NC(CC2=CC=CC=C2)=N1)C1=NN=N[N-]1	REAL300020231969	1	46	-1.0	-53.45	406.42	6.45	-47.00
O=C(NC1=CC=NC(CC2=CC=CC=C2)=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020231970	0	43	-1.0	-50.32	364.18	6.52	-43.80
O=C(NC1=CC=NC(CC2=CC=CC=C2)=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020231970	1	43	-1.0	-50.36	364.25	6.53	-43.83
O=C(NC1=CC=NC(CC2=CC=CC=C2)=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020231971	0	49	-1.0	-46.09	391.02	7.39	-38.70
O=C(NC1=CC=NC(CC2=CC=CC=C2)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020231971	1	49	-1.0	-46.10	391.08	7.39	-38.71
COCCN1N=C(C)C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=C1C	REAL300020231972	0	48	-1.0	-51.88	399.50	3.41	-48.47
COCCN1N=C(C)C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=C1C	REAL300020231972	1	48	-1.0	-51.90	399.44	3.39	-48.51
COCCN1N=C(C)C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1C	REAL300020231973	0	48	-1.0	-46.98	381.47	2.91	-44.07
COCCN1N=C(C)C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1C	REAL300020231973	1	48	-1.0	-47.01	381.53	2.92	-44.09
COCCN1N=C(C)C(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1C	REAL300020231974	0	45	-1.0	-57.82	372.52	2.18	-55.64
COCCN1N=C(C)C(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1C	REAL300020231974	1	45	-1.0	-57.81	372.57	2.19	-55.62
COCCN1N=C(C)C(NC(=O)N[C@@H](CCSC)C2=N[N-]N=N2)=C1C	REAL300020231975	0	48	-1.0	-48.78	408.85	1.92	-46.86
COCCN1N=C(C)C(NC(=O)N[C@@H](CCSC)C2=NN=N[N-]2)=C1C	REAL300020231975	1	48	-1.0	-48.71	408.91	1.93	-46.78
COCCN1N=C(C)C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1C	REAL300020231976	0	45	-1.0	-46.87	366.64	2.02	-44.85
COCCN1N=C(C)C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1C	REAL300020231976	1	45	-1.0	-46.89	366.71	2.04	-44.85
COCCN1N=C(C)C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1C	REAL300020231977	0	51	-1.0	-52.08	389.21	2.96	-49.12
COCCN1N=C(C)C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1C	REAL300020231977	1	51	-1.0	-52.04	389.26	2.96	-49.08
CC1=CN(C2=CC=C(C(N)=O)C=C2NC(=O)N2CCC(C3=NN=N[N-]3)CC2)N=C1	REAL300020231978	0	49	-1.0	-59.38	393.44	3.69	-55.69
CC1=CN(C2=CC=C(C(N)=O)C=C2NC(=O)N2CCC(C3=N[N-]N=N3)CC2)N=C1	REAL300020231978	1	49	-1.0	-59.36	393.39	3.67	-55.69
CC1=CN(C2=CC=C(C(N)=O)C=C2NC(=O)N2CCCC2C2=NN=N[N-]2)N=C1	REAL300020231979	0	46	-1.0	-76.35	378.30	2.74	-73.61
CC1=CN(C2=CC=C(C(N)=O)C=C2NC(=O)N2CCCC2C2=N[N-]N=N2)N=C1	REAL300020231979	1	46	-1.0	-76.37	378.24	2.74	-73.63
CC1=CN(C2=CC=C(C(N)=O)C=C2NC(=O)N2CCC(C3=NN=N[N-]3)C2)N=C1	REAL300020231980	0	46	-1.0	-59.50	379.88	2.82	-56.68
CC1=CN(C2=CC=C(C(N)=O)C=C2NC(=O)N2CCC(C3=N[N-]N=N3)C2)N=C1	REAL300020231980	1	46	-1.0	-59.46	379.81	2.81	-56.65
CCC1=NN(C)C=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020231981	0	41	-1.0	-42.56	347.53	3.90	-38.66
CCC1=NN(C)C=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020231981	1	41	-1.0	-42.52	347.47	3.88	-38.64
CCC1=NN(C)C=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020231982	0	41	-1.0	-44.17	328.28	3.41	-40.76
CCC1=NN(C)C=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020231982	1	41	-1.0	-44.15	328.34	3.43	-40.72
CCC1=NN(C)C=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020231983	0	41	-1.0	-46.35	356.45	2.47	-43.88
CCC1=NN(C)C=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020231983	1	41	-1.0	-46.38	356.51	2.49	-43.89
CCC1=NN(C)C=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020231984	0	44	-1.0	-49.32	336.85	4.41	-44.91
CCC1=NN(C)C=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020231984	1	44	-1.0	-49.35	336.90	4.41	-44.94
CC1=CC=C(CN2C=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)CC3)C2=O)C=C1	REAL300020231985	0	51	-1.0	-50.40	408.02	7.59	-42.81
CC1=CC=C(CN2C=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)CC3)C2=O)C=C1	REAL300020231985	1	51	-1.0	-50.42	408.08	7.60	-42.82
CC1=CC=C(CN2C=CC=C(NC(=O)N3CCCC3C3=N[N-]N=N3)C2=O)C=C1	REAL300020231986	0	48	-1.0	-80.39	396.66	7.83	-72.56
CC1=CC=C(CN2C=CC=C(NC(=O)N3CCCC3C3=NN=N[N-]3)C2=O)C=C1	REAL300020231986	1	48	-1.0	-80.42	396.71	7.86	-72.56
CC1=CC=C(CN2C=CC=C(NC(=O)N3CCC(C4=N[N-]N=N4)C3)C2=O)C=C1	REAL300020231987	0	48	-1.0	-62.35	398.33	7.59	-54.76
CC1=CC=C(CN2C=CC=C(NC(=O)N3CCC(C4=NN=N[N-]4)C3)C2=O)C=C1	REAL300020231987	1	48	-1.0	-62.28	398.40	7.61	-54.67
CC1=CC(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)=NN1CCC#N	REAL300020231988	0	42	-1.0	-47.02	367.26	5.37	-41.65
CC1=CC(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)=NN1CCC#N	REAL300020231988	1	42	-1.0	-47.00	367.21	5.34	-41.66
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=NN1CCC#N	REAL300020231989	0	42	-1.0	-48.63	348.85	4.89	-43.74
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=NN1CCC#N	REAL300020231989	1	42	-1.0	-48.64	348.91	4.90	-43.74
CC1=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=NN1CCC#N	REAL300020231990	0	39	-1.0	-57.20	333.41	3.99	-53.21
CC1=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=NN1CCC#N	REAL300020231990	1	39	-1.0	-57.17	333.47	4.00	-53.17
CSCC[C@H](NC(=O)NC1=NN(CCC#N)C(C)=C1)C1=N[N-]N=N1	REAL300020231991	0	42	-1.0	-51.17	376.18	3.93	-47.24
CSCC[C@H](NC(=O)NC1=NN(CCC#N)C(C)=C1)C1=NN=N[N-]1	REAL300020231991	1	42	-1.0	-51.16	376.23	3.94	-47.22
CC1=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=NN1CCC#N	REAL300020231992	0	39	-1.0	-48.01	334.03	4.01	-44.00
CC1=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=NN1CCC#N	REAL300020231992	1	39	-1.0	-48.00	334.11	4.03	-43.97
CC1=CC(NC(=O)N2CCCCC2CC2=N[N-]N=N2)=NN1CCC#N	REAL300020231993	0	45	-1.0	-51.20	355.96	5.77	-45.43
CC1=CC(NC(=O)N2CCCCC2CC2=NN=N[N-]2)=NN1CCC#N	REAL300020231993	1	45	-1.0	-51.25	356.00	5.77	-45.48
COC(=O)CCSC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)=C1	REAL300020231994	0	48	-1.0	-46.25	400.03	7.04	-39.21
COC(=O)CCSC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)=C1	REAL300020231994	1	48	-1.0	-46.28	400.09	7.05	-39.23
COC(=O)CCSC1=CC=CC(NC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020231995	0	45	-1.0	-60.41	385.63	6.10	-54.31
COC(=O)CCSC1=CC=CC(NC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020231995	1	45	-1.0	-60.43	385.69	6.12	-54.31
COC(=O)CCSC1=CC=CC(NC(=O)N2CCC(C3=N[N-]N=N3)C2)=C1	REAL300020231996	0	45	-1.0	-48.62	387.27	6.13	-42.49
COC(=O)CCSC1=CC=CC(NC(=O)N2CCC(C3=NN=N[N-]3)C2)=C1	REAL300020231996	1	45	-1.0	-48.65	387.34	6.14	-42.51
CC1=CC=C(NC(=O)NC2=CC=CC(CC3=NN=N[N-]3)=C2)C(Cl)=C1Cl	REAL300020231997	0	38	-1.0	-47.53	350.64	6.47	-41.06
CC1=CC=C(NC(=O)NC2=CC=CC(CC3=N[N-]N=N3)=C2)C(Cl)=C1Cl	REAL300020231997	1	38	-1.0	-47.49	350.59	6.44	-41.05
CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)CC2)C(Cl)=C1Cl	REAL300020231998	0	38	-1.0	-40.53	333.09	5.96	-34.57
CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)CC2)C(Cl)=C1Cl	REAL300020231998	1	38	-1.0	-40.55	333.15	5.98	-34.57
CC1=CC=C(NC(=O)N2CCCC2C2=N[N-]N=N2)C(Cl)=C1Cl	REAL300020231999	0	35	-1.0	-48.53	317.35	5.07	-43.46
CC1=CC=C(NC(=O)N2CCCC2C2=NN=N[N-]2)C(Cl)=C1Cl	REAL300020231999	1	35	-1.0	-48.51	317.41	5.09	-43.42
CSCC[C@H](NC(=O)NC1=CC=C(C)C(Cl)=C1Cl)C1=N[N-]N=N1	REAL300020232000	0	38	-1.0	-42.31	360.00	5.02	-37.29
CSCC[C@H](NC(=O)NC1=CC=C(C)C(Cl)=C1Cl)C1=NN=N[N-]1	REAL300020232000	1	38	-1.0	-42.33	360.05	5.04	-37.29
CC1=CC=C(NC(=O)N2CCC(C3=N[N-]N=N3)C2)C(Cl)=C1Cl	REAL300020232001	0	35	-1.0	-39.79	317.83	5.11	-34.68
CC1=CC=C(NC(=O)N2CCC(C3=NN=N[N-]3)C2)C(Cl)=C1Cl	REAL300020232001	1	35	-1.0	-39.79	317.90	5.11	-34.68
CC1=CC=C(NC(=O)N2CCCCC2CC2=N[N-]N=N2)C(Cl)=C1Cl	REAL300020232002	0	41	-1.0	-45.30	340.58	6.86	-38.44
CC1=CC=C(NC(=O)N2CCCCC2CC2=NN=N[N-]2)C(Cl)=C1Cl	REAL300020232002	1	41	-1.0	-45.34	340.64	6.86	-38.48
CCC(C)N1N=CC=C1NC(=O)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020232003	0	44	-1.0	-42.31	363.56	5.69	-36.62
CCC(C)N1N=CC=C1NC(=O)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020232003	1	44	-1.0	-42.30	363.50	5.67	-36.63
CCC(C)N1N=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)CC1	REAL300020232004	0	44	-1.0	-43.77	344.32	5.21	-38.56
CCC(C)N1N=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)CC1	REAL300020232004	1	44	-1.0	-43.81	344.27	5.19	-38.62
CCC(C)N1N=CC=C1NC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020232005	0	41	-1.0	-53.63	328.91	4.31	-49.32
CCC(C)N1N=CC=C1NC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020232005	1	41	-1.0	-53.62	328.85	4.29	-49.33
CCC(C)N1N=CC=C1NC(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020232006	0	44	-1.0	-46.77	372.53	4.27	-42.50
CCC(C)N1N=CC=C1NC(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020232006	1	44	-1.0	-46.78	372.47	4.26	-42.52
CCC(C)N1N=CC=C1NC(=O)N1CCC(C2=NN=N[N-]2)C1	REAL300020232007	0	41	-1.0	-43.91	330.40	4.37	-39.54
CCC(C)N1N=CC=C1NC(=O)N1CCC(C2=N[N-]N=N2)C1	REAL300020232007	1	41	-1.0	-43.93	330.33	4.35	-39.58
CCC(C)N1N=CC=C1NC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020232008	0	47	-1.0	-50.90	352.91	6.20	-44.70
CCC(C)N1N=CC=C1NC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020232008	1	47	-1.0	-50.89	352.86	6.20	-44.69
O=C(NC1=CC=NN1CC1=CC=CC=N1)NC1=CC=CC(CC2=NN=N[N-]2)=C1	REAL300020232009	0	44	-1.0	-45.23	379.82	5.55	-39.68
O=C(NC1=CC=NN1CC1=CC=CC=N1)NC1=CC=CC(CC2=N[N-]N=N2)=C1	REAL300020232009	1	44	-1.0	-45.19	379.77	5.52	-39.67
O=C(NC1=CC=NN1CC1=CC=CC=N1)N1CCC(C2=N[N-]N=N2)CC1	REAL300020232010	0	44	-1.0	-46.36	360.58	5.04	-41.32
O=C(NC1=CC=NN1CC1=CC=CC=N1)N1CCC(C2=NN=N[N-]2)CC1	REAL300020232010	1	44	-1.0	-46.34	360.63	5.06	-41.28
O=C(NC1=CC=NN1CC1=CC=CC=N1)N1CCCC1C1=N[N-]N=N1	REAL300020232011	0	41	-1.0	-58.84	345.11	4.15	-54.69
O=C(NC1=CC=NN1CC1=CC=CC=N1)N1CCCC1C1=NN=N[N-]1	REAL300020232011	1	41	-1.0	-58.87	345.17	4.17	-54.70
CSCC[C@H](NC(=O)NC1=CC=NN1CC1=CC=CC=N1)C1=N[N-]N=N1	REAL300020232012	0	44	-1.0	-49.48	388.75	4.11	-45.37
CSCC[C@H](NC(=O)NC1=CC=NN1CC1=CC=CC=N1)C1=NN=N[N-]1	REAL300020232012	1	44	-1.0	-49.45	388.81	4.12	-45.33
O=C(NC1=CC=NN1CC1=CC=CC=N1)N1CCC(C2=N[N-]N=N2)C1	REAL300020232013	0	41	-1.0	-46.70	346.61	4.20	-42.50
O=C(NC1=CC=NN1CC1=CC=CC=N1)N1CCC(C2=NN=N[N-]2)C1	REAL300020232013	1	41	-1.0	-46.71	346.68	4.22	-42.49
O=C(NC1=CC=NN1CC1=CC=CC=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020232014	0	47	-1.0	-55.61	368.62	5.95	-49.66
O=C(NC1=CC=NN1CC1=CC=CC=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020232014	1	47	-1.0	-55.60	368.65	5.95	-49.65
[NH3+][C@@H](CCC1=CC=CC=C1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251529	0	42	0.0	-63.27	345.01	5.08	-58.19
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1C[NH2+]CC2=CNN=C21	REAL300020251530	0	37	0.0	-69.61	302.13	1.96	-67.65
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1C[NH2+]CC2=CNN=C21	REAL300020251530	1	37	0.0	-69.68	302.17	1.96	-67.72
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CNCC2=CNN=C21	REAL300020251530	1	36	-1.0	-47.46	299.44	0.65	-46.81
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)N=C(C2CC[NH2+]CC2)N1	REAL300020251531	0	46	0.0	-78.41	363.58	4.12	-74.29
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)N=C(C2CC[NH2+]CC2)N1	REAL300020251531	1	46	0.0	-78.49	363.63	4.12	-74.37
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NOC(CC2CCCC[NH2+]2)=C1	REAL300020251532	0	45	0.0	-68.46	361.67	5.35	-63.11
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NOC(CC2CCCC[NH2+]2)=C1	REAL300020251532	1	45	0.0	-68.45	361.72	5.35	-63.10
[NH3+]C(CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)CC1CCCC1	REAL300020251533	0	45	0.0	-51.70	345.00	4.76	-46.94
[NH3+]C(CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)CC1CCCC1	REAL300020251533	1	45	0.0	-51.75	345.05	4.77	-46.98
[NH3+]C(CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC(F)=C1	REAL300020251534	0	39	0.0	-62.67	324.70	4.47	-58.20
[NH3+]C(CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC(F)=C1	REAL300020251534	1	39	0.0	-62.76	324.75	4.47	-58.29
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)[C@@H]1CC[C@@H](C2CCC2)[NH2+]C1	REAL300020251535	0	46	0.0	-52.54	347.44	6.38	-46.16
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)[C@@H]1CC[C@@H](C2CCC2)[NH2+]C1	REAL300020251535	1	46	0.0	-52.61	347.50	6.38	-46.23
[NH3+]C[C@@H]1COC[C@H]1N1C=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)N=N1	REAL300020251536	0	43	0.0	-80.56	356.62	-0.12	-80.68
[NH3+]C[C@@H]1COC[C@H]1N1C=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)N=N1	REAL300020251536	1	43	0.0	-80.54	356.58	-0.13	-80.67
CCN1N=CC(N)=C1C=CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020251537	0	39	-1.0	-40.10	335.23	3.16	-36.94
CCN1N=CC(N)=C1C=CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251537	1	39	-1.0	-40.09	335.27	3.16	-36.93
COC1C[NH2+]CCC1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020251538	0	40	0.0	-61.39	314.02	3.46	-57.93
COC1C[NH2+]CCC1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251538	1	40	0.0	-61.39	314.06	3.47	-57.92
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=C2C[NH2+]CCN2C=C1	REAL300020251539	0	38	0.0	-72.86	307.88	4.29	-68.57
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=C2CNCCN2C=C1	REAL300020251539	1	37	-1.0	-45.30	305.72	2.93	-42.37
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=C2CNCCN2C=C1	REAL300020251539	1	37	-1.0	-45.24	305.75	2.94	-42.30
O=C(CC1CC2(CCC2)C[NH2+]1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020251540	0	43	0.0	-46.96	335.30	5.35	-41.61
O=C(CC1CC2(CCC2)C[NH2+]1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251540	1	43	0.0	-47.07	335.34	5.35	-41.72
[NH3+]C(CC1=CC=CC(F)=C1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251541	0	39	0.0	-52.67	329.37	4.35	-48.32
NC(CC1=CC=CC(F)=C1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251541	1	38	-1.0	-39.41	327.67	4.03	-35.38
[NH3+][C@H](CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C1CCCCC1	REAL300020251542	0	45	0.0	-52.37	335.51	4.65	-47.72
[NH3+][C@H](CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C1CCCCC1	REAL300020251542	1	45	0.0	-52.45	335.53	4.65	-47.80
[NH3+]C1CCC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C2=CC=CC=C21	REAL300020251543	0	43	0.0	-78.69	337.50	5.14	-73.55
[NH3+]C1CCC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C2=CC=CC=C21	REAL300020251543	1	43	0.0	-78.76	337.60	5.14	-73.62
[NH3+][C@H]1CC[C@@H](CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CC1	REAL300020251544	0	42	0.0	-67.48	317.89	3.43	-64.05
[NH3+][C@H]1CC[C@@H](CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CC1	REAL300020251544	1	42	0.0	-67.50	317.95	3.44	-64.06
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CCC(C2CCC2)[NH2+]C1	REAL300020251545	0	46	0.0	-51.58	346.88	6.04	-45.54
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CCC(C2CCC2)[NH2+]C1	REAL300020251545	1	46	0.0	-51.61	346.93	6.04	-45.57
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C(F)(F)C1CCC[NH2+]C1	REAL300020251546	0	39	0.0	-61.93	311.84	4.09	-57.84
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C(F)(F)C1CCC[NH2+]C1	REAL300020251546	1	39	0.0	-61.94	311.89	4.10	-57.84
COC1=CC=C([C@H](C)[NH3+])C=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020251547	0	43	0.0	-71.49	347.31	4.70	-66.79
COC1=CC=C([C@H](C)[NH3+])C=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251547	1	43	0.0	-71.49	347.36	4.70	-66.79
[NH3+]C(CC1CCOC1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251548	0	40	0.0	-64.43	307.89	1.62	-62.81
COC(=O)[C@@]1(N)C[C@H](C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020251549	0	38	-1.0	-39.68	319.57	1.98	-37.70
COC(=O)[C@@]1(N)C[C@H](C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020251549	1	38	-1.0	-39.66	319.62	1.98	-37.68
COC(=O)[C@@]1([NH3+])C[C@H](C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020251549	1	39	0.0	-69.79	322.91	2.24	-67.55
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN(CC2C[NH2+]CCO2)N=N1	REAL300020251550	0	43	0.0	-84.48	356.18	1.44	-83.04
[NH3+]C1(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CCSC1	REAL300020251551	0	37	0.0	-58.39	300.50	2.93	-55.46
[NH3+]C1(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CCSC1	REAL300020251551	1	37	0.0	-58.45	300.55	2.93	-55.52
[NH3+]CC1=C(Cl)SC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020251552	0	33	0.0	-67.31	308.62	3.11	-64.20
[NH3+]CC1=C(Cl)SC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020251552	1	33	0.0	-67.36	308.66	3.12	-64.24
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CCC2(CC[NH2+]C2)CC1	REAL300020251553	0	46	0.0	-66.62	343.78	5.34	-61.28
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CCC2(CC[NH2+]C2)CC1	REAL300020251553	1	46	0.0	-66.60	343.83	5.35	-61.25
C=C(F)C1(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C[NH2+]C1	REAL300020251554	0	37	0.0	-63.44	301.30	3.28	-60.16
C=C(F)C1(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C[NH2+]C1	REAL300020251554	1	37	0.0	-63.50	301.34	3.29	-60.21
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C2C[NH2+]CCC2=C1	REAL300020251555	0	40	0.0	-73.29	322.47	5.57	-67.72
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C2C[NH2+]CCC2=C1	REAL300020251555	1	40	0.0	-73.26	322.52	5.57	-67.69
[NH3+][C@H](COCC1=CC=CC=C1)CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020251556	0	46	0.0	-50.72	377.36	4.51	-46.21
[NH3+][C@H](COCC1=CC=CC=C1)CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251556	1	46	0.0	-50.72	377.40	4.51	-46.21
CC1(C)[NH2+]CCC1CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020251557	0	42	0.0	-58.24	321.99	4.30	-53.94
CC1(C)[NH2+]CCC1CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251557	1	42	0.0	-58.22	322.04	4.30	-53.92
[NH3+][C@@H](COCC1=CC=CC=C1)CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020251558	0	46	0.0	-52.34	376.35	4.50	-47.84
[NH3+][C@@H](COCC1=CC=CC=C1)CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251558	1	46	0.0	-52.36	376.39	4.51	-47.85
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NOC(CC2CC[NH2+]CC2)=C1	REAL300020251559	0	45	0.0	-73.34	362.74	5.16	-68.18
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NOC(CC2CC[NH2+]CC2)=C1	REAL300020251559	1	45	0.0	-73.26	362.78	5.17	-68.09
O=C(C[NH2+]CCC(F)(F)F)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251560	0	35	0.0	-57.71	307.12	3.82	-53.89
O=C(CNCCC(F)(F)F)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020251560	1	34	-1.0	-38.65	304.07	2.47	-36.18
O=C(CNCCC(F)(F)F)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251560	1	34	-1.0	-38.66	304.12	2.48	-36.18
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1C[NH2+]CC2=C1C=CC=C2C(F)(F)F	REAL300020251561	0	43	0.0	-58.06	349.75	6.37	-51.69
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1C[NH2+]CC2=C1C=CC=C2C(F)(F)F	REAL300020251561	1	43	0.0	-58.15	349.77	6.39	-51.76
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NN(C2CC[NH2+]CC2)C=C1	REAL300020251562	0	43	0.0	-79.23	345.90	4.08	-75.15
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NN(C2CC[NH2+]CC2)C=C1	REAL300020251562	1	43	0.0	-79.29	345.86	4.07	-75.22
COC(=O)CC[C@@H]([NH3+])CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020251563	0	41	0.0	-59.50	336.61	2.97	-56.53
COC(=O)CC[C@@H]([NH3+])CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251563	1	41	0.0	-59.48	336.65	2.97	-56.51
N[C@H](COCC1=CC=CC=C1)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020251564	0	42	-1.0	-39.51	357.17	3.24	-36.27
[NH3+][C@H](COCC1=CC=CC=C1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251564	1	43	0.0	-53.31	358.80	3.60	-49.71
N[C@H](COCC1=CC=CC=C1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251564	1	42	-1.0	-39.48	357.21	3.25	-36.23
[NH3+]C[C@H]1CC[C@H](C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CC1	REAL300020251565	0	42	0.0	-66.61	324.75	3.73	-62.88
[NH3+]C[C@H]1CC[C@H](C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CC1	REAL300020251565	1	42	0.0	-66.57	324.78	3.73	-62.84
N[C@@H](COCC1=CC=CC=C1)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020251566	0	42	-1.0	-40.45	356.65	3.29	-37.16
[NH3+][C@@H](COCC1=CC=CC=C1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251566	1	43	0.0	-53.44	359.82	3.63	-49.81
N[C@@H](COCC1=CC=CC=C1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251566	1	42	-1.0	-40.41	356.71	3.30	-37.11
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=C(CCC[NH2+]C2)O1	REAL300020251567	0	40	0.0	-72.48	323.44	4.40	-68.08
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=C(CCC[NH2+]C2)O1	REAL300020251567	1	40	0.0	-72.51	323.48	4.40	-68.11
[NH3+]C(CC1=CC=C(OC(F)F)C=C1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251568	0	43	0.0	-59.80	362.22	3.88	-55.92
[NH3+]C(CC1=CC=CS1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251569	0	36	0.0	-48.71	313.32	3.41	-45.30
NC(CC1=CC=CS1)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020251569	1	35	-1.0	-38.07	311.80	3.05	-35.02
NC(CC1=CC=CS1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251569	1	35	-1.0	-38.06	312.86	3.09	-34.97
[NH3+]CCCCCCCCCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020251570	0	50	0.0	-69.69	396.06	6.01	-63.68
[NH3+]CCCCCCCCCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251570	1	50	0.0	-69.64	396.11	6.01	-63.63
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=NOC2(CC[NH2+]C2)C1	REAL300020251571	0	38	0.0	-71.49	311.33	2.02	-69.47
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NOC2(CC[NH2+]C2)C1	REAL300020251571	1	38	0.0	-70.97	312.37	2.04	-68.93
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C2NCCOC2=C1	REAL300020251572	0	37	-1.0	-43.95	310.22	3.55	-40.40
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C2NCCOC2=C1	REAL300020251572	1	37	-1.0	-43.91	310.26	3.56	-40.35
O=C(CC1CCC2=CC=CC=C2N1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020251573	0	42	-1.0	-38.81	341.54	6.32	-32.49
O=C(CC1CCC2=CC=CC=C2N1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251573	1	42	-1.0	-38.86	341.59	6.33	-32.53
[NH3+]CC1=CC=C(C2=CC=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C2)C=C1	REAL300020251574	0	46	0.0	-78.05	376.39	6.93	-71.12
[NH3+]CC1=CC=C(C2=CC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=C2)C=C1	REAL300020251574	1	46	0.0	-77.98	376.44	6.94	-71.04
O=C(CC1CC2(C[NH2+]1)CCOCC2)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020251575	0	47	0.0	-56.48	355.07	3.87	-52.61
O=C(CC1CC2(C[NH2+]1)CCOCC2)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251575	1	47	0.0	-56.50	355.11	3.87	-52.63
O=C(CC1CC[NH2+]C2(CC2)C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020251576	0	43	0.0	-56.95	335.12	5.26	-51.69
O=C(CC1CC[NH2+]C2(CC2)C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251576	1	43	0.0	-56.96	335.16	5.27	-51.69
NC1=CC=C2NC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CC2=C1	REAL300020251577	0	36	-1.0	-40.81	310.45	3.29	-37.52
NC1=CC=C2NC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=CC2=C1	REAL300020251577	1	36	-1.0	-40.71	309.48	3.27	-37.44
[NH3+]CC1=CC=CC(C2=CC=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C2)=C1	REAL300020251578	0	46	0.0	-73.85	376.40	6.92	-66.93
[NH3+]CC1=CC=CC(C2=CC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=C2)=C1	REAL300020251578	1	46	0.0	-73.85	376.44	6.93	-66.92
[NH3+]CC1=CC=CC([C@@H]2C[C@H]2C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020251579	0	43	0.0	-70.35	353.86	5.51	-64.84
[NH3+]CC1=CC=CC([C@@H]2C[C@H]2C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020251579	1	43	0.0	-70.33	353.91	5.51	-64.82
[NH3+]CC1=CC=C([C@@H]2C[C@H]2C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020251580	0	43	0.0	-73.11	353.87	5.52	-67.59
[NH3+]CC1=CC=C([C@@H]2C[C@H]2C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020251580	1	43	0.0	-73.12	353.91	5.52	-67.60
[NH3+]CC1=CC=CC=C1C1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020251581	0	46	0.0	-64.47	375.59	6.91	-57.56
[NH3+]CC1=CC=CC=C1C1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020251581	1	46	0.0	-64.48	375.64	6.91	-57.57
[NH3+][C@@H](CCSC(F)(F)F)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251582	0	36	0.0	-60.33	327.07	3.09	-57.24
[NH3+]CC1=CC=CC=C1CCC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020251583	0	42	0.0	-67.01	338.90	4.83	-62.18
[NH3+]CC1=CC=CC=C1CCC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251583	1	42	0.0	-66.99	338.93	4.84	-62.15
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CNCCS(=O)(=O)C1	REAL300020251584	0	38	-1.0	-49.69	312.35	-0.76	-50.45
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CNCCS(=O)(=O)C1	REAL300020251584	1	38	-1.0	-49.75	312.40	-0.76	-50.51
[NH3+]CC1=CC=C(C2=CC=CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=C2)C=C1	REAL300020251585	0	46	0.0	-78.97	376.48	6.93	-72.04
[NH3+]CC1=CC=C(C2=CC=CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=C2)C=C1	REAL300020251585	1	46	0.0	-78.97	376.53	6.94	-72.03
O=C(CN1C=NC2=C1CC[NH2+]C21CCOCC1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251586	0	51	0.0	-58.02	391.60	5.84	-52.18
O=C(CN1C=NC2=C1CCNC21CCOCC1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251586	1	50	-1.0	-40.62	392.88	4.88	-35.74
[NH3+]C(CC1=CC=CC(Br)=C1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251587	0	39	0.0	-51.83	344.26	4.91	-46.92
NC(CC1=CC=CC(Br)=C1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251587	1	38	-1.0	-38.52	342.56	4.58	-33.94
[NH3+]CC1=CC=C(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020251588	0	39	0.0	-72.12	326.95	4.19	-67.93
[NH3+]CC1=CC=C(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020251588	1	39	0.0	-72.12	326.99	4.20	-67.92
O=C(C[C@@H]1CC2=CC=CC=C2C[NH2+]1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020251589	0	43	0.0	-47.77	342.75	6.43	-41.34
O=C(C[C@@H]1CC2=CC=CC=C2C[NH2+]1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251589	1	43	0.0	-47.76	342.79	6.44	-41.32
CN1C=C(CC([NH3+])C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=N1	REAL300020251590	0	39	0.0	-59.98	325.24	2.00	-57.98
CN1C=C(CC(N)C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=N1	REAL300020251590	1	38	-1.0	-40.67	322.20	1.66	-39.01
CN1C=C(CC(N)C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=N1	REAL300020251590	1	38	-1.0	-39.27	323.26	1.70	-37.57
CC1(C)C[NH2+]CC(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)O1	REAL300020251591	0	43	0.0	-64.62	333.61	3.86	-60.76
CC1(C)C[NH2+]CC(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)O1	REAL300020251591	1	43	0.0	-64.61	333.65	3.86	-60.75
CC1(C)[NH2+]CCC1C(F)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020251592	0	42	0.0	-57.35	324.66	4.27	-53.08
CC1(C)[NH2+]CCC1C(F)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251592	1	42	0.0	-57.40	324.72	4.27	-53.13
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1(F)C[NH2+]CC12CCC2	REAL300020251593	0	40	0.0	-66.80	315.42	4.19	-62.61
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1(F)C[NH2+]CC12CCC2	REAL300020251593	1	40	0.0	-66.77	315.47	4.19	-62.58
CC1(C)CC(C([NH3+])C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020251594	0	42	0.0	-62.37	324.66	3.81	-58.56
[NH3+]C(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C1CC2(CCC2)C1	REAL300020251595	0	43	0.0	-56.84	339.96	4.36	-52.48
[NH3+]CC1CC2CC1CC2C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020251596	0	43	0.0	-68.49	324.86	3.80	-64.69
[NH3+]CC1CC2CC1CC2C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251596	1	43	0.0	-68.51	324.91	3.80	-64.71
[NH3+]CC1=CC2=CC=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C2C=C1	REAL300020251597	0	42	0.0	-80.49	348.32	5.76	-74.73
[NH3+]CC1=CC2=CC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=C2C=C1	REAL300020251597	1	42	0.0	-80.51	348.37	5.76	-74.75
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CCNC2C1C2(F)F	REAL300020251598	0	36	-1.0	-39.12	298.84	2.83	-36.29
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CCNC2C1C2(F)F	REAL300020251598	1	36	-1.0	-39.11	298.88	2.84	-36.27
CC(C)OCCC([NH3+])C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251599	0	42	0.0	-56.88	338.40	2.05	-54.83
[NH3+]C(CC1CCOCC1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251600	0	43	0.0	-62.04	330.77	2.33	-59.71
NC1(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CS(=O)(=O)C1	REAL300020251601	0	35	-1.0	-43.07	302.54	-1.80	-44.87
NC1(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CS(=O)(=O)C1	REAL300020251601	1	35	-1.0	-43.01	302.61	-1.80	-44.81
[NH3+]C1(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CS(=O)(=O)C1	REAL300020251601	1	36	0.0	-77.45	299.93	-1.61	-79.06
[NH3+]C1(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CS(=O)(=O)C1	REAL300020251601	1	36	0.0	-77.44	299.97	-1.61	-79.05
O=C(CC1COC2(C1)CC[NH2+]CC2)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020251602	0	47	0.0	-64.00	360.20	4.29	-59.71
O=C(CC1COC2(C1)CC[NH2+]CC2)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251602	1	47	0.0	-63.95	360.24	4.29	-59.66
O=C(CC1C[NH2+]C2CCCCC12)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020251603	0	46	0.0	-58.24	346.40	5.35	-52.89
O=C(CC1C[NH2+]C2CCCCC12)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251603	1	46	0.0	-53.68	345.43	5.33	-48.35
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CN(C[C@@H]2CCC[NH2+]2)N=N1	REAL300020251604	0	42	0.0	-62.98	345.84	3.19	-59.79
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CN(C[C@@H]2CCC[NH2+]2)N=N1	REAL300020251604	1	42	0.0	-63.02	345.80	3.19	-59.83
COC1=CC=C(C[NH3+])C=C1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020251605	0	40	0.0	-67.54	329.62	3.96	-63.58
COC1=CC=C(C[NH3+])C=C1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251605	1	40	0.0	-67.59	329.67	3.97	-63.62
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CNCC(F)(F)C1	REAL300020251606	0	35	-1.0	-38.98	293.84	2.10	-36.88
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CNCC(F)(F)C1	REAL300020251606	1	35	-1.0	-39.01	293.88	2.10	-36.91
[NH3+]C1CCCC2=CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CC=C21	REAL300020251607	0	43	0.0	-71.79	339.53	5.28	-66.51
[NH3+]C1CCCC2=CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=CC=C21	REAL300020251607	1	43	0.0	-71.85	339.57	5.28	-66.57
CO[C@@]1(C[NH3+])C[C@@H](C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020251608	0	40	0.0	-70.20	314.82	2.28	-67.92
CO[C@@]1(C[NH3+])C[C@@H](C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020251608	1	40	0.0	-70.22	314.86	2.28	-67.94
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1C[NH2+]CC12CCCC2	REAL300020251609	0	43	0.0	-61.24	325.37	4.60	-56.64
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1C[NH2+]CC12CCCC2	REAL300020251609	1	43	0.0	-61.31	325.42	4.60	-56.71
CN1N=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C2=C1CC[NH2+]C2	REAL300020251610	0	40	0.0	-72.22	326.23	3.23	-68.99
CN1N=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C2=C1CC[NH2+]C2	REAL300020251610	1	40	0.0	-72.23	326.28	3.22	-69.01
[NH3+]CC1=CC=CC(OCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020251611	0	40	0.0	-72.41	334.85	3.96	-68.45
[NH3+]CC1=CC=CC(OCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020251611	1	40	0.0	-72.36	334.90	3.96	-68.40
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C(F)C1CC[NH2+]CC1	REAL300020251612	0	39	0.0	-57.70	311.50	3.94	-53.76
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C(F)C1CC[NH2+]CC1	REAL300020251612	1	39	0.0	-65.83	312.53	3.96	-61.87
[NH3+]CC1=CC=CC2=CC=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C21	REAL300020251613	0	42	0.0	-71.74	342.20	5.61	-66.13
[NH3+]CC1=CC=CC2=CC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=C21	REAL300020251613	1	42	0.0	-71.75	342.23	5.62	-66.13
[NH3+]C(CC1=CC=C(Cl)N=C1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251614	0	38	0.0	-62.85	333.70	2.90	-59.95
NC(CC1=CC=C(Cl)N=C1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251614	1	37	-1.0	-36.91	330.72	2.52	-34.39
[NH3+]CC1=CC=CC(C2=CC=CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=C2)=C1	REAL300020251615	0	46	0.0	-81.48	376.49	6.92	-74.56
[NH3+]CC1=CC=CC(C2=CC=CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=C2)=C1	REAL300020251615	1	46	0.0	-81.43	376.53	6.93	-74.50
[NH3+]C1CCCC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CC1	REAL300020251616	0	42	0.0	-66.83	316.34	3.42	-63.41
[NH3+]C1CCCC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CC1	REAL300020251616	1	42	0.0	-66.86	316.39	3.42	-63.44
[NH3+]C1CCCN(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1=O	REAL300020251617	0	40	0.0	-67.61	324.55	1.75	-65.86
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC2=C(CCC[NH2+]C2)S1	REAL300020251618	0	40	0.0	-69.03	332.38	5.37	-63.66
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC2=C(CCC[NH2+]C2)S1	REAL300020251618	1	40	0.0	-68.99	332.42	5.37	-63.62
[NH3+]C1CCC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CCC1(F)F	REAL300020251619	0	42	0.0	-64.53	322.37	3.57	-60.96
NC1CCC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CCC1(F)F	REAL300020251619	1	41	-1.0	-37.38	319.70	3.22	-34.16
NC1CCC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CCC1(F)F	REAL300020251619	1	41	-1.0	-37.38	319.75	3.23	-34.15
CC(C)(C)[C@@H]1C[NH2+]C[C@H](C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020251620	0	48	0.0	-57.86	353.63	5.24	-52.62
CC(C)(C)[C@@H]1C[NH2+]C[C@H](C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020251620	1	48	0.0	-57.90	353.68	5.24	-52.66
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CCNC2=CC=CC=C21	REAL300020251621	0	39	-1.0	-43.79	314.65	5.58	-38.21
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CCNC2=CC=CC=C21	REAL300020251621	1	39	-1.0	-43.82	314.28	5.60	-38.22
[NH3+]CC(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC=C1Cl	REAL300020251622	0	39	0.0	-56.67	334.84	4.36	-52.31
[NH3+]CC(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC=C1Cl	REAL300020251622	1	39	0.0	-56.82	335.17	4.36	-52.46
[NH3+]C1CCCC2=CC=C(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C=C2C1	REAL300020251623	0	46	0.0	-75.28	357.80	5.68	-69.60
[NH3+]C1CCCC2=CC=C(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C=C2C1	REAL300020251623	1	46	0.0	-75.25	357.85	5.68	-69.57
NC1=CN=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(Cl)=C1	REAL300020251624	0	31	-1.0	-46.55	286.29	2.16	-44.39
NC1=CN=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(Cl)=C1	REAL300020251624	1	31	-1.0	-46.62	286.25	2.14	-44.48
[NH3+]C(CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(F)C=C1F	REAL300020251625	0	39	0.0	-65.40	330.72	4.57	-60.83
[NH3+]C(CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(F)C=C1F	REAL300020251625	1	39	0.0	-65.40	330.77	4.58	-60.82
[NH3+][C@@H](CC1=CC=C(Br)C=C1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251626	0	39	0.0	-56.71	344.26	4.92	-51.79
N[C@@H](CC1=CC=C(Br)C=C1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251626	1	38	-1.0	-36.94	343.55	4.62	-32.32
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CC2=C1C[NH2+]CC2	REAL300020251627	0	40	0.0	-62.37	316.77	5.51	-56.86
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CC2=C1C[NH2+]CC2	REAL300020251627	1	40	0.0	-62.40	316.81	5.51	-56.89
CC1=CC=CC(C(C[NH3+])C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020251628	0	42	0.0	-53.99	339.77	4.67	-49.32
CC1=CC=CC(C(C[NH3+])C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020251628	1	42	0.0	-54.00	339.82	4.67	-49.33
[NH3+]C(CCOCC(F)(F)F)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251629	0	39	0.0	-62.74	337.70	1.76	-60.98
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NNC2=C1CC[NH2+]C2	REAL300020251630	0	37	0.0	-77.71	304.27	1.97	-75.74
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=NNC2=C1CCNC2	REAL300020251630	1	36	-1.0	-47.19	301.17	0.59	-46.60
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=COC(C2CC[NH2+]CC2)=N1	REAL300020251631	0	42	0.0	-72.78	343.67	1.65	-71.13
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=COC(C2CC[NH2+]CC2)=N1	REAL300020251631	1	42	0.0	-72.75	343.72	1.66	-71.09
C[C@@H]1C[NH2+]C[C@H]1N1C=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)N=N1	REAL300020251632	0	42	0.0	-82.65	343.17	2.53	-80.12
C[C@@H]1C[NH2+]C[C@H]1N1C=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)N=N1	REAL300020251632	1	42	0.0	-82.65	343.12	2.53	-80.12
[NH3+]C1CCOC(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020251633	0	40	0.0	-66.70	312.25	2.38	-64.32
[NH3+]C1CCOC(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020251633	1	40	0.0	-66.73	312.30	2.38	-64.35
[NH3+]C1CC2(C1)CCC(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)CC2	REAL300020251634	0	46	0.0	-68.29	348.95	4.59	-63.70
[NH3+]C1CC2(C1)CCC(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)CC2	REAL300020251634	1	46	0.0	-68.26	349.00	4.59	-63.67
O=C(CC1CCC2(CC[NH2+]CC2)CC1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020251635	0	52	0.0	-66.85	372.17	6.51	-60.34
O=C(CC1CCC2(CC[NH2+]CC2)CC1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251635	1	52	0.0	-66.85	372.21	6.51	-60.34
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CC2(C1)CC[NH2+]CC2	REAL300020251636	0	43	0.0	-65.41	331.37	5.01	-60.40
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CC2(C1)CC[NH2+]CC2	REAL300020251636	1	43	0.0	-65.44	331.41	5.01	-60.43
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1C[NH2+]CC2=CC=NN2C1	REAL300020251637	0	40	0.0	-70.63	320.18	3.08	-67.55
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1C[NH2+]CC2=CC=NN2C1	REAL300020251637	1	40	0.0	-70.65	320.22	3.08	-67.57
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CSC(CC2CC[NH2+]C2)=N1	REAL300020251638	0	42	0.0	-62.48	354.74	4.06	-58.42
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CSC(CC2CC[NH2+]C2)=N1	REAL300020251638	1	42	0.0	-62.52	354.79	4.08	-58.44
O=C(CC1C[NH2+]C2(CCC2)CO1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020251639	0	44	0.0	-63.14	344.04	4.31	-58.83
O=C(CC1C[NH2+]C2(CCC2)CO1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251639	1	44	0.0	-63.18	344.08	4.31	-58.87
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)SC(C(C)N)=N1	REAL300020251640	0	37	-1.0	-38.73	323.37	1.67	-37.06
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)SC(C(C)N)=N1	REAL300020251640	1	37	-1.0	-38.71	323.41	1.67	-37.04
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)SC(C(C)[NH3+])=N1	REAL300020251640	1	38	0.0	-63.25	326.69	2.01	-61.24
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)SC(CC2CC[NH2+]CC2)=N1	REAL300020251641	0	48	0.0	-64.09	388.89	5.64	-58.45
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)SC(CC2CC[NH2+]CC2)=N1	REAL300020251641	1	48	0.0	-64.07	388.93	5.65	-58.42
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CSC(CC2CC[NH2+]CC2)=N1	REAL300020251642	0	45	0.0	-69.46	369.58	4.68	-64.78
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CSC(CC2CC[NH2+]CC2)=N1	REAL300020251642	1	45	0.0	-69.51	369.63	4.68	-64.83
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CC2(C1)CCC[NH2+]C2	REAL300020251643	0	43	0.0	-62.97	330.05	5.02	-57.95
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CC2(C1)CCC[NH2+]C2	REAL300020251643	1	43	0.0	-62.97	330.09	5.02	-57.95
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CC1C1CCC[NH2+]C1	REAL300020251644	0	43	0.0	-63.20	338.37	5.40	-57.80
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CC1C1CCC[NH2+]C1	REAL300020251644	1	43	0.0	-63.19	338.42	5.41	-57.78
O=C(C[C@@H]1C[NH2+][C@@H]2COC[C@H]2O1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251645	0	42	0.0	-67.16	326.14	1.57	-65.59
O=C(C[C@@H]1CN[C@@H]2COC[C@H]2O1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020251645	1	41	-1.0	-40.85	323.27	0.36	-40.49
O=C(C[C@@H]1CN[C@@H]2COC[C@H]2O1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251645	1	41	-1.0	-40.82	323.32	0.36	-40.46
O=C(CC1CCC2C[NH2+]CCC2C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020251646	0	49	0.0	-66.92	366.06	6.34	-60.58
O=C(CC1CCC2C[NH2+]CCC2C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251646	1	49	0.0	-66.92	366.10	6.35	-60.57
NC1=C(F)C=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1F	REAL300020251647	0	32	-1.0	-38.92	285.61	3.55	-35.37
NC1=C(F)C=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1F	REAL300020251647	1	32	-1.0	-38.89	285.66	3.55	-35.34
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)SC(C2CCC[NH2+]C2)=N1	REAL300020251648	0	45	0.0	-62.54	368.49	4.76	-57.78
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)SC(C2CCC[NH2+]C2)=N1	REAL300020251648	1	45	0.0	-62.56	368.54	4.76	-57.80
CC([NH3+])CN1C=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=N1	REAL300020251649	0	39	0.0	-68.68	327.49	2.28	-66.40
CC([NH3+])CN1C=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=N1	REAL300020251649	1	39	0.0	-68.69	327.45	2.28	-66.41
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(F)C2=C1CC[NH2+]C2	REAL300020251650	0	40	0.0	-65.73	322.31	5.58	-60.15
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=C(F)C2=C1CCNC2	REAL300020251650	1	39	-1.0	-38.74	318.20	4.18	-34.56
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=C(F)C2=C1CCNC2	REAL300020251650	1	39	-1.0	-38.74	318.24	4.19	-34.55
[NH3+]C(CC1=CN=CC(Br)=C1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251651	0	38	0.0	-58.40	338.19	3.02	-55.38
NC(CC1=CN=CC(Br)=C1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251651	1	37	-1.0	-36.47	338.47	2.82	-33.65
CC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC(C)=C1C[NH3+]	REAL300020251652	0	42	0.0	-76.57	336.28	4.54	-72.03
CC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC(C)=C1C[NH3+]	REAL300020251652	1	42	0.0	-76.55	336.33	4.54	-72.01
C[NH2+]CC1=C(C)C=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1C	REAL300020251653	0	45	0.0	-70.15	358.02	6.41	-63.74
C[NH2+]CC1=C(C)C=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1C	REAL300020251653	1	45	0.0	-70.23	358.07	6.42	-63.81
COC1C[NH2+]CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020251654	0	40	0.0	-56.88	315.88	2.48	-54.40
COC1C[NH2+]CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020251654	1	40	0.0	-56.89	315.92	2.48	-54.41
[NH3+]CC1CC(CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CO1	REAL300020251655	0	40	0.0	-66.27	320.39	1.47	-64.80
[NH3+]CC1CC(CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CO1	REAL300020251655	1	40	0.0	-65.83	319.42	1.46	-64.37
[NH3+]CC(CC1=CC=CC=C1)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020251656	0	42	0.0	-59.09	332.36	4.91	-54.18
[NH3+]CC(CC1=CC=CC=C1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251656	1	42	0.0	-43.70	333.67	4.93	-38.77
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1COC2(C1)CC[NH2+]CC2	REAL300020251657	0	44	0.0	-60.03	336.62	3.34	-56.69
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1COC2(C1)CC[NH2+]CC2	REAL300020251657	1	44	0.0	-60.04	336.66	3.35	-56.69
O=C(CC1CC[NH2+]CCC1(F)F)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020251658	0	42	0.0	-64.60	322.18	4.57	-60.03
O=C(CC1CC[NH2+]CCC1(F)F)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251658	1	42	0.0	-64.63	322.23	4.57	-60.06
C[NH2+]CC1=CC=CC(OCC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=C1	REAL300020251659	0	43	0.0	-66.72	356.60	5.84	-60.88
C[NH2+]CC1=CC=CC(OCC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020251659	1	43	0.0	-66.70	356.64	5.84	-60.86
CC1(C)C(C[NH3+])CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)S1(=O)=O	REAL300020251660	0	45	0.0	-75.91	358.79	1.39	-74.52
CC1(C)C(C[NH3+])CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)S1(=O)=O	REAL300020251660	1	45	0.0	-89.77	357.83	1.37	-88.40
[NH3+]C(CCC(=O)OCC1=CC=CC=C1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251661	0	48	0.0	-64.31	399.83	6.05	-58.26
[NH3+]CC(CC1=CC=C(F)C=C1)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020251662	0	42	0.0	-65.69	340.48	4.93	-60.76
[NH3+]CC(CC1=CC=C(F)C=C1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251662	1	42	0.0	-65.75	340.53	4.93	-60.82
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)SC(CC[NH3+])=N1	REAL300020251663	0	38	0.0	-69.11	328.53	2.10	-67.01
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)SC(CC[NH3+])=N1	REAL300020251663	1	38	0.0	-69.07	328.57	2.10	-66.97
O=C(CC1C[NH2+]C2(C1)CCOCC2)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020251664	0	47	0.0	-53.59	355.43	4.06	-49.53
O=C(CC1C[NH2+]C2(C1)CCOCC2)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251664	1	47	0.0	-53.63	355.47	4.06	-49.57
[NH3+]C1CCN(C2=CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)=CC=N2)CC1	REAL300020251665	0	47	0.0	-74.31	371.53	3.40	-70.91
[NH3+]C1CCN(C2=CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)=CC=N2)CC1	REAL300020251665	1	47	0.0	-74.30	371.49	3.40	-70.90
O=C(COCC1CC[NH2+]CC1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020251666	0	43	0.0	-65.45	342.29	4.38	-61.07
O=C(COCC1CC[NH2+]CC1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251666	1	43	0.0	-65.43	342.34	4.39	-61.04
[NH3+]C(CC1=CC=C(Br)N=C1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251667	0	38	0.0	-62.78	338.30	2.97	-59.81
NC(CC1=CC=C(Br)N=C1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251667	1	37	-1.0	-36.88	335.30	2.59	-34.29
O=C(CCC1CC2=CC=CC=C2C[NH2+]1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020251668	0	46	0.0	-61.02	363.64	7.10	-53.92
O=C(CCC1CC2=CC=CC=C2C[NH2+]1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251668	1	46	0.0	-61.09	363.68	7.10	-53.99
CC1=CC=C(CC(C[NH3+])C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020251669	0	45	0.0	-69.45	358.30	5.58	-63.87
CC1=CC=C(CC(C[NH3+])C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020251669	1	45	0.0	-69.46	358.36	5.58	-63.88
[NH3+]C(CC1=COC2=CC=CC=C12)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251670	0	42	0.0	-53.14	349.23	4.65	-48.49
NC(CC1=COC2=CC=CC=C12)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020251670	1	41	-1.0	-40.75	345.20	4.27	-36.48
NC(CC1=COC2=CC=CC=C12)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251670	1	41	-1.0	-39.44	346.30	4.31	-35.13
CS(=O)(=O)CC[C@@H](N)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020251671	0	37	-1.0	-50.48	324.11	-1.49	-51.97
CS(=O)(=O)CC[C@@H]([NH3+])C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251671	1	38	0.0	-80.33	327.25	-1.17	-81.50
CS(=O)(=O)CC[C@@H](N)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251671	1	37	-1.0	-50.51	324.16	-1.49	-52.00
O=C(CC12CCCCC1[NH2+]CCC2)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020251672	0	49	0.0	-60.74	346.58	5.98	-54.76
O=C(CC12CCCCC1[NH2+]CCC2)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251672	1	49	0.0	-57.12	345.62	5.95	-51.17
[NH3+][C@H](CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=CN=C1	REAL300020251673	0	38	0.0	-60.01	313.26	2.61	-57.40
[NH3+][C@H](CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=CN=C1	REAL300020251673	1	38	0.0	-59.93	313.21	2.61	-57.32
CC1(C)C[NH2+]CCC1CC(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020251674	0	45	0.0	-62.72	331.44	4.83	-57.89
CC1(C)C[NH2+]CCC1CC(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251674	1	45	0.0	-62.74	331.49	4.85	-57.89
[NH3+]CC12C3C4C1C1C2C3C41C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020251675	0	40	0.0	-76.79	322.63	4.70	-72.09
[NH3+]CC12C3C4C1C1C2C3C41C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251675	1	40	0.0	-76.81	322.68	4.70	-72.11
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)[C@H]1CO[C@H]2C[NH2+]C[C@H]21	REAL300020251676	0	38	0.0	-43.70	296.69	1.78	-41.92
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)[C@H]1CO[C@H]2C[NH2+]C[C@H]21	REAL300020251676	1	38	0.0	-43.75	296.73	1.78	-41.97
O=C(C[C@@H]1CC2=CC=CC=C2N1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020251677	0	39	-1.0	-40.00	323.21	5.54	-34.46
O=C(C[C@@H]1CC2=CC=CC=C2N1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251677	1	39	-1.0	-39.98	323.26	5.54	-34.44
NC1=C2C=CN(CC(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C2=CC=C1	REAL300020251678	0	39	-1.0	-43.20	333.10	5.50	-37.70
NC1=C2C=CN(CC(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C2=CC=C1	REAL300020251678	1	39	-1.0	-43.23	333.14	5.48	-37.75
COC1=CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)=CC=C1C[NH3+]	REAL300020251679	0	40	0.0	-68.60	330.36	2.86	-65.74
COC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CC=C1C[NH3+]	REAL300020251679	1	40	0.0	-68.56	330.40	2.87	-65.69
CC1(C)C[NH2+]CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)O1	REAL300020251680	0	40	0.0	-59.76	312.76	3.28	-56.48
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1(C(F)F)CC[NH2+]CC1	REAL300020251681	0	39	0.0	-59.33	307.15	4.03	-55.30
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1(C(F)F)CC[NH2+]CC1	REAL300020251681	1	39	0.0	-59.34	307.19	4.04	-55.30
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CNCC2=NC=CN2C1	REAL300020251682	0	39	-1.0	-39.56	316.37	2.56	-37.00
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1C[NH2+]CC2=NC=CN2C1	REAL300020251682	1	40	0.0	-62.90	319.70	3.87	-59.03
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CNCC2=NC=CN2C1	REAL300020251682	1	39	-1.0	-39.55	316.41	2.57	-36.98
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CSC(CC2CCC[NH2+]C2)=N1	REAL300020251683	0	45	0.0	-49.25	370.72	4.86	-44.39
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CSC(CC2CCC[NH2+]C2)=N1	REAL300020251683	1	45	0.0	-49.26	370.76	4.86	-44.40
CC1=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)SC(CC2CC[NH2+]C2)=N1	REAL300020251684	0	45	0.0	-61.09	373.26	4.88	-56.21
CC1=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)SC(CC2CC[NH2+]C2)=N1	REAL300020251684	1	45	0.0	-61.06	373.30	4.89	-56.17
[NH3+]C(CC1=C2C=CC=CC2=NN1)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251685	0	42	0.0	-57.88	347.21	2.90	-54.98
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)[C@H]1[NH2+][C@H]2C[C@@H]1C[C@@H]2O	REAL300020251686	0	38	0.0	-48.06	300.38	0.40	-47.66
O=C(CCNOCC1=CC=CC=C1)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020251687	0	42	-1.0	-41.00	359.38	5.35	-35.65
O=C(CCNOCC1=CC=CC=C1)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251687	1	42	-1.0	-41.05	359.43	5.34	-35.71
[NH3+]CCCCC(CC(F)(F)F)C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020251688	0	44	0.0	-71.64	355.58	4.17	-67.47
[NH3+]CCCCC(CC(F)(F)F)C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251688	1	44	0.0	-71.65	355.61	4.17	-67.48
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1C[NH2+]C2(C1)CCOCC2	REAL300020251689	0	44	0.0	-55.28	334.37	3.31	-51.97
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1C[NH2+]C2(C1)CCOCC2	REAL300020251689	1	44	0.0	-55.32	334.42	3.31	-52.01
CC1(C)COC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C[NH2+]1	REAL300020251690	0	40	0.0	-54.91	314.19	3.17	-51.74
CC1(C)COC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CN1	REAL300020251690	1	39	-1.0	-39.73	311.48	1.97	-37.76
O=C([O-])C1CC12CCC(C(=O)NC1=CC=CC=C1C1=N[N-]N=N1)C2	REAL300020251691	0	39	-2.0	-91.09	325.58	6.87	-84.22
O=C([O-])C1CC12CCC(C(=O)NC1=CC=CC=C1C1=NN=N[N-]1)C2	REAL300020251691	1	39	-2.0	-91.05	325.62	6.88	-84.17
[NH3+]C1CC2(C1)CC1(CC(C(=O)NC3=CC=CC=C3C3=N[N-]N=N3)C1)C2	REAL300020251692	0	47	0.0	-72.29	368.64	5.41	-66.88
[NH3+]C1CC2(C1)CC1(CC(C(=O)NC3=CC=CC=C3C3=NN=N[N-]3)C1)C2	REAL300020251692	1	47	0.0	-72.27	368.68	5.41	-66.86
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC=NC2=C1C[NH2+]CC2	REAL300020251693	0	39	0.0	-63.05	311.34	3.68	-59.37
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC=NC2=C1C[NH2+]CC2	REAL300020251693	1	39	0.0	-63.09	311.39	3.68	-59.41
COC1=CC=C(CC([NH3+])C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1OC	REAL300020251694	0	47	0.0	-58.12	381.71	3.50	-54.62
COC1=CC=C(C([NH3+])CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=N1	REAL300020251695	0	42	0.0	-56.91	346.47	1.09	-55.82
COC1=CC=C(C([NH3+])CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=N1	REAL300020251695	1	42	0.0	-56.88	346.42	1.08	-55.80
N#CC1=CC=CC(CC([NH3+])C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020251696	0	40	0.0	-64.77	343.82	4.68	-60.09
N#CC1=CC=CC(CC(N)C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=C1	REAL300020251696	1	39	-1.0	-38.37	340.79	4.36	-34.01
CC(C)[C@@H]1C[NH2+]C[C@H]1C(=O)NC1=CC=CC=C1C1=N[N-]N=N1	REAL300020251697	0	42	0.0	-52.83	322.96	4.21	-48.62
CC(C)[C@@H]1C[NH2+]C[C@H]1C(=O)NC1=CC=CC=C1C1=NN=N[N-]1	REAL300020251697	1	42	0.0	-52.87	323.01	4.21	-48.66
COC(=O)C1=CC=C(C[C@H]([NH3+])C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020251698	0	45	0.0	-60.48	376.76	4.93	-55.55
COC(=O)C1=CC=C(C[C@H](N)C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020251698	1	44	-1.0	-39.74	377.05	4.66	-35.08
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1C[NH2+]C2(CCC2)CO1	REAL300020251699	0	41	0.0	-53.99	322.33	3.79	-50.20
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1CNC2(CCC2)CO1	REAL300020251699	1	40	-1.0	-39.52	320.98	2.59	-36.93
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1CNC2(CCC2)CO1	REAL300020251699	1	40	-1.0	-39.51	321.03	2.60	-36.91
[NH3+]CCN1CCC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)CC1	REAL300020251700	0	44	0.0	-66.57	341.21	1.32	-65.25
[NH3+]CCN1CCC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)CC1	REAL300020251700	1	44	0.0	-66.52	341.25	1.32	-65.20
O=C(NC1=CC=CC=C1C1=N[N-]N=N1)C1=CC(=O)NC2=C1C[NH2+]CC2	REAL300020251701	0	40	0.0	-81.83	321.46	2.34	-79.49
O=C(NC1=CC=CC=C1C1=NN=N[N-]1)C1=CC(=O)NC2=C1C[NH2+]CC2	REAL300020251701	1	40	0.0	-81.85	321.51	2.34	-79.51
CN(C)C1C[NH2+]CC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020251702	0	44	0.0	-57.34	332.45	1.63	-55.71
CN(C)C1C[NH2+]CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020251702	1	44	0.0	-57.37	332.50	1.65	-55.72
[NH3+]C1CC2(C1)C1CCC[N@@H+]1CCN2C(=O)CCC1=N[N-]N=N1	REAL300020251703	0	46	1.0	-94.18	320.24	2.98	-91.20
[NH3+]C1CC2(C1)C1CCC[N@H+]1CCN2C(=O)CCC1=N[N-]N=N1	REAL300020251703	1	46	1.0	-107.20	329.12	2.27	-104.93
[NH3+]C1CC2(C1)C1CCC[N@@H+]1CCN2C(=O)CCC1=NN=N[N-]1	REAL300020251703	1	46	1.0	-94.20	320.30	2.99	-91.21
[NH3+]C1CC2(C1)C1CCC[N@H+]1CCN2C(=O)CCC1=NN=N[N-]1	REAL300020251703	1	46	1.0	-107.19	329.18	2.28	-104.91
[NH3+]CCCCN1C=C(C(=O)N2CCCC2C2=NN=N[N-]2)N=N1	REAL300020251704	0	41	0.0	-84.62	336.67	0.31	-84.31
[NH3+]CCCCN1C=C(C(=O)N2CCCC2C2=N[N-]N=N2)N=N1	REAL300020251704	1	41	0.0	-84.68	336.61	0.28	-84.40
O=C(C1=NOC2(C1)CC[NH2+]CC2)N1CCCC1C1=N[N-]N=N1	REAL300020251705	0	41	0.0	-74.48	320.85	1.58	-72.90
O=C(C1=NOC2(C1)CC[NH2+]CC2)N1CCCC1C1=NN=N[N-]1	REAL300020251705	1	41	0.0	-74.46	320.90	1.61	-72.85
NC1=CC=C(CC2=NC(C(=O)N3CCCC3C3=N[N-]N=N3)=CS2)C=C1	REAL300020251706	0	41	-1.0	-55.31	357.08	3.79	-51.52
NC1=CC=C(CC2=NC(C(=O)N3CCCC3C3=NN=N[N-]3)=CS2)C=C1	REAL300020251706	1	41	-1.0	-55.37	357.14	3.82	-51.55
O=C(C1=CN(C2CCC[NH2+]C2)N=C1)N1CCCC1C1=NN=N[N-]1	REAL300020251707	0	43	0.0	-80.47	334.34	2.17	-78.30
O=C(C1=CN(C2CCC[NH2+]C2)N=C1)N1CCCC1C1=N[N-]N=N1	REAL300020251707	1	43	0.0	-80.51	334.28	2.15	-78.36
[NH3+]C1CCCCN(CC(=O)N2CCCC2C2=N[N-]N=N2)C1=O	REAL300020251708	0	43	0.0	-83.20	320.16	1.36	-81.84
[NH3+]C1CCCCN(CC(=O)N2CCCC2C2=NN=N[N-]2)C1=O	REAL300020251708	1	43	0.0	-83.23	320.22	1.39	-81.84
[NH3+]C(CCC(=O)N1CCCC1C1=N[N-]N=N1)CC1CCCCC1	REAL300020251709	0	51	0.0	-87.18	376.64	4.33	-82.85
[NH3+]C(CCC(=O)N1CCCC1C1=NN=N[N-]1)CC1CCCCC1	REAL300020251709	1	51	0.0	-87.21	376.70	4.36	-82.85
COC1=CC=CC(NCC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020251710	0	39	-1.0	-53.54	321.61	2.24	-51.30
COC1=CC=CC(NCC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020251710	1	39	-1.0	-53.58	321.67	2.26	-51.32
O=C(C1=CN=C(C2CC[NH2+]CC2)O1)N1CCCC1C1=N[N-]N=N1	REAL300020251711	0	42	0.0	-84.32	334.63	0.33	-83.99
O=C(C1=CN=C(C2CC[NH2+]CC2)O1)N1CCCC1C1=NN=N[N-]1	REAL300020251711	1	42	0.0	-84.31	334.69	0.35	-83.96
O=C(C1=CC2=C(CC[NH2+]C2)S1)N1CCCC1C1=N[N-]N=N1	REAL300020251712	0	37	0.0	-84.90	303.38	2.75	-82.15
O=C(C1=CC2=C(CC[NH2+]C2)S1)N1CCCC1C1=NN=N[N-]1	REAL300020251712	1	37	0.0	-84.95	303.44	2.77	-82.18
[NH3+]CC1CCCC2=CC=C(C(=O)N3CCCC3C3=N[N-]N=N3)C=C21	REAL300020251713	0	46	0.0	-78.90	347.23	3.90	-75.00
[NH3+]CC1CCCC2=CC=C(C(=O)N3CCCC3C3=NN=N[N-]3)C=C21	REAL300020251713	1	46	0.0	-78.87	347.29	3.92	-74.95
O=C(C1=CN(C2CCC[NH2+]CC2)N=N1)N1CCCC1C1=NN=N[N-]1	REAL300020251714	0	45	0.0	-82.99	346.49	1.81	-81.18
O=C(C1=CN(C2CCC[NH2+]CC2)N=N1)N1CCCC1C1=N[N-]N=N1	REAL300020251714	1	45	0.0	-83.02	346.44	1.78	-81.24
O=C(C1=CNN=C1C1CC[NH2+]C1)N1CCCC1C1=N[N-]N=N1	REAL300020251715	0	40	0.0	-69.85	315.21	0.81	-69.04
O=C(C1=CNN=C1C1CC[NH2+]C1)N1CCCC1C1=NN=N[N-]1	REAL300020251715	1	40	0.0	-69.84	315.27	0.82	-69.02
C[C@H](OCC1=CC=CC=C1)[C@@H]([NH3+])C(=O)N1CCCC1C1=N[N-]N=N1	REAL300020251716	0	46	0.0	-70.46	362.94	2.86	-67.60
C[C@H](OCC1=CC=CC=C1)[C@@H]([NH3+])C(=O)N1CCCC1C1=NN=N[N-]1	REAL300020251716	1	46	0.0	-70.52	363.02	2.88	-67.64
C[C@H](OCC1=CC=CC=C1)[C@@H](N)C(=O)N1CCCC1C1=N[N-]N=N1	REAL300020251716	1	45	-1.0	-58.27	359.95	2.52	-55.75
COC1=CC=CC(CC([NH3+])C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020251717	0	43	0.0	-61.57	343.01	1.94	-59.63
COC1=CC=CC(CC([NH3+])C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020251717	1	43	0.0	-61.54	343.07	1.97	-59.57
NC1=CC=CC(CC(=O)N2CCCC2C2=N[N-]N=N2)=C1Cl	REAL300020251718	0	35	-1.0	-51.84	306.21	3.03	-48.81
NC1=CC=CC(CC(=O)N2CCCC2C2=NN=N[N-]2)=C1Cl	REAL300020251718	1	35	-1.0	-51.81	306.26	3.06	-48.75
O=C(C1=C(Br)C2=C(CNC2)S1)N1CCCC1C1=N[N-]N=N1	REAL300020251719	0	33	-1.0	-53.75	299.92	1.04	-52.71
O=C(C1=C(Br)C2=C(CNC2)S1)N1CCCC1C1=NN=N[N-]1	REAL300020251719	1	33	-1.0	-53.75	299.98	1.06	-52.69
O=C(C1=C(Br)C2=C(C[NH2+]C2)S1)N1CCCC1C1=NN=N[N-]1	REAL300020251719	1	34	0.0	-86.27	304.16	2.67	-83.60
O=C(C1=CC(C2CC[NH2+]CC2)=NO1)N1CCCC1C1=N[N-]N=N1	REAL300020251720	0	42	0.0	-75.74	332.55	2.65	-73.09
O=C(C1=CC(C2CC[NH2+]CC2)=NO1)N1CCCC1C1=NN=N[N-]1	REAL300020251720	1	42	0.0	-75.74	332.61	2.67	-73.07
O=C(C1=NOC2(C1)CCC[NH2+]C2)N1CCCC1C1=N[N-]N=N1	REAL300020251721	0	41	0.0	-66.22	320.75	1.57	-64.65
O=C(C1=NOC2(C1)CCC[NH2+]C2)N1CCCC1C1=NN=N[N-]1	REAL300020251721	1	41	0.0	-66.21	320.80	1.59	-64.62
O=C(CC1=CC=CC2=C1CC[NH2+]C2)N1CCCC1C1=N[N-]N=N1	REAL300020251722	0	43	0.0	-78.01	336.09	4.61	-73.40
O=C(CC1=CC=CC2=C1CC[NH2+]C2)N1CCCC1C1=NN=N[N-]1	REAL300020251722	1	43	0.0	-77.99	336.14	4.64	-73.35
O=C(C1=C(C(F)F)N(C2CC[NH2+]CC2)N=N1)N1CCCC1C1=N[N-]N=N1	REAL300020251723	0	45	0.0	-78.78	362.68	2.29	-76.49
O=C(C1=C(C(F)F)N(C2CC[NH2+]CC2)N=N1)N1CCCC1C1=NN=N[N-]1	REAL300020251723	1	45	0.0	-78.81	362.74	2.32	-76.49
C[N@@H+](CC1=CC=CC=C1)CC(N)C(=O)N1CCCC1C1=N[N-]N=N1	REAL300020251724	0	47	0.0	-69.51	364.72	3.61	-65.90
C[N@H+](CC1=CC=CC=C1)CC(N)C(=O)N1CCCC1C1=N[N-]N=N1	REAL300020251724	1	47	0.0	-76.40	362.92	3.66	-72.74
C[N@@H+](CC1=CC=CC=C1)CC(N)C(=O)N1CCCC1C1=NN=N[N-]1	REAL300020251724	1	47	0.0	-69.55	364.78	3.64	-65.91
C[N@H+](CC1=CC=CC=C1)CC(N)C(=O)N1CCCC1C1=NN=N[N-]1	REAL300020251724	1	47	0.0	-76.45	362.98	3.69	-72.76
[NH3+]C1(CC(=O)N2CCCC2C2=N[N-]N=N2)CCN(CC2=CC=CC=C2)CC1	REAL300020251725	0	54	0.0	-51.88	398.24	3.10	-48.78
[NH3+]C1(CC(=O)N2CCCC2C2=NN=N[N-]2)CCN(CC2=CC=CC=C2)CC1	REAL300020251725	1	54	0.0	-51.88	398.29	3.13	-48.75
O=C(C1=CSC(C2CC[NH2+]CC2)=N1)N1CCCC1C1=N[N-]N=N1	REAL300020251726	0	42	0.0	-89.41	341.31	2.95	-86.46
O=C(C1=CSC(C2CC[NH2+]CC2)=N1)N1CCCC1C1=NN=N[N-]1	REAL300020251726	1	42	0.0	-89.41	341.37	2.97	-86.44
O=C(C1=CNC(C2CC[NH2+]CC2)=N1)N1CCCC1C1=N[N-]N=N1	REAL300020251727	0	43	0.0	-89.82	336.56	2.51	-87.31
O=C(C1=CNC(C2CC[NH2+]CC2)=N1)N1CCCC1C1=NN=N[N-]1	REAL300020251727	1	43	0.0	-89.82	336.62	2.53	-87.29
CC(C)C([NH3+])C(=O)NCCC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020251728	0	45	0.0	-82.63	352.64	0.06	-82.57
CC(C)C([NH3+])C(=O)NCCC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020251728	1	45	0.0	-82.66	352.70	0.08	-82.58
O=C(C1=CC=NC(N2CC[NH2+]CC2)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020251729	0	44	0.0	-60.89	334.05	1.31	-59.58
O=C(C1=CC=NC(N2CC[NH2+]CC2)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020251729	1	44	0.0	-60.87	333.98	1.31	-59.56
CC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)SC(C2CC[NH2+]CC2)=N1	REAL300020251730	0	45	0.0	-84.03	358.34	2.96	-81.07
CC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)SC(C2CC[NH2+]CC2)=N1	REAL300020251730	1	45	0.0	-84.04	358.39	2.97	-81.07
[NH3+]C1CCOC2(CC(C(=O)N3CCCC3C3=N[N-]N=N3)C2)C1	REAL300020251731	0	44	0.0	-81.43	336.84	0.93	-80.50
[NH3+]C1CCOC2(CC(C(=O)N3CCCC3C3=NN=N[N-]3)C2)C1	REAL300020251731	1	44	0.0	-81.40	336.90	0.95	-80.45
O=C(C1=CN=C(CC2CC[NH2+]CC2)S1)N1CCCC1C1=N[N-]N=N1	REAL300020251732	0	45	0.0	-83.78	359.79	3.05	-80.73
O=C(C1=CN=C(CC2CC[NH2+]CC2)S1)N1CCCC1C1=NN=N[N-]1	REAL300020251732	1	45	0.0	-83.80	359.85	3.07	-80.73
[NH3+]C(CC1=CC2=CC=CC=C2O1)C(=O)N1CCCC1C1=N[N-]N=N1	REAL300020251733	0	42	0.0	-61.07	342.68	3.20	-57.87
[NH3+]C(CC1=CC2=CC=CC=C2O1)C(=O)N1CCCC1C1=NN=N[N-]1	REAL300020251733	1	42	0.0	-61.08	342.74	3.22	-57.86
NC(CC1=CC2=CC=CC=C2O1)C(=O)N1CCCC1C1=N[N-]N=N1	REAL300020251733	1	41	-1.0	-49.98	340.25	2.84	-47.14
NC(CC1=CC2=CC=CC=C2O1)C(=O)N1CCCC1C1=NN=N[N-]1	REAL300020251733	1	41	-1.0	-49.99	340.31	2.87	-47.12
N#CC1C[NH2+]CC12CC(C(=O)N1CCCC1C1=N[N-]N=N1)C2	REAL300020251734	0	41	0.0	-83.55	316.37	2.42	-81.13
N#CC1C[NH2+]CC12CC(C(=O)N1CCCC1C1=NN=N[N-]1)C2	REAL300020251734	1	41	0.0	-83.56	316.43	2.45	-81.11
CS(=O)(=O)CC[C@H]([NH3+])C(=O)N1CCCC1C1=N[N-]N=N1	REAL300020251735	0	38	0.0	-77.80	317.04	-2.83	-80.63
CS(=O)(=O)CC[C@H]([NH3+])C(=O)N1CCCC1C1=NN=N[N-]1	REAL300020251735	1	38	0.0	-77.79	317.10	-2.80	-80.59
CS(=O)(=O)CC[C@H](N)C(=O)N1CCCC1C1=N[N-]N=N1	REAL300020251735	1	37	-1.0	-68.08	314.70	-3.13	-71.21
CS(=O)(=O)CC[C@H](N)C(=O)N1CCCC1C1=NN=N[N-]1	REAL300020251735	1	37	-1.0	-68.06	314.76	-3.10	-71.16
[NH3+]CCC1=CN2N=CC(C(=O)N3CCCC3C3=NN=N[N-]3)=C2N=C1	REAL300020251736	0	41	0.0	-103.70	336.47	1.33	-102.37
[NH3+]CCC1=CN2N=CC(C(=O)N3CCCC3C3=N[N-]N=N3)=C2N=C1	REAL300020251736	1	41	0.0	-103.70	336.41	1.31	-102.39
O=C(CC1CS(=O)(=O)C2C[NH2+]CC12)N1CCCC1C1=N[N-]N=N1	REAL300020251737	0	43	0.0	-101.56	336.03	-0.45	-102.01
O=C(CC1CS(=O)(=O)C2C[NH2+]CC12)N1CCCC1C1=NN=N[N-]1	REAL300020251737	1	43	0.0	-101.54	336.09	-0.42	-101.96
[NH3+][C@H](CC(=O)N1CCCC1C1=N[N-]N=N1)CC1=CC=CC=C1	REAL300020251738	0	42	0.0	-64.63	333.62	3.69	-60.94
[NH3+][C@H](CC(=O)N1CCCC1C1=NN=N[N-]1)CC1=CC=CC=C1	REAL300020251738	1	42	0.0	-64.67	333.68	3.72	-60.95
O=C(C1CNCCS1(=O)=O)N1CCCC1C1=N[N-]N=N1	REAL300020251739	0	35	-1.0	-69.46	292.28	-2.66	-72.12
O=C(C1CNCCS1(=O)=O)N1CCCC1C1=NN=N[N-]1	REAL300020251739	1	35	-1.0	-69.48	292.34	-2.65	-72.13
O=C(C1=CC=CC2=C1OCC[NH2+]C2)N1CCCC1C1=N[N-]N=N1	REAL300020251740	0	41	0.0	-86.64	320.77	3.45	-83.19
O=C(C1=CC=CC2=C1OCC[NH2+]C2)N1CCCC1C1=NN=N[N-]1	REAL300020251740	1	41	0.0	-86.67	320.82	3.46	-83.21
[NH3+]C1CCCN2N=C(C(=O)N3CCCC3C3=N[N-]N=N3)C=C12	REAL300020251741	0	40	0.0	-83.56	317.01	0.85	-82.71
[NH3+]C1CCCN2N=C(C(=O)N3CCCC3C3=NN=N[N-]3)C=C12	REAL300020251741	1	40	0.0	-83.53	317.07	0.87	-82.66
O=C(C1CC(=O)N(C2C[NH2+]C2)C1)N1CCCC1C1=N[N-]N=N1	REAL300020251742	0	41	0.0	-72.06	321.15	0.74	-71.32
O=C(C1CC(=O)N(C2C[NH2+]C2)C1)N1CCCC1C1=NN=N[N-]1	REAL300020251742	1	41	0.0	-72.11	321.21	0.76	-71.35
CCOC1=CC=CC=C1[C@@H]([NH3+])CC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020251743	0	46	0.0	-50.27	361.94	3.26	-47.01
CCOC1=CC=CC=C1[C@@H]([NH3+])CC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020251743	1	46	0.0	-50.27	362.00	3.28	-46.99
CCOC1=CC=CC=C1[C@H]([NH3+])CC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020251744	0	46	0.0	-62.01	362.11	3.25	-58.76
CCOC1=CC=CC=C1[C@H]([NH3+])CC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020251744	1	46	0.0	-62.04	362.17	3.28	-58.76
O=C(CCCCC1CC[NH2+]CC1)N1CCCC1C1=N[N-]N=N1	REAL300020251745	0	48	0.0	-78.87	362.87	4.81	-74.06
O=C(CCCCC1CC[NH2+]CC1)N1CCCC1C1=NN=N[N-]1	REAL300020251745	1	48	0.0	-78.85	362.93	4.84	-74.01
[NH3+][C@H](CC(=O)N1CCCC1C1=N[N-]N=N1)CC1=CC=C(Br)C=C1	REAL300020251746	0	42	0.0	-68.17	354.91	4.32	-63.85
[NH3+][C@H](CC(=O)N1CCCC1C1=NN=N[N-]1)CC1=CC=C(Br)C=C1	REAL300020251746	1	42	0.0	-68.23	354.97	4.34	-63.89
[NH3+]CC1=CN2C=C(C(=O)N3CCCC3C3=NN=N[N-]3)N=C2C=C1	REAL300020251747	0	39	0.0	-98.63	322.80	2.94	-95.69
[NH3+]CC1=CN2C=C(C(=O)N3CCCC3C3=N[N-]N=N3)N=C2C=C1	REAL300020251747	1	39	0.0	-98.65	322.74	2.92	-95.73
[NH3+]CCN1C=C(Br)C=C(C(=O)N2CCCC2C2=N[N-]N=N2)C1=O	REAL300020251748	0	39	0.0	-101.32	346.65	1.60	-99.72
[NH3+]CCN1C=C(Br)C=C(C(=O)N2CCCC2C2=NN=N[N-]2)C1=O	REAL300020251748	1	39	0.0	-101.28	346.71	1.61	-99.67
[NH3+]CCN1CCCC(C(=O)N2CCCC2C2=N[N-]N=N2)C1=O	REAL300020251749	0	43	0.0	-83.76	337.66	1.17	-82.59
[NH3+]CCN1CCCC(C(=O)N2CCCC2C2=NN=N[N-]2)C1=O	REAL300020251749	1	43	0.0	-83.74	337.72	1.19	-82.55
CCCCCCCCC([NH3+])C(=O)N1CCCC1C1=N[N-]N=N1	REAL300020251750	0	50	0.0	-66.62	383.14	4.34	-62.28
CCCCCCCCC([NH3+])C(=O)N1CCCC1C1=NN=N[N-]1	REAL300020251750	1	50	0.0	-66.66	383.19	4.36	-62.30
CC1[NH2+]CCN2C(C(=O)N3CCCC3C3=N[N-]N=N3)=CC=C12	REAL300020251751	0	41	0.0	-78.12	315.42	2.92	-75.20
CC1[NH2+]CCN2C(C(=O)N3CCCC3C3=NN=N[N-]3)=CC=C12	REAL300020251751	1	41	0.0	-78.08	315.48	2.93	-75.15
[NH3+]C1CCC2=CC(C(=O)N3CCCC3C3=N[N-]N=N3)=CC=C2NC1=O	REAL300020251752	0	44	0.0	-87.52	343.02	0.98	-86.54
[NH3+]C1CCC2=CC(C(=O)N3CCCC3C3=NN=N[N-]3)=CC=C2NC1=O	REAL300020251752	1	44	0.0	-87.55	343.07	1.00	-86.55
[NH3+]CCCC1=CC=C(OCC(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020251753	0	46	0.0	-91.42	372.01	4.19	-87.23
[NH3+]CCCC1=CC=C(OCC(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020251753	1	46	0.0	-91.45	372.06	4.21	-87.24
O=C(CC1CNCCS1(=O)=O)N1CCCC1C1=N[N-]N=N1	REAL300020251754	0	38	-1.0	-71.18	310.67	-1.36	-72.54
O=C(CC1CNCCS1(=O)=O)N1CCCC1C1=NN=N[N-]1	REAL300020251754	1	38	-1.0	-71.17	310.73	-1.33	-72.50
[NH3+][C@@H](CC(=O)N1CCCC1C1=N[N-]N=N1)CC1=CC=CC=C1	REAL300020251755	0	42	0.0	-64.69	333.66	3.68	-61.01
[NH3+][C@@H](CC(=O)N1CCCC1C1=NN=N[N-]1)CC1=CC=CC=C1	REAL300020251755	1	42	0.0	-64.65	333.71	3.71	-60.94
[NH3+][C@@H](CC(=O)N1CCCC1C1=N[N-]N=N1)CC1CCCCC1	REAL300020251756	0	48	0.0	-53.97	354.74	3.86	-50.11
[NH3+][C@@H](CC(=O)N1CCCC1C1=NN=N[N-]1)CC1CCCCC1	REAL300020251756	1	48	0.0	-54.03	354.79	3.89	-50.14
CC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)N=C(C(C)[NH3+])S1	REAL300020251757	0	38	0.0	-89.17	316.67	0.99	-88.18
CC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)N=C(C(C)[NH3+])S1	REAL300020251757	1	38	0.0	-89.19	316.74	1.01	-88.18
CC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)N=C(C(C)N)S1	REAL300020251757	1	37	-1.0	-53.43	314.64	0.67	-52.76
CC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)N=C(C(C)N)S1	REAL300020251757	1	37	-1.0	-53.40	314.70	0.69	-52.71
O=C(C1=CSC(N2CC[NH2+]CC2)=N1)N1CCCC1C1=NN=N[N-]1	REAL300020251758	0	41	0.0	-87.60	335.17	1.54	-86.06
O=C(C1=CSC(N2CC[NH2+]CC2)=N1)N1CCCC1C1=N[N-]N=N1	REAL300020251758	1	41	0.0	-87.61	335.11	1.51	-86.10
O=C(C1=CC=C2OCC[NH2+]CC2=C1)N1CCCC1C1=N[N-]N=N1	REAL300020251759	0	41	0.0	-83.95	319.77	2.40	-81.55
O=C(C1=CC=C2OCC[NH2+]CC2=C1)N1CCCC1C1=NN=N[N-]1	REAL300020251759	1	41	0.0	-83.94	319.83	2.43	-81.51
CC1CN2N=C(C(=O)N3CCCC3C3=N[N-]N=N3)C=C2CN1	REAL300020251760	0	39	-1.0	-55.22	315.24	0.60	-54.62
CC1CN2N=C(C(=O)N3CCCC3C3=NN=N[N-]3)C=C2CN1	REAL300020251760	1	39	-1.0	-55.24	315.30	0.63	-54.61
CC1CN2N=C(C(=O)N3CCCC3C3=N[N-]N=N3)C=C2C[NH2+]1	REAL300020251760	1	40	0.0	-88.75	318.15	1.88	-86.87
CC1CN2N=C(C(=O)N3CCCC3C3=NN=N[N-]3)C=C2C[NH2+]1	REAL300020251760	1	40	0.0	-88.73	318.21	1.90	-86.83
O=C(C1=CN=C(C2CCC[NH2+]2)N=C1)N1CCCC1C1=NN=N[N-]1	REAL300020251761	0	41	0.0	-70.47	324.80	1.73	-68.74
CC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)N=C(CC[NH3+])S1	REAL300020251762	0	38	0.0	-92.56	318.57	1.07	-91.49
CC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)N=C(CC[NH3+])S1	REAL300020251762	1	38	0.0	-92.58	318.63	1.10	-91.48
CC[NH2+]CC1CCC(C(=O)N2CCCC2C2=N[N-]N=N2)CC1	REAL300020251763	0	48	0.0	-82.12	361.58	4.85	-77.27
CC[NH2+]CC1CCC(C(=O)N2CCCC2C2=NN=N[N-]2)CC1	REAL300020251763	1	48	0.0	-82.10	361.64	4.87	-77.23
O=C(C1CC[NH2+]C(C2CCCO2)C1)N1CCCC1C1=N[N-]N=N1	REAL300020251764	0	47	0.0	-52.41	340.62	2.60	-49.81
O=C(C1CC[NH2+]C(C2CCCO2)C1)N1CCCC1C1=NN=N[N-]1	REAL300020251764	1	47	0.0	-52.43	340.68	2.62	-49.81
O=C(CC1CCNC2=CC=CC=C21)N1CCCC1C1=N[N-]N=N1	REAL300020251765	0	42	-1.0	-51.44	328.46	4.38	-47.06
O=C(CC1CCNC2=CC=CC=C21)N1CCCC1C1=NN=N[N-]1	REAL300020251765	1	42	-1.0	-51.41	328.52	4.40	-47.01
O=C(C1=CC=C2C[NH2+]CCOC2=C1)N1CCCC1C1=N[N-]N=N1	REAL300020251766	0	41	0.0	-54.38	313.01	1.93	-52.45
O=C(C1=CC=C2C[NH2+]CCOC2=C1)N1CCCC1C1=NN=N[N-]1	REAL300020251766	1	41	0.0	-54.03	313.31	1.91	-52.12
O=C(N1CCCC1C1=N[N-]N=N1)C(F)(F)C1CC[NH2+]CC1	REAL300020251767	0	39	0.0	-65.26	303.76	2.50	-62.76
O=C(N1CCCC1C1=NN=N[N-]1)C(F)(F)C1CC[NH2+]CC1	REAL300020251767	1	39	0.0	-65.27	303.82	2.52	-62.75
[NH3+][C@@H](CC(=O)N1CCCC1C1=N[N-]N=N1)CC1=CC(F)=C(F)C=C1F	REAL300020251768	0	42	0.0	-65.13	347.44	4.02	-61.11
[NH3+][C@@H](CC(=O)N1CCCC1C1=NN=N[N-]1)CC1=CC(F)=C(F)C=C1F	REAL300020251768	1	42	0.0	-65.19	347.49	4.05	-61.14
[NH3+]CCC1(CC(=O)N2CCCC2C2=N[N-]N=N2)COCCO1	REAL300020251769	0	44	0.0	-93.61	332.36	0.39	-93.22
[NH3+]CCC1(CC(=O)N2CCCC2C2=NN=N[N-]2)COCCO1	REAL300020251769	1	44	0.0	-93.66	332.42	0.42	-93.24
[NH3+][C@@H](CCC1=CC=CC=C1)CC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020251770	0	45	0.0	-64.99	355.67	4.48	-60.51
[NH3+][C@@H](CCC1=CC=CC=C1)CC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020251770	1	45	0.0	-65.01	355.73	4.50	-60.51
[NH3+][C@H](CCC1=CC=CC=C1)CC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020251771	0	45	0.0	-56.07	355.67	4.48	-51.59
[NH3+][C@H](CCC1=CC=CC=C1)CC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020251771	1	45	0.0	-56.10	355.72	4.50	-51.60
[NH3+]CC(CC(=O)N1CCCC1C1=N[N-]N=N1)C1=CC=C(Br)S1	REAL300020251772	0	39	0.0	-56.90	347.14	3.18	-53.72
[NH3+]CC(CC(=O)N1CCCC1C1=NN=N[N-]1)C1=CC=C(Br)S1	REAL300020251772	1	39	0.0	-56.91	347.20	3.21	-53.70
[NH3+]C1CCS(=O)(=O)C2(CC(C(=O)N3CCCC3C3=N[N-]N=N3)C2)C1	REAL300020251773	0	46	0.0	-94.04	361.92	-0.59	-94.63
[NH3+]C1CCS(=O)(=O)C2(CC(C(=O)N3CCCC3C3=NN=N[N-]3)C2)C1	REAL300020251773	1	46	0.0	-94.07	361.98	-0.56	-94.63
[NH3+]C1CCC2(CC(C(=O)N3CCCC3C3=N[N-]N=N3)C2)CC1	REAL300020251774	0	46	0.0	-90.74	343.77	3.04	-87.70
[NH3+]C1CCC2(CC(C(=O)N3CCCC3C3=NN=N[N-]3)C2)CC1	REAL300020251774	1	46	0.0	-90.78	343.83	3.06	-87.72
[NH3+]C(CCSC(F)(F)F)C(=O)N1CCCC1C1=N[N-]N=N1	REAL300020251775	0	36	0.0	-71.46	318.61	1.49	-69.97
[NH3+]C(CCSC(F)(F)F)C(=O)N1CCCC1C1=NN=N[N-]1	REAL300020251775	1	36	0.0	-71.46	318.67	1.51	-69.95
[NH3+]CC1(C2=CC=C(C(=O)N3CCCC3C3=NN=N[N-]3)C=N2)CCC1	REAL300020251776	0	45	0.0	-70.39	339.10	1.69	-68.70
[NH3+]CC1(C2=CC=C(C(=O)N3CCCC3C3=N[N-]N=N3)C=N2)CCC1	REAL300020251776	1	45	0.0	-70.37	339.05	1.70	-68.67
NC(=N[N+](=O)[O-])NCCC[C@H]([NH3+])C(=O)N1CCCC1C1=N[N-]N=N1	REAL300020251777	0	44	0.0	-84.81	356.28	0.96	-83.85
NC(=N[N+](=O)[O-])NCCC[C@H]([NH3+])C(=O)N1CCCC1C1=NN=N[N-]1	REAL300020251777	1	44	0.0	-84.81	356.34	0.98	-83.83
CN1C(C(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1C1CCCC[NH2+]1	REAL300020251778	0	47	0.0	-74.25	348.60	4.98	-69.27
CN1C(C(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1C1CCCC[NH2+]1	REAL300020251778	1	47	0.0	-74.25	348.65	5.00	-69.25
CC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)SC(N2CC[NH2+]CC2)=N1	REAL300020251779	0	44	0.0	-87.11	350.77	1.50	-85.61
CC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)SC(N2CC[NH2+]CC2)=N1	REAL300020251779	1	44	0.0	-87.02	350.83	1.52	-85.50
O=C(C1CCN(C(=O)[C@@H]2CCC[NH2+]2)CC1)N1CCCC1C1=NN=N[N-]1	REAL300020251780	0	50	0.0	-73.83	372.39	2.98	-70.85
[NH3+]C(CC1CCS(=O)(=O)C1)C(=O)N1CCCC1C1=N[N-]N=N1	REAL300020251781	0	42	0.0	-79.31	337.56	-1.73	-81.04
[NH3+]C(CC1CCS(=O)(=O)C1)C(=O)N1CCCC1C1=NN=N[N-]1	REAL300020251781	1	42	0.0	-79.32	337.62	-1.70	-81.02
O=C(C1=CC2=C(C[NH2+]CC2)S1)N1CCCC1C1=N[N-]N=N1	REAL300020251782	0	37	0.0	-88.08	303.38	2.72	-85.36
O=C(C1=CC2=C(C[NH2+]CC2)S1)N1CCCC1C1=NN=N[N-]1	REAL300020251782	1	37	0.0	-88.02	303.44	2.75	-85.27
O=C(C1=CC=CC2=C1C[NH2+]CCO2)N1CCCC1C1=N[N-]N=N1	REAL300020251783	0	41	0.0	-53.10	317.58	2.59	-50.51
O=C(C1=CC=CC2=C1C[NH2+]CCO2)N1CCCC1C1=NN=N[N-]1	REAL300020251783	1	41	0.0	-53.12	317.63	2.61	-50.51
O=C(CC1=CSC(C2CC[NH2+]CC2)=N1)N1CCCC1C1=N[N-]N=N1	REAL300020251784	0	45	0.0	-82.33	366.63	3.16	-79.17
O=C(CC1=CSC(C2CC[NH2+]CC2)=N1)N1CCCC1C1=NN=N[N-]1	REAL300020251784	1	45	0.0	-82.30	366.69	3.19	-79.11
[NH3+]C(CC1=CC=CC=C1Cl)C(=O)N1CCCC1C1=N[N-]N=N1	REAL300020251785	0	39	0.0	-54.92	321.17	2.80	-52.12
[NH3+]C(CC1=CC=CC=C1Cl)C(=O)N1CCCC1C1=NN=N[N-]1	REAL300020251785	1	39	0.0	-54.94	321.22	2.82	-52.12
[NH3+]C(CC(=O)N1CCCC1C1=N[N-]N=N1)C1CCCCCC1	REAL300020251786	0	48	0.0	-61.31	343.74	3.51	-57.80
[NH3+]C(CC(=O)N1CCCC1C1=NN=N[N-]1)C1CCCCCC1	REAL300020251786	1	48	0.0	-61.34	343.80	3.54	-57.80
[NH3+]C1CCN2N=CC(C(=O)N3CCCC3C3=N[N-]N=N3)=C2C1	REAL300020251787	0	40	0.0	-82.62	314.25	0.26	-82.36
[NH3+]C1CCN2N=CC(C(=O)N3CCCC3C3=NN=N[N-]3)=C2C1	REAL300020251787	1	40	0.0	-82.60	314.31	0.27	-82.33
O=C(C1=COC([C@@H]2CCC[NH2+]2)=N1)N1CCCC1C1=NN=N[N-]1	REAL300020251788	0	39	0.0	-75.84	316.15	0.29	-75.55
O=C(C1=COC([C@@H]2CCCN2)=N1)N1CCCC1C1=N[N-]N=N1	REAL300020251788	1	38	-1.0	-51.69	313.93	-1.00	-52.69
O=C(C1=COC([C@@H]2CCCN2)=N1)N1CCCC1C1=NN=N[N-]1	REAL300020251788	1	38	-1.0	-51.68	313.99	-0.98	-52.66
NC1=CC=C2SC(C(=O)N3CCCC3C3=N[N-]N=N3)=CC2=C1	REAL300020251789	0	35	-1.0	-54.79	303.63	2.76	-52.03
NC1=CC=C2SC(C(=O)N3CCCC3C3=NN=N[N-]3)=CC2=C1	REAL300020251789	1	35	-1.0	-54.80	303.69	2.78	-52.02
O=C(C1=CC(Br)=C2OCC[NH2+]CC2=C1)N1CCCC1C1=N[N-]N=N1	REAL300020251790	0	41	0.0	-59.29	333.53	2.65	-56.64
O=C(C1=CC(Br)=C2OCC[NH2+]CC2=C1)N1CCCC1C1=NN=N[N-]1	REAL300020251790	1	41	0.0	-59.29	333.58	2.64	-56.65
O=C(C1=NN2CC3(CC[NH2+]CC3)OCC2=C1)N1CCCC1C1=N[N-]N=N1	REAL300020251791	0	48	0.0	-92.45	363.19	1.87	-90.58
O=C(C1=NN2CC3(CC[NH2+]CC3)OCC2=C1)N1CCCC1C1=NN=N[N-]1	REAL300020251791	1	48	0.0	-92.47	363.24	1.90	-90.57
O=C(C1=C2CNCCN2C(Br)=N1)N1CCCC1C1=NN=N[N-]1	REAL300020251792	0	36	-1.0	-52.55	312.93	1.36	-51.19
O=C(C1=C2CNCCN2C(Br)=N1)N1CCCC1C1=N[N-]N=N1	REAL300020251792	1	36	-1.0	-52.57	312.87	1.34	-51.23
O=C(C1=C2C[NH2+]CCN2C(Br)=N1)N1CCCC1C1=NN=N[N-]1	REAL300020251792	1	37	0.0	-74.39	315.94	2.70	-71.69
O=C(C1=C2C[NH2+]CCN2C(Br)=N1)N1CCCC1C1=N[N-]N=N1	REAL300020251792	1	37	0.0	-74.38	315.88	2.67	-71.71
[NH3+][C@H](CC(=O)N1CCCC1C1=N[N-]N=N1)CC1CCCCC1	REAL300020251793	0	48	0.0	-63.27	354.73	3.86	-59.41
[NH3+][C@H](CC(=O)N1CCCC1C1=NN=N[N-]1)CC1CCCCC1	REAL300020251793	1	48	0.0	-63.28	354.79	3.89	-59.39
O=C(C1=CC=C(C2CCC[NH2+]2)S1)N1CCCC1C1=N[N-]N=N1	REAL300020251794	0	40	0.0	-80.55	325.10	3.55	-77.00
O=C(C1=CC=C(C2CCC[NH2+]2)S1)N1CCCC1C1=NN=N[N-]1	REAL300020251794	1	40	0.0	-80.53	325.17	3.57	-76.96
CC1=CC=CN=C1CC([NH3+])C(=O)N1CCCC1C1=N[N-]N=N1	REAL300020251795	0	41	0.0	-53.89	321.15	1.34	-52.55
CC1=CC=CN=C1CC([NH3+])C(=O)N1CCCC1C1=NN=N[N-]1	REAL300020251795	1	41	0.0	-53.93	321.20	1.36	-52.57
[NH3+]C(CCC1=CC=NC=C1)C(=O)N1CCCC1C1=N[N-]N=N1	REAL300020251796	0	41	0.0	-69.69	329.72	1.65	-68.04
[NH3+]C(CCC1=CC=NC=C1)C(=O)N1CCCC1C1=NN=N[N-]1	REAL300020251796	1	41	0.0	-69.68	329.78	1.68	-68.00
[NH3+][C@@H]1COC[C@@H]1N1C=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=N1	REAL300020251797	0	41	0.0	-80.01	324.41	-0.84	-80.85
[NH3+][C@@H]1COC[C@@H]1N1C=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=N1	REAL300020251797	1	41	0.0	-80.00	324.35	-0.85	-80.85
O=C(C1=CSC(C2CCC[NH2+]C2)=N1)N1CCCC1C1=N[N-]N=N1	REAL300020251798	0	42	0.0	-88.47	341.45	2.94	-85.53
O=C(C1=CSC(C2CCC[NH2+]C2)=N1)N1CCCC1C1=NN=N[N-]1	REAL300020251798	1	42	0.0	-88.45	341.51	2.97	-85.48
O=C(C1=CN(CCC2CCCC[NH2+]2)N=N1)N1CCCC1C1=NN=N[N-]1	REAL300020251799	0	48	0.0	-79.96	374.95	3.19	-76.77
O=C(C1=CN(CCC2CCCC[NH2+]2)N=N1)N1CCCC1C1=N[N-]N=N1	REAL300020251799	1	48	0.0	-79.97	374.89	3.17	-76.80
O=C([C@H]1C[NH2+]C[C@@H](C2=CC=CC=C2)C1)N1CCCC1C1=N[N-]N=N1	REAL300020251800	0	46	0.0	-80.62	351.46	4.90	-75.72
O=C([C@H]1C[NH2+]C[C@@H](C2=CC=CC=C2)C1)N1CCCC1C1=NN=N[N-]1	REAL300020251800	1	46	0.0	-80.61	351.51	4.92	-75.69
O=C(C1=CC(Br)=CC2=C1OCC[NH2+]C2)N1CCCC1C1=N[N-]N=N1	REAL300020251801	0	41	0.0	-80.73	340.82	4.04	-76.69
O=C(C1=CC(Br)=CC2=C1OCC[NH2+]C2)N1CCCC1C1=NN=N[N-]1	REAL300020251801	1	41	0.0	-80.69	340.87	4.05	-76.64
C[NH2+]C(CC1=CC=CC=C1)C(=O)N1CCCC1C1=N[N-]N=N1	REAL300020251802	0	42	0.0	-56.39	331.26	4.43	-51.96
C[NH2+]C(CC1=CC=CC=C1)C(=O)N1CCCC1C1=NN=N[N-]1	REAL300020251802	1	42	0.0	-56.41	331.32	4.46	-51.95
C[NH2+]C(CC1=CNC2=CC=CC=C12)C(=O)N1CCCC1C1=N[N-]N=N1	REAL300020251803	0	46	0.0	-67.79	357.12	4.59	-63.20
C[NH2+]C(CC1=CNC2=CC=CC=C12)C(=O)N1CCCC1C1=NN=N[N-]1	REAL300020251803	1	46	0.0	-67.78	357.18	4.62	-63.16
CC[NH2+]C(CC1=CC=CC=C1)C(=O)N1CCCC1C1=N[N-]N=N1	REAL300020251804	0	45	0.0	-70.30	341.93	5.16	-65.14
CC[NH2+]C(CC1=CC=CC=C1)C(=O)N1CCCC1C1=NN=N[N-]1	REAL300020251804	1	45	0.0	-70.33	341.96	5.19	-65.14
[NH3+][C@@H](CC(=O)N1CCCC1C1=N[N-]N=N1)CC1=CC=C(Br)C=C1	REAL300020251805	0	42	0.0	-58.92	354.95	4.31	-54.61
[NH3+][C@@H](CC(=O)N1CCCC1C1=NN=N[N-]1)CC1=CC=C(Br)C=C1	REAL300020251805	1	42	0.0	-58.91	355.01	4.33	-54.58
[NH3+]C(CCC1=CC=CC=N1)C(=O)N1CCCC1C1=N[N-]N=N1	REAL300020251806	0	41	0.0	-64.37	328.94	1.65	-62.72
[NH3+]C(CCC1=CC=CC=N1)C(=O)N1CCCC1C1=NN=N[N-]1	REAL300020251806	1	41	0.0	-64.37	329.00	1.68	-62.69
[NH3+][C@H](CCC1=CC=CC=C1)C(=O)N1CCCC1C1=N[N-]N=N1	REAL300020251807	0	42	0.0	-64.73	334.73	3.42	-61.31
[NH3+][C@H](CCC1=CC=CC=C1)C(=O)N1CCCC1C1=NN=N[N-]1	REAL300020251807	1	42	0.0	-64.74	334.78	3.44	-61.30
[NH3+][C@@H](CCC1=CC=CC=C1)C(=O)N1CCCC1C1=N[N-]N=N1	REAL300020251808	0	42	0.0	-64.69	334.81	3.43	-61.26
[NH3+][C@@H](CCC1=CC=CC=C1)C(=O)N1CCCC1C1=NN=N[N-]1	REAL300020251808	1	42	0.0	-64.69	334.87	3.45	-61.24
CC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)NC(C2CC[NH2+]CC2)=N1	REAL300020251809	0	46	0.0	-89.23	352.48	2.87	-86.36
CC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)NC(C2CC[NH2+]CC2)=N1	REAL300020251809	1	46	0.0	-89.25	352.54	2.88	-86.37
O=C(C1=NOC(CC2CCCC[NH2+]2)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020251810	0	45	0.0	-71.79	352.86	4.09	-67.70
O=C(C1=NOC(CC2CCCC[NH2+]2)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020251810	1	45	0.0	-71.74	352.92	4.12	-67.62
[NH3+]C(CC(=O)N1CCCC1C1=N[N-]N=N1)C1=CC=CC(F)=C1	REAL300020251811	0	39	0.0	-54.86	318.85	3.01	-51.85
[NH3+]C(CC(=O)N1CCCC1C1=NN=N[N-]1)C1=CC=CC(F)=C1	REAL300020251811	1	39	0.0	-54.85	318.91	3.03	-51.82
O=C([C@@H]1CC[C@@H](C2CCC2)[NH2+]C1)N1CCCC1C1=N[N-]N=N1	REAL300020251812	0	46	0.0	-68.58	342.19	4.17	-64.41
O=C([C@@H]1CC[C@@H](C2CCC2)[NH2+]C1)N1CCCC1C1=NN=N[N-]1	REAL300020251812	1	46	0.0	-68.54	342.24	4.19	-64.35
[NH3+]C[C@@H]1COC[C@H]1N1C=C(C(=O)N2CCCC2C2=NN=N[N-]2)N=N1	REAL300020251813	0	43	0.0	-90.97	346.64	-1.41	-92.38
[NH3+]C[C@@H]1COC[C@H]1N1C=C(C(=O)N2CCCC2C2=N[N-]N=N2)N=N1	REAL300020251813	1	43	0.0	-90.94	346.58	-1.43	-92.37
CCN1N=CC(N)=C1C=CC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020251814	0	39	-1.0	-53.18	327.32	1.62	-51.56
CCN1N=CC(N)=C1C=CC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020251814	1	39	-1.0	-53.22	327.38	1.63	-51.59
[NH3+]C(CC1=CC=CC(F)=C1)C(=O)N1CCCC1C1=N[N-]N=N1	REAL300020251815	0	39	0.0	-63.32	319.92	2.71	-60.61
[NH3+]C(CC1=CC=CC(F)=C1)C(=O)N1CCCC1C1=NN=N[N-]1	REAL300020251815	1	39	0.0	-63.32	319.98	2.74	-60.58
[NH3+]C1CCC(C(=O)N2CCCC2C2=N[N-]N=N2)C2=CC=CC=C21	REAL300020251816	0	43	0.0	-66.74	330.65	3.40	-63.34
[NH3+]C1CCC(C(=O)N2CCCC2C2=NN=N[N-]2)C2=CC=CC=C21	REAL300020251816	1	43	0.0	-66.78	330.70	3.41	-63.37
O=C(C1CCC(C2CCC2)[NH2+]C1)N1CCCC1C1=N[N-]N=N1	REAL300020251817	0	46	0.0	-68.56	342.17	4.17	-64.39
O=C(C1CCC(C2CCC2)[NH2+]C1)N1CCCC1C1=NN=N[N-]1	REAL300020251817	1	46	0.0	-68.58	342.23	4.19	-64.39
O=C(N1CCCC1C1=N[N-]N=N1)C(F)(F)C1CCC[NH2+]C1	REAL300020251818	0	39	0.0	-72.18	302.31	2.48	-69.70
O=C(N1CCCC1C1=NN=N[N-]1)C(F)(F)C1CCC[NH2+]C1	REAL300020251818	1	39	0.0	-72.20	302.37	2.51	-69.69
COC1=CC=C([C@H](C)[NH3+])C=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL300020251819	0	43	0.0	-63.88	325.91	2.38	-61.50
COC1=CC=C([C@H](C)[NH3+])C=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL300020251819	1	43	0.0	-63.81	325.92	2.37	-61.44
O=C(C1=CN(CC2C[NH2+]CCO2)N=N1)N1CCCC1C1=NN=N[N-]1	REAL300020251820	0	43	0.0	-84.90	346.22	0.16	-84.74
O=C(C1=CN(CC2C[NH2+]CCO2)N=N1)N1CCCC1C1=N[N-]N=N1	REAL300020251820	1	43	0.0	-84.88	346.16	0.14	-84.74
[NH3+]CC1=C(Cl)SC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020251821	0	33	0.0	-76.81	296.49	1.10	-75.71
[NH3+]CC1=C(Cl)SC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020251821	1	33	0.0	-76.82	296.55	1.13	-75.69
O=C(C1CCC2(CC[NH2+]C2)CC1)N1CCCC1C1=N[N-]N=N1	REAL300020251822	0	46	0.0	-81.09	332.89	3.54	-77.55
O=C(C1CCC2(CC[NH2+]C2)CC1)N1CCCC1C1=NN=N[N-]1	REAL300020251822	1	46	0.0	-81.07	332.94	3.56	-77.51
[NH3+][C@H](COCC1=CC=CC=C1)CC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020251823	0	46	0.0	-55.27	370.48	3.04	-52.23
[NH3+][C@H](COCC1=CC=CC=C1)CC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020251823	1	46	0.0	-55.28	370.53	3.06	-52.22
[NH3+][C@@H](COCC1=CC=CC=C1)CC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020251824	0	46	0.0	-55.23	370.49	3.04	-52.19
[NH3+][C@@H](COCC1=CC=CC=C1)CC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020251824	1	46	0.0	-55.22	370.54	3.06	-52.16
O=C(C1=NOC(CC2CC[NH2+]CC2)=C1)N1CCCC1C1=N[N-]N=N1	REAL300020251825	0	45	0.0	-76.01	352.81	3.83	-72.18
O=C(C1=NOC(CC2CC[NH2+]CC2)=C1)N1CCCC1C1=NN=N[N-]1	REAL300020251825	1	45	0.0	-76.01	352.87	3.86	-72.15
O=C(C1C[NH2+]CC2=C1C=CC=C2C(F)(F)F)N1CCCC1C1=N[N-]N=N1	REAL300020251826	0	43	0.0	-82.68	347.23	4.39	-78.29
O=C(C1C[NH2+]CC2=C1C=CC=C2C(F)(F)F)N1CCCC1C1=NN=N[N-]1	REAL300020251826	1	43	0.0	-82.71	347.29	4.40	-78.31
O=C(C1=NN(C2CC[NH2+]CC2)C=C1)N1CCCC1C1=NN=N[N-]1	REAL300020251827	0	43	0.0	-94.27	337.03	2.82	-91.45
O=C(C1=NN(C2CC[NH2+]CC2)C=C1)N1CCCC1C1=N[N-]N=N1	REAL300020251827	1	43	0.0	-94.27	336.97	2.79	-91.48
[NH3+][C@H](COCC1=CC=CC=C1)C(=O)N1CCCC1C1=NN=N[N-]1	REAL300020251828	0	43	0.0	-57.42	349.59	2.00	-55.42
N[C@H](COCC1=CC=CC=C1)C(=O)N1CCCC1C1=N[N-]N=N1	REAL300020251828	1	42	-1.0	-49.20	347.71	1.61	-47.59
N[C@H](COCC1=CC=CC=C1)C(=O)N1CCCC1C1=NN=N[N-]1	REAL300020251828	1	42	-1.0	-49.21	347.77	1.63	-47.58
[NH3+][C@@H](COCC1=CC=CC=C1)C(=O)N1CCCC1C1=NN=N[N-]1	REAL300020251829	0	43	0.0	-57.41	349.67	2.01	-55.40
N[C@@H](COCC1=CC=CC=C1)C(=O)N1CCCC1C1=N[N-]N=N1	REAL300020251829	1	42	-1.0	-49.74	347.00	1.59	-48.15
N[C@@H](COCC1=CC=CC=C1)C(=O)N1CCCC1C1=NN=N[N-]1	REAL300020251829	1	42	-1.0	-49.76	347.06	1.62	-48.14
O=C(C1=CC2=C(CCC[NH2+]C2)O1)N1CCCC1C1=N[N-]N=N1	REAL300020251830	0	40	0.0	-81.51	314.59	2.94	-78.57
O=C(C1=CC2=C(CCC[NH2+]C2)O1)N1CCCC1C1=NN=N[N-]1	REAL300020251830	1	40	0.0	-81.46	314.64	2.97	-78.49
[NH3+]C(CC1=CC=C(OC(F)F)C=C1)C(=O)N1CCCC1C1=N[N-]N=N1	REAL300020251831	0	43	0.0	-64.22	352.73	2.25	-61.97
[NH3+]C(CC1=CC=C(OC(F)F)C=C1)C(=O)N1CCCC1C1=NN=N[N-]1	REAL300020251831	1	43	0.0	-64.27	352.79	2.27	-62.00
[NH3+]CCCCCCCCCC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020251832	0	50	0.0	-83.22	389.24	4.51	-78.71
[NH3+]CCCCCCCCCC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020251832	1	50	0.0	-83.21	389.30	4.53	-78.68
O=C(C1=CC=C2NCCOC2=C1)N1CCCC1C1=N[N-]N=N1	REAL300020251833	0	37	-1.0	-44.82	292.82	1.10	-43.72
O=C(C1=CC=C2NCCOC2=C1)N1CCCC1C1=NN=N[N-]1	REAL300020251833	1	37	-1.0	-44.85	292.89	1.10	-43.75
O=C(CC1CCC2=CC=CC=C2N1)N1CCCC1C1=N[N-]N=N1	REAL300020251834	0	42	-1.0	-55.29	334.65	4.84	-50.45
O=C(CC1CCC2=CC=CC=C2N1)N1CCCC1C1=NN=N[N-]1	REAL300020251834	1	42	-1.0	-55.27	334.71	4.86	-50.41
[NH3+]CC1=CC=C(C2=CC=C(C(=O)N3CCCC3C3=N[N-]N=N3)C=C2)C=C1	REAL300020251835	0	46	0.0	-77.94	359.90	4.51	-73.43
[NH3+]CC1=CC=C(C2=CC=C(C(=O)N3CCCC3C3=NN=N[N-]3)C=C2)C=C1	REAL300020251835	1	46	0.0	-77.98	359.96	4.52	-73.46
O=C(CC1CC2(C[NH2+]1)CCOCC2)N1CCCC1C1=N[N-]N=N1	REAL300020251836	0	47	0.0	-62.40	349.17	2.42	-59.98
O=C(CC1CC2(C[NH2+]1)CCOCC2)N1CCCC1C1=NN=N[N-]1	REAL300020251836	1	47	0.0	-62.41	349.23	2.44	-59.97
[NH3+]CC1=CC=CC(C2=CC=C(C(=O)N3CCCC3C3=N[N-]N=N3)C=C2)=C1	REAL300020251837	0	46	0.0	-72.13	359.91	4.50	-67.63
[NH3+]CC1=CC=CC(C2=CC=C(C(=O)N3CCCC3C3=NN=N[N-]3)C=C2)=C1	REAL300020251837	1	46	0.0	-72.11	359.97	4.51	-67.60
[NH3+]CC1=CC=CC([C@@H]2C[C@H]2C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020251838	0	43	0.0	-82.95	347.12	4.01	-78.94
[NH3+]CC1=CC=CC([C@@H]2C[C@H]2C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020251838	1	43	0.0	-82.92	347.18	4.02	-78.90
[NH3+]CC1=CC=C([C@@H]2C[C@H]2C(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020251839	0	43	0.0	-90.52	347.06	4.02	-86.50
[NH3+]CC1=CC=C([C@@H]2C[C@H]2C(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020251839	1	43	0.0	-90.50	347.12	4.04	-86.46
[NH3+]CC1=CC=CC=C1C1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020251840	0	46	0.0	-38.85	358.19	4.53	-34.32
[NH3+]CC1=CC=CC=C1C1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020251840	1	46	0.0	-38.87	358.26	4.52	-34.35
[NH3+][C@@H](CCSC(F)(F)F)C(=O)N1CCCC1C1=N[N-]N=N1	REAL300020251841	0	36	0.0	-65.56	317.87	1.46	-64.10
[NH3+][C@@H](CCSC(F)(F)F)C(=O)N1CCCC1C1=NN=N[N-]1	REAL300020251841	1	36	0.0	-65.59	317.93	1.49	-64.10
[NH3+]CC1=CC=CC=C1CCC(=O)N1CCCC1C1=N[N-]N=N1	REAL300020251842	0	42	0.0	-63.60	332.12	3.35	-60.25
[NH3+]CC1=CC=CC=C1CCC(=O)N1CCCC1C1=NN=N[N-]1	REAL300020251842	1	42	0.0	-63.56	332.18	3.38	-60.18
O=C(C1CNCCS(=O)(=O)C1)N1CCCC1C1=N[N-]N=N1	REAL300020251843	0	38	-1.0	-55.32	301.62	-2.59	-57.91
O=C(C1CNCCS(=O)(=O)C1)N1CCCC1C1=NN=N[N-]1	REAL300020251843	1	38	-1.0	-55.32	301.68	-2.56	-57.88
[NH3+]CC1=CC=C(C2=CC=CC(C(=O)N3CCCC3C3=N[N-]N=N3)=C2)C=C1	REAL300020251844	0	46	0.0	-91.67	365.70	4.99	-86.68
[NH3+]CC1=CC=C(C2=CC=CC(C(=O)N3CCCC3C3=NN=N[N-]3)=C2)C=C1	REAL300020251844	1	46	0.0	-91.69	365.76	5.01	-86.68
O=C(CN1C=NC2=C1CC[NH2+]C21CCOCC1)N1CCCC1C1=N[N-]N=N1	REAL300020251845	0	51	0.0	-63.40	385.79	4.33	-59.07
O=C(CN1C=NC2=C1CC[NH2+]C21CCOCC1)N1CCCC1C1=NN=N[N-]1	REAL300020251845	1	51	0.0	-63.42	385.85	4.36	-59.06
[NH3+]C(CC1=CC=CC(Br)=C1)C(=O)N1CCCC1C1=N[N-]N=N1	REAL300020251846	0	39	0.0	-62.56	334.80	3.26	-59.30
[NH3+]C(CC1=CC=CC(Br)=C1)C(=O)N1CCCC1C1=NN=N[N-]1	REAL300020251846	1	39	0.0	-62.58	334.86	3.28	-59.30
O=C(C[C@@H]1CC2=CC=CC=C2C[NH2+]1)N1CCCC1C1=N[N-]N=N1	REAL300020251847	0	43	0.0	-58.55	335.87	4.95	-53.60
O=C(C[C@@H]1CC2=CC=CC=C2C[NH2+]1)N1CCCC1C1=NN=N[N-]1	REAL300020251847	1	43	0.0	-58.58	335.92	4.98	-53.60
[NH3+]CC1=CC2=CC=C(C(=O)N3CCCC3C3=N[N-]N=N3)C=C2C=C1	REAL300020251848	0	42	0.0	-96.82	338.59	3.83	-92.99
[NH3+]CC1=CC2=CC=C(C(=O)N3CCCC3C3=NN=N[N-]3)C=C2C=C1	REAL300020251848	1	42	0.0	-96.79	338.65	3.85	-92.94
NC1(CC(=O)N2CCCC2C2=N[N-]N=N2)CS(=O)(=O)C1	REAL300020251849	0	35	-1.0	-56.67	295.57	-3.33	-60.00
NC1(CC(=O)N2CCCC2C2=NN=N[N-]2)CS(=O)(=O)C1	REAL300020251849	1	35	-1.0	-56.66	295.63	-3.30	-59.96
[NH3+]C1(CC(=O)N2CCCC2C2=N[N-]N=N2)CS(=O)(=O)C1	REAL300020251849	1	36	0.0	-64.51	295.01	-3.18	-67.69
[NH3+]C1(CC(=O)N2CCCC2C2=NN=N[N-]2)CS(=O)(=O)C1	REAL300020251849	1	36	0.0	-64.52	295.07	-3.15	-67.67
O=C(CC1COC2(C1)CC[NH2+]CC2)N1CCCC1C1=N[N-]N=N1	REAL300020251850	0	47	0.0	-77.78	352.97	2.73	-75.05
O=C(CC1COC2(C1)CC[NH2+]CC2)N1CCCC1C1=NN=N[N-]1	REAL300020251850	1	47	0.0	-77.77	353.02	2.75	-75.02
O=C(CC1C[NH2+]C2CCCCC12)N1CCCC1C1=N[N-]N=N1	REAL300020251851	0	46	0.0	-57.35	339.33	3.86	-53.49
O=C(CC1C[NH2+]C2CCCCC12)N1CCCC1C1=NN=N[N-]1	REAL300020251851	1	46	0.0	-57.30	339.39	3.89	-53.41
O=C(C1=CN(C[C@@H]2CCC[NH2+]2)N=N1)N1CCCC1C1=NN=N[N-]1	REAL300020251852	0	42	0.0	-71.27	335.87	1.92	-69.35
O=C(C1=CN(C[C@@H]2CCC[NH2+]2)N=N1)N1CCCC1C1=N[N-]N=N1	REAL300020251852	1	42	0.0	-71.30	335.81	1.89	-69.41
COC1=CC=C(C[NH3+])C=C1C(=O)N1CCCC1C1=N[N-]N=N1	REAL300020251853	0	40	0.0	-62.72	310.04	1.76	-60.96
COC1=CC=C(C[NH3+])C=C1C(=O)N1CCCC1C1=NN=N[N-]1	REAL300020251853	1	40	0.0	-62.76	310.10	1.76	-61.00
[NH3+]C1CCCC2=CC(C(=O)N3CCCC3C3=N[N-]N=N3)=CC=C21	REAL300020251854	0	43	0.0	-58.21	323.06	2.88	-55.33
[NH3+]C1CCCC2=CC(C(=O)N3CCCC3C3=NN=N[N-]3)=CC=C21	REAL300020251854	1	43	0.0	-58.21	323.12	2.88	-55.33
CN1N=C(C(=O)N2CCCC2C2=N[N-]N=N2)C2=C1CC[NH2+]C2	REAL300020251855	0	40	0.0	-73.21	315.90	1.91	-71.30
CN1N=C(C(=O)N2CCCC2C2=NN=N[N-]2)C2=C1CC[NH2+]C2	REAL300020251855	1	40	0.0	-73.21	315.96	1.94	-71.27
[NH3+]CC1=CC=CC(OCC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020251856	0	40	0.0	-83.67	329.00	2.63	-81.04
[NH3+]CC1=CC=CC(OCC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020251856	1	40	0.0	-83.68	329.06	2.65	-81.03
[NH3+]CC1=CC=CC2=CC=C(C(=O)N3CCCC3C3=NN=N[N-]3)C=C21	REAL300020251857	0	42	0.0	-65.20	325.92	3.16	-62.04
[NH3+]CC1=CC=CC2=CC=C(C(=O)N3CCCC3C3=N[N-]N=N3)C=C21	REAL300020251857	1	42	0.0	-65.19	325.85	3.17	-62.02
[NH3+]C(CC1=CC=C(Cl)N=C1)C(=O)N1CCCC1C1=NN=N[N-]1	REAL300020251858	0	38	0.0	-64.93	324.63	1.23	-63.70
[NH3+]C(CC1=CC=C(Cl)N=C1)C(=O)N1CCCC1C1=N[N-]N=N1	REAL300020251858	1	38	0.0	-64.88	324.57	1.20	-63.68
[NH3+]CC1=CC=CC(C2=CC=CC(C(=O)N3CCCC3C3=N[N-]N=N3)=C2)=C1	REAL300020251859	0	46	0.0	-95.32	365.72	4.99	-90.33
[NH3+]CC1=CC=CC(C2=CC=CC(C(=O)N3CCCC3C3=NN=N[N-]3)=C2)=C1	REAL300020251859	1	46	0.0	-95.31	365.77	5.01	-90.30
O=C(C1=CC2=C(CCC[NH2+]C2)S1)N1CCCC1C1=N[N-]N=N1	REAL300020251860	0	40	0.0	-78.71	320.26	3.37	-75.34
O=C(C1=CC2=C(CCC[NH2+]C2)S1)N1CCCC1C1=NN=N[N-]1	REAL300020251860	1	40	0.0	-78.72	320.32	3.39	-75.33
[NH3+]C1CCC(C(=O)N2CCCC2C2=N[N-]N=N2)CCC1(F)F	REAL300020251861	0	42	0.0	-78.96	313.16	1.79	-77.17
[NH3+]C1CCC(C(=O)N2CCCC2C2=NN=N[N-]2)CCC1(F)F	REAL300020251861	1	42	0.0	-79.00	313.22	1.81	-77.19
NC1CCC(C(=O)N2CCCC2C2=N[N-]N=N2)CCC1(F)F	REAL300020251861	1	41	-1.0	-49.54	309.77	1.47	-48.07
NC1CCC(C(=O)N2CCCC2C2=NN=N[N-]2)CCC1(F)F	REAL300020251861	1	41	-1.0	-49.53	309.83	1.50	-48.03
CC(C)(C)[C@@H]1C[NH2+]C[C@H](C(=O)N2CCCC2C2=N[N-]N=N2)C1	REAL300020251862	0	48	0.0	-84.72	347.58	3.63	-81.09
CC(C)(C)[C@@H]1C[NH2+]C[C@H](C(=O)N2CCCC2C2=NN=N[N-]2)C1	REAL300020251862	1	48	0.0	-84.74	347.63	3.66	-81.08
[NH3+]CC(C(=O)N1CCCC1C1=N[N-]N=N1)C1=CC=CC=C1Cl	REAL300020251863	0	39	0.0	-66.07	324.93	2.76	-63.31
[NH3+]CC(C(=O)N1CCCC1C1=NN=N[N-]1)C1=CC=CC=C1Cl	REAL300020251863	1	39	0.0	-66.06	324.99	2.78	-63.28
[NH3+]C1CCCC2=CC=C(C(=O)N3CCCC3C3=N[N-]N=N3)C=C2C1	REAL300020251864	0	46	0.0	-82.55	347.02	3.74	-78.81
[NH3+]C1CCCC2=CC=C(C(=O)N3CCCC3C3=NN=N[N-]3)C=C2C1	REAL300020251864	1	46	0.0	-82.55	347.08	3.76	-78.79
COC1=CC=C(C([NH3+])CC(=O)N2CCCC2C2=N[N-]N=N2)C=C1Br	REAL300020251865	0	43	0.0	-61.96	362.38	2.90	-59.06
COC1=CC=C(C([NH3+])CC(=O)N2CCCC2C2=NN=N[N-]2)C=C1Br	REAL300020251865	1	43	0.0	-61.94	362.44	2.93	-59.01
[NH3+]C(CC(=O)N1CCCC1C1=N[N-]N=N1)C1=CC=C(F)C=C1F	REAL300020251866	0	39	0.0	-68.74	323.78	3.07	-65.67
[NH3+]C(CC(=O)N1CCCC1C1=NN=N[N-]1)C1=CC=C(F)C=C1F	REAL300020251866	1	39	0.0	-68.77	323.84	3.10	-65.67
[NH3+][C@@H](CC1=CC=C(Br)C=C1)C(=O)N1CCCC1C1=N[N-]N=N1	REAL300020251867	0	39	0.0	-61.64	334.02	3.26	-58.38
[NH3+][C@@H](CC1=CC=C(Br)C=C1)C(=O)N1CCCC1C1=NN=N[N-]1	REAL300020251867	1	39	0.0	-61.67	334.07	3.29	-58.38
CC1=CC=CC(C(C[NH3+])C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020251868	0	42	0.0	-52.78	335.06	3.10	-49.68
CC1=CC=CC(C(C[NH3+])C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020251868	1	42	0.0	-52.76	335.12	3.12	-49.64
[NH3+]C(CCOCC(F)(F)F)C(=O)N1CCCC1C1=N[N-]N=N1	REAL300020251869	0	39	0.0	-76.43	329.24	0.16	-76.27
[NH3+]C(CCOCC(F)(F)F)C(=O)N1CCCC1C1=NN=N[N-]1	REAL300020251869	1	39	0.0	-76.43	329.30	0.18	-76.25
O=C(C1=COC(C2CC[NH2+]CC2)=N1)N1CCCC1C1=N[N-]N=N1	REAL300020251870	0	42	0.0	-84.95	334.70	0.92	-84.03
O=C(C1=COC(C2CC[NH2+]CC2)=N1)N1CCCC1C1=NN=N[N-]1	REAL300020251870	1	42	0.0	-84.95	334.76	0.95	-84.00
C[C@@H]1C[NH2+]C[C@H]1N1C=C(C(=O)N2CCCC2C2=NN=N[N-]2)N=N1	REAL300020251871	0	42	0.0	-78.94	333.23	1.25	-77.69
C[C@@H]1C[NH2+]C[C@H]1N1C=C(C(=O)N2CCCC2C2=N[N-]N=N2)N=N1	REAL300020251871	1	42	0.0	-78.96	333.17	1.23	-77.73
[NH3+]C1CC2(C1)CCC(C(=O)N1CCCC1C1=N[N-]N=N1)CC2	REAL300020251872	0	46	0.0	-82.30	338.96	2.81	-79.49
[NH3+]C1CC2(C1)CCC(C(=O)N1CCCC1C1=NN=N[N-]1)CC2	REAL300020251872	1	46	0.0	-82.28	339.02	2.83	-79.45
O=C(CC1CCC2(CC[NH2+]CC2)CC1)N1CCCC1C1=N[N-]N=N1	REAL300020251873	0	52	0.0	-82.37	366.27	5.05	-77.32
O=C(CC1CCC2(CC[NH2+]CC2)CC1)N1CCCC1C1=NN=N[N-]1	REAL300020251873	1	52	0.0	-82.39	366.33	5.07	-77.32
O=C(C1C[NH2+]CC2=CC=NN2C1)N1CCCC1C1=N[N-]N=N1	REAL300020251874	0	40	0.0	-67.84	315.49	1.39	-66.45
O=C(C1C[NH2+]CC2=CC=NN2C1)N1CCCC1C1=NN=N[N-]1	REAL300020251874	1	40	0.0	-67.89	315.55	1.40	-66.49
O=C(C1=CSC(CC2CC[NH2+]C2)=N1)N1CCCC1C1=N[N-]N=N1	REAL300020251875	0	42	0.0	-85.45	345.66	3.04	-82.41
O=C(C1=CSC(CC2CC[NH2+]C2)=N1)N1CCCC1C1=NN=N[N-]1	REAL300020251875	1	42	0.0	-85.42	345.72	3.08	-82.34
O=C(CC1C[NH2+]C2(CCC2)CO1)N1CCCC1C1=N[N-]N=N1	REAL300020251876	0	44	0.0	-72.51	335.99	2.91	-69.60
O=C(CC1C[NH2+]C2(CCC2)CO1)N1CCCC1C1=NN=N[N-]1	REAL300020251876	1	44	0.0	-72.54	336.05	2.92	-69.62
CC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)SC(C(C)[NH3+])=N1	REAL300020251877	0	38	0.0	-81.64	315.44	0.07	-81.57
CC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)SC(C(C)[NH3+])=N1	REAL300020251877	1	38	0.0	-81.66	315.50	0.10	-81.56
CC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)SC(C(C)N)=N1	REAL300020251877	1	37	-1.0	-51.70	312.91	-0.16	-51.86
CC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)SC(C(C)N)=N1	REAL300020251877	1	37	-1.0	-51.73	312.97	-0.15	-51.88
CC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)SC(CC2CC[NH2+]CC2)=N1	REAL300020251878	0	48	0.0	-82.36	377.45	3.79	-78.57
CC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)SC(CC2CC[NH2+]CC2)=N1	REAL300020251878	1	48	0.0	-82.34	377.51	3.80	-78.54
O=C(C1=CSC(CC2CC[NH2+]CC2)=N1)N1CCCC1C1=N[N-]N=N1	REAL300020251879	0	45	0.0	-80.12	361.90	3.84	-76.28
O=C(C1=CSC(CC2CC[NH2+]CC2)=N1)N1CCCC1C1=NN=N[N-]1	REAL300020251879	1	45	0.0	-80.13	361.96	3.87	-76.26
O=C(C[C@@H]1C[NH2+][C@@H]2COC[C@H]2O1)N1CCCC1C1=N[N-]N=N1	REAL300020251880	0	42	0.0	-87.02	320.31	0.16	-86.86
O=C(C[C@@H]1C[NH2+][C@@H]2COC[C@H]2O1)N1CCCC1C1=NN=N[N-]1	REAL300020251880	1	42	0.0	-87.02	320.37	0.19	-86.83
O=C(C[C@@H]1CN[C@@H]2COC[C@H]2O1)N1CCCC1C1=N[N-]N=N1	REAL300020251880	1	41	-1.0	-54.32	317.17	-1.00	-55.32
O=C(C[C@@H]1CN[C@@H]2COC[C@H]2O1)N1CCCC1C1=NN=N[N-]1	REAL300020251880	1	41	-1.0	-54.30	317.23	-0.97	-55.27
O=C(CC1CCC2C[NH2+]CCC2C1)N1CCCC1C1=N[N-]N=N1	REAL300020251881	0	49	0.0	-78.55	359.17	4.84	-73.71
O=C(CC1CCC2C[NH2+]CCC2C1)N1CCCC1C1=NN=N[N-]1	REAL300020251881	1	49	0.0	-78.48	359.23	4.87	-73.61
CC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)SC(C2CCC[NH2+]C2)=N1	REAL300020251882	0	45	0.0	-84.00	358.33	2.94	-81.06
CC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)SC(C2CCC[NH2+]C2)=N1	REAL300020251882	1	45	0.0	-84.00	358.39	2.96	-81.04
O=C(C1=CC=C(F)C2=C1CC[NH2+]C2)N1CCCC1C1=N[N-]N=N1	REAL300020251883	0	40	0.0	-73.33	315.12	3.59	-69.74
O=C(C1=CC=C(F)C2=C1CC[NH2+]C2)N1CCCC1C1=NN=N[N-]1	REAL300020251883	1	40	0.0	-73.29	315.17	3.61	-69.68
O=C(C1=CC=C(F)C2=C1CCNC2)N1CCCC1C1=N[N-]N=N1	REAL300020251883	1	39	-1.0	-51.22	312.08	2.23	-48.99
O=C(C1=CC=C(F)C2=C1CCNC2)N1CCCC1C1=NN=N[N-]1	REAL300020251883	1	39	-1.0	-51.25	312.13	2.24	-49.01
[NH3+]C(CC1=CN=CC(Br)=C1)C(=O)N1CCCC1C1=NN=N[N-]1	REAL300020251884	0	38	0.0	-63.71	329.74	1.44	-62.27
[NH3+]C(CC1=CN=CC(Br)=C1)C(=O)N1CCCC1C1=N[N-]N=N1	REAL300020251884	1	38	0.0	-63.67	329.69	1.41	-62.26
CC1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=CC(C)=C1C[NH3+]	REAL300020251885	0	42	0.0	-68.50	326.05	2.28	-66.22
CC1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=CC(C)=C1C[NH3+]	REAL300020251885	1	42	0.0	-68.46	326.12	2.28	-66.18
C[NH2+]CC1=C(C)C=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C1C	REAL300020251886	0	45	0.0	-62.38	347.79	4.15	-58.23
C[NH2+]CC1=C(C)C=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C1C	REAL300020251886	1	45	0.0	-62.37	347.86	4.15	-58.22
[NH3+]CC(CC1=CC=CC=C1)C(=O)N1CCCC1C1=N[N-]N=N1	REAL300020251887	0	42	0.0	-88.82	325.27	3.10	-85.72
[NH3+]CC(CC1=CC=CC=C1)C(=O)N1CCCC1C1=NN=N[N-]1	REAL300020251887	1	42	0.0	-88.85	325.33	3.12	-85.73
O=C(C1COC2(C1)CC[NH2+]CC2)N1CCCC1C1=N[N-]N=N1	REAL300020251888	0	44	0.0	-74.06	326.00	1.72	-72.34
O=C(C1COC2(C1)CC[NH2+]CC2)N1CCCC1C1=NN=N[N-]1	REAL300020251888	1	44	0.0	-74.10	326.06	1.75	-72.35
O=C(CC1CC[NH2+]CCC1(F)F)N1CCCC1C1=N[N-]N=N1	REAL300020251889	0	42	0.0	-72.03	314.63	3.15	-68.88
O=C(CC1CC[NH2+]CCC1(F)F)N1CCCC1C1=NN=N[N-]1	REAL300020251889	1	42	0.0	-72.07	314.68	3.18	-68.89
C[NH2+]CC1=CC=CC(OCC(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020251890	0	43	0.0	-78.32	350.75	4.50	-73.82
C[NH2+]CC1=CC=CC(OCC(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020251890	1	43	0.0	-78.32	350.80	4.52	-73.80
CC1(C)C(C[NH3+])CC(C(=O)N2CCCC2C2=N[N-]N=N2)S1(=O)=O	REAL300020251891	0	45	0.0	-105.03	350.87	-0.03	-105.06
CC1(C)C(C[NH3+])CC(C(=O)N2CCCC2C2=NN=N[N-]2)S1(=O)=O	REAL300020251891	1	45	0.0	-105.02	350.93	-0.00	-105.02
[NH3+]C(CCC(=O)OCC1=CC=CC=C1)C(=O)N1CCCC1C1=N[N-]N=N1	REAL300020251892	0	48	0.0	-79.34	391.37	4.44	-74.90
[NH3+]C(CCC(=O)OCC1=CC=CC=C1)C(=O)N1CCCC1C1=NN=N[N-]1	REAL300020251892	1	48	0.0	-79.36	391.43	4.46	-74.90
[NH3+]CC(CC1=CC=C(F)C=C1)C(=O)N1CCCC1C1=N[N-]N=N1	REAL300020251893	0	42	0.0	-75.90	331.40	3.34	-72.56
[NH3+]CC(CC1=CC=C(F)C=C1)C(=O)N1CCCC1C1=NN=N[N-]1	REAL300020251893	1	42	0.0	-75.96	331.46	3.37	-72.59
CC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)SC(CC[NH3+])=N1	REAL300020251894	0	38	0.0	-91.54	316.38	0.13	-91.41
CC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)SC(CC[NH3+])=N1	REAL300020251894	1	38	0.0	-91.55	316.44	0.15	-91.40
O=C(CC1C[NH2+]C2(C1)CCOCC2)N1CCCC1C1=N[N-]N=N1	REAL300020251895	0	47	0.0	-64.64	347.74	2.53	-62.11
O=C(CC1C[NH2+]C2(C1)CCOCC2)N1CCCC1C1=NN=N[N-]1	REAL300020251895	1	47	0.0	-64.67	347.80	2.56	-62.11
[NH3+]C1CCN(C2=CC(C(=O)N3CCCC3C3=NN=N[N-]3)=CC=N2)CC1	REAL300020251896	0	47	0.0	-71.87	353.94	1.02	-70.85
[NH3+]C1CCN(C2=CC(C(=O)N3CCCC3C3=N[N-]N=N3)=CC=N2)CC1	REAL300020251896	1	47	0.0	-71.90	353.87	1.01	-70.89
[NH3+]C(CC1=CC=C(Br)N=C1)C(=O)N1CCCC1C1=NN=N[N-]1	REAL300020251897	0	38	0.0	-64.83	329.23	1.30	-63.53
[NH3+]C(CC1=CC=C(Br)N=C1)C(=O)N1CCCC1C1=N[N-]N=N1	REAL300020251897	1	38	0.0	-64.83	329.17	1.28	-63.55
O=C(CCC1CC2=CC=CC=C2C[NH2+]1)N1CCCC1C1=N[N-]N=N1	REAL300020251898	0	46	0.0	-79.68	357.76	5.64	-74.04
O=C(CCC1CC2=CC=CC=C2C[NH2+]1)N1CCCC1C1=NN=N[N-]1	REAL300020251898	1	46	0.0	-79.69	357.82	5.66	-74.03
CC1=CC=C(CC(C[NH3+])C(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020251899	0	45	0.0	-88.93	346.68	3.77	-85.16
CC1=CC=C(CC(C[NH3+])C(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020251899	1	45	0.0	-88.92	346.74	3.80	-85.12
[NH3+]C(CC1=COC2=CC=CC=C12)C(=O)N1CCCC1C1=N[N-]N=N1	REAL300020251900	0	42	0.0	-63.02	342.32	3.02	-60.00
[NH3+]C(CC1=COC2=CC=CC=C12)C(=O)N1CCCC1C1=NN=N[N-]1	REAL300020251900	1	42	0.0	-63.05	342.37	3.04	-60.01
NC(CC1=COC2=CC=CC=C12)C(=O)N1CCCC1C1=N[N-]N=N1	REAL300020251900	1	41	-1.0	-55.46	336.10	2.65	-52.81
CS(=O)(=O)CC[C@@H]([NH3+])C(=O)N1CCCC1C1=N[N-]N=N1	REAL300020251901	0	38	0.0	-77.80	316.96	-2.83	-80.63
CS(=O)(=O)CC[C@@H]([NH3+])C(=O)N1CCCC1C1=NN=N[N-]1	REAL300020251901	1	38	0.0	-77.82	317.01	-2.81	-80.63
CS(=O)(=O)CC[C@@H](N)C(=O)N1CCCC1C1=N[N-]N=N1	REAL300020251901	1	37	-1.0	-68.11	314.67	-3.14	-71.25
CS(=O)(=O)CC[C@@H](N)C(=O)N1CCCC1C1=NN=N[N-]1	REAL300020251901	1	37	-1.0	-68.11	314.72	-3.11	-71.22
O=C(CC12CCCCC1[NH2+]CCC2)N1CCCC1C1=N[N-]N=N1	REAL300020251902	0	49	0.0	-76.27	340.05	4.51	-71.76
O=C(CC12CCCCC1[NH2+]CCC2)N1CCCC1C1=NN=N[N-]1	REAL300020251902	1	49	0.0	-76.25	340.10	4.53	-71.72
NC1=C2C=CN(CC(=O)N3CCCC3C3=N[N-]N=N3)C2=CC=C1	REAL300020251903	0	39	-1.0	-56.28	327.24	4.00	-52.28
NC1=C2C=CN(CC(=O)N3CCCC3C3=NN=N[N-]3)C2=CC=C1	REAL300020251903	1	39	-1.0	-56.25	327.29	4.02	-52.23
COC1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=CC=C1C[NH3+]	REAL300020251904	0	40	0.0	-86.36	320.21	0.98	-85.38
COC1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=CC=C1C[NH3+]	REAL300020251904	1	40	0.0	-86.35	320.27	1.01	-85.34
O=C(N1CCCC1C1=N[N-]N=N1)C1(C(F)F)CC[NH2+]CC1	REAL300020251905	0	39	0.0	-81.54	289.45	1.70	-79.84
O=C(N1CCCC1C1=NN=N[N-]1)C1(C(F)F)CC[NH2+]CC1	REAL300020251905	1	39	0.0	-81.57	289.51	1.72	-79.85
O=C(C1C[NH2+]CC2=NC=CN2C1)N1CCCC1C1=N[N-]N=N1	REAL300020251906	0	40	0.0	-65.48	309.20	2.02	-63.46
O=C(C1CNCC2=NC=CN2C1)N1CCCC1C1=N[N-]N=N1	REAL300020251906	1	39	-1.0	-48.12	306.54	0.81	-47.31
O=C(C1C[NH2+]CC2=NC=CN2C1)N1CCCC1C1=NN=N[N-]1	REAL300020251906	1	40	0.0	-65.53	309.26	2.05	-63.48
O=C(C1CNCC2=NC=CN2C1)N1CCCC1C1=NN=N[N-]1	REAL300020251906	1	39	-1.0	-48.09	306.60	0.84	-47.25
O=C(C1=CSC(CC2CCC[NH2+]C2)=N1)N1CCCC1C1=N[N-]N=N1	REAL300020251907	0	45	0.0	-72.81	361.63	3.83	-68.98
O=C(C1=CSC(CC2CCC[NH2+]C2)=N1)N1CCCC1C1=NN=N[N-]1	REAL300020251907	1	45	0.0	-72.79	361.69	3.86	-68.93
CC1=C(C(=O)N2CCCC2C2=N[N-]N=N2)SC(CC2CC[NH2+]C2)=N1	REAL300020251908	0	45	0.0	-79.10	361.54	2.94	-76.16
CC1=C(C(=O)N2CCCC2C2=NN=N[N-]2)SC(CC2CC[NH2+]C2)=N1	REAL300020251908	1	45	0.0	-79.10	361.60	2.96	-76.14
[NH3+]C(CC1=C2C=CC=CC2=NN1)C(=O)N1CCCC1C1=N[N-]N=N1	REAL300020251909	0	42	0.0	-65.48	341.97	1.23	-64.25
[NH3+]C(CC1=C2C=CC=CC2=NN1)C(=O)N1CCCC1C1=NN=N[N-]1	REAL300020251909	1	42	0.0	-65.47	342.02	1.25	-64.22
O=C(CCNOCC1=CC=CC=C1)N1CCCC1C1=N[N-]N=N1	REAL300020251910	0	42	-1.0	-54.60	352.50	3.85	-50.75
O=C(CCNOCC1=CC=CC=C1)N1CCCC1C1=NN=N[N-]1	REAL300020251910	1	42	-1.0	-54.60	352.56	3.87	-50.73
[NH3+]CCCCC(CC(F)(F)F)C(=O)N1CCCC1C1=N[N-]N=N1	REAL300020251911	0	44	0.0	-82.18	343.99	2.46	-79.72
[NH3+]CCCCC(CC(F)(F)F)C(=O)N1CCCC1C1=NN=N[N-]1	REAL300020251911	1	44	0.0	-82.19	344.05	2.48	-79.71
O=C(C1C[NH2+]C2(C1)CCOCC2)N1CCCC1C1=N[N-]N=N1	REAL300020251912	0	44	0.0	-73.23	325.27	1.64	-71.59
O=C(C1C[NH2+]C2(C1)CCOCC2)N1CCCC1C1=NN=N[N-]1	REAL300020251912	1	44	0.0	-73.30	325.32	1.66	-71.64
O=C([O-])C1CC12CCC(C(=O)N1CCCC1C1=N[N-]N=N1)C2	REAL300020251913	0	39	-2.0	-101.22	319.28	5.31	-95.91
O=C([O-])C1CC12CCC(C(=O)N1CCCC1C1=NN=N[N-]1)C2	REAL300020251913	1	39	-2.0	-101.23	319.34	5.32	-95.91
[NH3+]C1CC2(C1)CC1(CC(C(=O)N3CCCC3C3=N[N-]N=N3)C1)C2	REAL300020251914	0	47	0.0	-86.84	362.39	3.91	-82.93
[NH3+]C1CC2(C1)CC1(CC(C(=O)N3CCCC3C3=NN=N[N-]3)C1)C2	REAL300020251914	1	47	0.0	-86.87	362.45	3.94	-82.93
COC1=CC=C(CC([NH3+])C(=O)N2CCCC2C2=N[N-]N=N2)C=C1OC	REAL300020251915	0	47	0.0	-65.62	372.36	1.86	-63.76
COC1=CC=C(CC([NH3+])C(=O)N2CCCC2C2=NN=N[N-]2)C=C1OC	REAL300020251915	1	47	0.0	-65.63	372.41	1.89	-63.74
COC1=CC=C(C([NH3+])CC(=O)N2CCCC2C2=NN=N[N-]2)C=N1	REAL300020251916	0	42	0.0	-55.83	339.59	-0.37	-56.20
COC1=CC=C(C([NH3+])CC(=O)N2CCCC2C2=N[N-]N=N2)C=N1	REAL300020251916	1	42	0.0	-55.81	339.53	-0.39	-56.20
N#CC1=CC=CC(CC([NH3+])C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020251917	0	40	0.0	-68.66	334.47	3.05	-65.61
N#CC1=CC=CC(CC([NH3+])C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020251917	1	40	0.0	-68.69	334.53	3.08	-65.61
COC(=O)C1=CC=C(C[C@H]([NH3+])C(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020251918	0	45	0.0	-66.55	367.52	3.31	-63.24
COC(=O)C1=CC=C(C[C@H]([NH3+])C(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020251918	1	45	0.0	-66.58	367.58	3.33	-63.25
O=C(C1=CC(=O)NC2=C1C[NH2+]CC2)N1CCCC1C1=N[N-]N=N1	REAL300020251919	0	40	0.0	-66.21	322.22	0.62	-65.59
O=C(C1=CC(=O)NC2=C1C[NH2+]CC2)N1CCCC1C1=NN=N[N-]1	REAL300020251919	1	40	0.0	-66.22	322.29	0.63	-65.59
O=C(CCC1=NN=N[N-]1)NC1=CC=NN1CC1CC[NH2+]CC1	REAL300020251920	0	42	0.0	-67.00	328.91	2.84	-64.16
O=C(CCC1=N[N-]N=N1)NC1=CC=NN1CC1CC[NH2+]CC1	REAL300020251920	1	42	0.0	-67.04	328.85	2.83	-64.21
[NH3+]CC1(C2CCOCC2)CCN(C(=O)CCC2=N[N-]N=N2)C1	REAL300020251921	0	46	0.0	-83.56	335.79	1.42	-82.14
[NH3+]CC1(C2CCOCC2)CCN(C(=O)CCC2=NN=N[N-]2)C1	REAL300020251921	1	46	0.0	-83.57	335.85	1.43	-82.14
O=C(CCC1=N[N-]N=N1)NC[C@]12C[C@@]1(C(F)(F)F)C[NH2+]C2	REAL300020251922	0	36	0.0	-77.44	306.81	1.44	-76.00
O=C(CCC1=NN=N[N-]1)NC[C@]12C[C@@]1(C(F)(F)F)C[NH2+]C2	REAL300020251922	1	36	0.0	-77.44	306.87	1.46	-75.98
O=C(CCC1=N[N-]N=N1)N1CCC[C@@H]1C(=O)N1CC[NH2+]CC1	REAL300020251923	0	43	0.0	-83.07	330.12	2.77	-80.30
O=C(CCC1=NN=N[N-]1)N1CCC[C@@H]1C(=O)N1CC[NH2+]CC1	REAL300020251923	1	43	0.0	-83.08	330.18	2.78	-80.30
O=C(CCC1=N[N-]N=N1)N1CCC[C@@H]1C(=O)N1CCNCC1	REAL300020251923	1	42	-1.0	-51.03	329.79	1.72	-49.31
O=C(CCC1=N[N-]N=N1)N[C@@H]1C[NH2+]C[C@@H]1CC1=CC=CC=C1	REAL300020251924	0	42	0.0	-66.22	336.71	3.96	-62.26
O=C(CCC1=NN=N[N-]1)N[C@@H]1C[NH2+]C[C@@H]1CC1=CC=CC=C1	REAL300020251924	1	42	0.0	-66.26	336.77	3.97	-62.29
COC(=O)C1=C2CNCCN2C(CNC(=O)CCC2=N[N-]N=N2)=C1	REAL300020251925	0	42	-1.0	-41.90	355.68	0.64	-41.26
COC(=O)C1=C2CNCCN2C(CNC(=O)CCC2=NN=N[N-]2)=C1	REAL300020251925	1	42	-1.0	-41.90	355.73	0.65	-41.25
COC(=O)C1=C2C[NH2+]CCN2C(CNC(=O)CCC2=N[N-]N=N2)=C1	REAL300020251925	1	43	0.0	-74.40	358.83	2.00	-72.40
COC(=O)C1=C2C[NH2+]CCN2C(CNC(=O)CCC2=NN=N[N-]2)=C1	REAL300020251925	1	43	0.0	-74.41	358.89	2.02	-72.39
CC(C)(C)C1=CC=C(C2C[NH2+]CCN2C(=O)CCC2=N[N-]N=N2)C=C1	REAL300020251926	0	51	0.0	-71.11	380.52	6.05	-65.06
CC(C)(C)C1=CC=C(C2C[NH2+]CCN2C(=O)CCC2=NN=N[N-]2)C=C1	REAL300020251926	1	51	0.0	-71.08	380.58	6.06	-65.02
CC(C)(C)C1=CC=C(C2CNCCN2C(=O)CCC2=N[N-]N=N2)C=C1	REAL300020251926	1	50	-1.0	-39.78	377.82	4.70	-35.08
CC(C)(C)C1=CC=C(C2CNCCN2C(=O)CCC2=NN=N[N-]2)C=C1	REAL300020251926	1	50	-1.0	-39.76	377.87	4.71	-35.05
O=C(CCC1=N[N-]N=N1)N1CCC[C@H]1C(=O)N1CC[NH2+]CC1	REAL300020251927	0	43	0.0	-81.85	334.77	1.91	-79.94
O=C(CCC1=NN=N[N-]1)N1CCC[C@H]1C(=O)N1CC[NH2+]CC1	REAL300020251927	1	43	0.0	-81.86	334.83	1.92	-79.94
O=C(CCC1=N[N-]N=N1)N1CCC[C@H]1C(=O)N1CCNCC1	REAL300020251927	1	42	-1.0	-51.54	330.22	1.66	-49.88
O=C(CCC1=N[N-]N=N1)NC1CS(=O)(=O)C12CC[NH2+]CC2	REAL300020251928	0	39	0.0	-73.16	315.65	-1.75	-74.91
O=C(CCC1=NN=N[N-]1)NC1CS(=O)(=O)C12CC[NH2+]CC2	REAL300020251928	1	39	0.0	-73.21	315.71	-1.74	-74.95
[NH3+]C1CCS(=O)(=O)C2(CC(CNC(=O)CCC3=N[N-]N=N3)C2)C1	REAL300020251929	0	45	0.0	-93.81	362.67	-1.76	-95.57
[NH3+]C1CCS(=O)(=O)C2(CC(CNC(=O)CCC3=NN=N[N-]3)C2)C1	REAL300020251929	1	45	0.0	-93.78	362.73	-1.74	-95.52
O=C(CCC1=N[N-]N=N1)NC1=CC(Br)=C2OCC[NH2+]CC2=C1	REAL300020251930	0	37	0.0	-63.17	321.37	2.11	-61.06
O=C(CCC1=NN=N[N-]1)NC1=CC(Br)=C2OCC[NH2+]CC2=C1	REAL300020251930	1	37	0.0	-63.16	321.43	2.13	-61.03
CCOC(=O)C1CC[NH2+]CCC1NC(=O)CCC1=N[N-]N=N1	REAL300020251931	0	44	0.0	-75.03	343.80	2.47	-72.56
CCOC(=O)C1CC[NH2+]CCC1NC(=O)CCC1=NN=N[N-]1	REAL300020251931	1	44	0.0	-75.07	343.86	2.49	-72.58
[NH3+]C1CN(C(=O)CCC2=N[N-]N=N2)CC12CCS(=O)(=O)CC2	REAL300020251932	0	42	0.0	-85.13	326.83	-1.76	-86.89
[NH3+]C1CN(C(=O)CCC2=NN=N[N-]2)CC12CCS(=O)(=O)CC2	REAL300020251932	1	42	0.0	-85.11	326.89	-1.74	-86.85
O=C(CCC1=N[N-]N=N1)NC1C[NH2+]CC12CCS(=O)(=O)CC2	REAL300020251933	0	42	0.0	-89.75	324.20	-1.14	-90.89
O=C(CCC1=NN=N[N-]1)NC1C[NH2+]CC12CCS(=O)(=O)CC2	REAL300020251933	1	42	0.0	-89.76	324.25	-1.13	-90.89
CN1N=C(C2CCC[NH2+]C2)N=C1NC(=O)CCC1=N[N-]N=N1	REAL300020251934	0	41	0.0	-67.81	333.59	4.05	-63.76
CN1N=C(C2CCC[NH2+]C2)N=C1NC(=O)CCC1=NN=N[N-]1	REAL300020251934	1	41	0.0	-67.85	333.65	4.06	-63.79
[NH3+][C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)CCC3=N[N-]N=N3)C[C@H]21	REAL300020251935	0	36	0.0	-94.77	299.48	-2.81	-97.58
[NH3+][C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)CCC3=NN=N[N-]3)C[C@H]21	REAL300020251935	1	36	0.0	-94.78	299.54	-2.79	-97.57
CN(C(=O)CCC1=N[N-]N=N1)C1CS(=O)(=O)C12CC[NH2+]CC2	REAL300020251936	0	42	0.0	-66.09	318.09	0.28	-65.81
CN(C(=O)CCC1=NN=N[N-]1)C1CS(=O)(=O)C12CC[NH2+]CC2	REAL300020251936	1	42	0.0	-66.12	318.14	0.30	-65.82
O=C(CCC1=N[N-]N=N1)NCC1C[NH2+]CCC12CCOCC2	REAL300020251937	0	46	0.0	-74.87	331.04	0.48	-74.39
O=C(CCC1=NN=N[N-]1)NCC1C[NH2+]CCC12CCOCC2	REAL300020251937	1	46	0.0	-74.83	331.10	0.50	-74.33
O=C(CCC1=N[N-]N=N1)N=S1(=O)CCCC2(CCC[NH2+]2)C1	REAL300020251938	0	41	0.0	-75.80	318.27	2.10	-73.70
O=C(CCC1=NN=N[N-]1)N=S1(=O)CCCC2(CCC[NH2+]2)C1	REAL300020251938	1	41	0.0	-75.79	318.32	2.11	-73.68
CC1(C)C(C[NH3+])CCS1(=O)=NC(=O)CCC1=N[N-]N=N1	REAL300020251939	0	40	0.0	-105.71	319.44	-1.02	-106.73
CC1(C)C(C[NH3+])CCS1(=O)=NC(=O)CCC1=NN=N[N-]1	REAL300020251939	1	40	0.0	-105.69	319.50	-1.00	-106.69
[NH3+]CCCN1C=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)N=N1	REAL300020251940	0	44	0.0	-81.54	339.34	1.29	-80.25
[NH3+]CCCN1C=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)N=N1	REAL300020251940	1	44	0.0	-81.54	339.29	1.27	-80.27
[NH3+]CCCCN1C=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)N=N1	REAL300020251941	0	47	0.0	-81.35	360.84	2.08	-79.27
[NH3+]CCCCN1C=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)N=N1	REAL300020251941	1	47	0.0	-81.28	360.78	2.06	-79.22
NC1=CC=CC(CC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020251942	0	41	-1.0	-50.51	318.36	4.36	-46.15
NC1=CC=CC(CC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020251942	1	41	-1.0	-50.50	318.42	4.38	-46.12
NC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C(O)=C1	REAL300020251943	0	39	-1.0	-50.34	302.75	1.08	-49.26
NC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C(O)=C1	REAL300020251943	1	39	-1.0	-50.34	302.71	1.11	-49.23
O=C(C1=NOC2(C1)CC[NH2+]CC2)N1CCCCC1CC1=N[N-]N=N1	REAL300020251944	0	47	0.0	-69.97	344.68	3.38	-66.59
O=C(C1=NOC2(C1)CC[NH2+]CC2)N1CCCCC1CC1=NN=N[N-]1	REAL300020251944	1	47	0.0	-69.96	344.73	3.39	-66.57
O=C(C1CC2CCC1[NH2+]C2)N1CCCCC1CC1=N[N-]N=N1	REAL300020251945	0	46	0.0	-67.93	314.31	4.34	-63.59
O=C(C1CC2CCC1[NH2+]C2)N1CCCCC1CC1=NN=N[N-]1	REAL300020251945	1	46	0.0	-67.94	314.38	4.35	-63.59
NC1=CC=C(CC2=NC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=CS2)C=C1	REAL300020251946	0	47	-1.0	-51.68	380.97	5.55	-46.13
NC1=CC=C(CC2=NC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=CS2)C=C1	REAL300020251946	1	47	-1.0	-51.76	381.02	5.57	-46.19
O=C(C1=CN(C2CCC[NH2+]C2)N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020251947	0	49	0.0	-79.35	362.06	3.78	-75.57
O=C(C1=CN(C2CCC[NH2+]C2)N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020251947	1	49	0.0	-79.33	362.01	3.77	-75.56
[NH3+]C1CCCCN(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C1=O	REAL300020251948	0	49	0.0	-71.49	341.00	3.20	-68.29
[NH3+]C1CCCCN(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C1=O	REAL300020251948	1	49	0.0	-71.44	341.02	3.20	-68.24
CC([NH3+])C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020251949	0	45	0.0	-81.29	336.65	4.08	-77.21
CC([NH3+])C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020251949	1	45	0.0	-81.25	336.65	4.10	-77.15
[NH3+]C(CCC(=O)N1CCCCC1CC1=N[N-]N=N1)CC1CCCCC1	REAL300020251950	0	57	0.0	-73.55	400.89	6.34	-67.21
[NH3+]C(CCC(=O)N1CCCCC1CC1=NN=N[N-]1)CC1CCCCC1	REAL300020251950	1	57	0.0	-73.58	400.94	6.37	-67.21
COC1=CC=CC(NCC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020251951	0	45	-1.0	-49.68	345.47	3.99	-45.69
COC1=CC=CC(NCC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020251951	1	45	-1.0	-49.67	345.52	4.00	-45.67
O=C(C1CC12CCC[NH2+]C2)N1CCCCC1CC1=N[N-]N=N1	REAL300020251952	0	46	0.0	-58.85	327.56	4.72	-54.13
O=C(C1CC12CCC[NH2+]C2)N1CCCCC1CC1=NN=N[N-]1	REAL300020251952	1	46	0.0	-58.82	327.61	4.73	-54.09
N#CCCCCC([NH3+])C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020251953	0	45	0.0	-74.86	341.24	3.50	-71.36
N#CCCCCC([NH3+])C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020251953	1	45	0.0	-74.82	341.29	3.52	-71.30
O=C(C1=CN=C(C2CC[NH2+]CC2)O1)N1CCCCC1CC1=N[N-]N=N1	REAL300020251954	0	48	0.0	-81.23	363.94	1.37	-79.86
O=C(C1=CN=C(C2CC[NH2+]CC2)O1)N1CCCCC1CC1=NN=N[N-]1	REAL300020251954	1	48	0.0	-81.26	364.09	1.37	-79.89
O=C(C#CC1CC[NH2+]CC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020251955	0	44	0.0	-81.75	337.90	4.62	-77.13
O=C(C#CC1CC[NH2+]CC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020251955	1	44	0.0	-82.33	337.96	4.64	-77.69
O=C(C1CC2C=CC1[NH2+]C2)N1CCCCC1CC1=N[N-]N=N1	REAL300020251956	0	44	0.0	-76.14	314.65	3.73	-72.41
O=C(C1CC2C=CC1[NH2+]C2)N1CCCCC1CC1=NN=N[N-]1	REAL300020251956	1	44	0.0	-76.14	314.70	3.74	-72.40
O=C(C1C[NH2+]CC2=CC=CC=C21)N1CCCCC1CC1=N[N-]N=N1	REAL300020251957	0	46	0.0	-74.22	334.58	5.53	-68.69
O=C(C1C[NH2+]CC2=CC=CC=C21)N1CCCCC1CC1=NN=N[N-]1	REAL300020251957	1	46	0.0	-74.19	334.62	5.55	-68.64
O=C(C1=CC2=C(CC[NH2+]C2)S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020251958	0	43	0.0	-78.83	331.08	4.86	-73.97
O=C(C1=CC2=C(CC[NH2+]C2)S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020251958	1	43	0.0	-78.78	331.13	4.88	-73.90
O=C(C1=CC2=C(C[NH2+]C2)S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020251959	0	40	0.0	-81.72	313.52	4.03	-77.69
O=C(C1=CC2=C(CNC2)S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020251959	1	39	-1.0	-51.13	310.00	2.52	-48.61
O=C(C1=CC2=C(CNC2)S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020251959	1	39	-1.0	-51.18	310.04	2.53	-48.65
[NH3+]CC1CCCC2=CC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C21	REAL300020251960	0	52	0.0	-81.87	376.49	5.74	-76.13
[NH3+]CC1CCCC2=CC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C21	REAL300020251960	1	52	0.0	-81.82	376.52	5.75	-76.07
O=C(C1=CN(C2CCC[NH2+]CC2)N=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020251961	0	51	0.0	-78.77	370.67	3.57	-75.20
O=C(C1=CN(C2CCC[NH2+]CC2)N=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020251961	1	51	0.0	-78.80	370.62	3.56	-75.24
CC(C)C[C@H](C[NH3+])CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020251962	0	50	0.0	-62.34	356.74	3.85	-58.49
CC(C)C[C@H](C[NH3+])CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020251962	1	50	0.0	-62.38	356.79	3.86	-58.52
O=C(C1=CNN=C1C1CC[NH2+]C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020251963	0	46	0.0	-66.63	341.78	2.51	-64.12
O=C(C1=CNN=C1C1CC[NH2+]C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020251963	1	46	0.0	-66.59	341.80	2.52	-64.07
C[C@H](OCC1=CC=CC=C1)[C@@H]([NH3+])C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020251964	0	52	0.0	-56.61	390.50	4.67	-51.94
C[C@H](OCC1=CC=CC=C1)[C@@H]([NH3+])C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020251964	1	52	0.0	-56.66	390.56	4.68	-51.98
C[C@H](OCC1=CC=CC=C1)[C@@H](N)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020251964	1	51	-1.0	-53.34	381.78	4.27	-49.07
COC1=CC=CC(CC([NH3+])C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020251965	0	49	0.0	-52.97	367.43	3.75	-49.22
COC1=CC=CC(CC([NH3+])C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020251965	1	49	0.0	-52.95	367.49	3.76	-49.19
CC(C(=O)N1CCCCC1CC1=N[N-]N=N1)N1CCNCC1=O	REAL300020251966	0	45	-1.0	-51.47	326.48	1.97	-49.50
CC(C(=O)N1CCCCC1CC1=NN=N[N-]1)N1CCNCC1=O	REAL300020251966	1	45	-1.0	-51.47	326.55	1.96	-49.51
NC1=CC=CC(CC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1Cl	REAL300020251967	0	41	-1.0	-48.06	330.23	4.86	-43.20
NC1=CC=CC(CC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1Cl	REAL300020251967	1	41	-1.0	-48.11	330.28	4.88	-43.23
[NH3+]CCN1C=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)N=N1	REAL300020251968	0	41	0.0	-81.97	317.84	0.53	-81.44
[NH3+]CCN1C=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)N=N1	REAL300020251968	1	41	0.0	-81.98	317.79	0.51	-81.47
O=C(CC1[NH2+]CC2=CC=CC=C21)N1CCCCC1CC1=N[N-]N=N1	REAL300020251969	0	46	0.0	-41.40	343.26	5.94	-35.46
O=C(CC1[NH2+]CC2=CC=CC=C21)N1CCCCC1CC1=NN=N[N-]1	REAL300020251969	1	46	0.0	-41.40	343.31	5.95	-35.45
O=C(C1=C(Br)C2=C(CNC2)S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020251970	0	39	-1.0	-51.20	331.50	3.25	-47.95
O=C(C1=C(Br)C2=C(CNC2)S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020251970	1	39	-1.0	-51.20	331.54	3.28	-47.92
O=C(C1=C(Br)C2=C(C[NH2+]C2)S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020251970	1	40	0.0	-79.36	335.06	4.41	-74.95
[NH3+]C(CC1=NNC=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020251971	0	42	0.0	-63.37	323.02	0.28	-63.09
[NH3+]C(CC1=NNC=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020251971	1	42	0.0	-63.43	323.09	0.29	-63.14
O=C(C1=CC=CC2=C1CC[NH2+]C2)N1CCCCC1CC1=N[N-]N=N1	REAL300020251972	0	46	0.0	-71.74	334.87	5.34	-66.40
O=C(C1=CC=CC2=C1CC[NH2+]C2)N1CCCCC1CC1=NN=N[N-]1	REAL300020251972	1	46	0.0	-71.60	334.87	5.35	-66.25
O=C(CCC1CCC[NH2+]C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020251973	0	48	0.0	-74.12	348.31	4.62	-69.50
O=C(CCC1CCC[NH2+]C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020251973	1	48	0.0	-74.14	348.38	4.61	-69.53
O=C(C1=CC(C2CC[NH2+]CC2)=NO1)N1CCCCC1CC1=N[N-]N=N1	REAL300020251974	0	48	0.0	-69.91	356.68	4.37	-65.54
O=C(C1=CC(C2CC[NH2+]CC2)=NO1)N1CCCCC1CC1=NN=N[N-]1	REAL300020251974	1	48	0.0	-69.91	356.73	4.38	-65.53
O=C(C1=NOC2(C1)CCC[NH2+]C2)N1CCCCC1CC1=N[N-]N=N1	REAL300020251975	0	47	0.0	-66.59	344.80	3.36	-63.23
O=C(C1=NOC2(C1)CCC[NH2+]C2)N1CCCCC1CC1=NN=N[N-]1	REAL300020251975	1	47	0.0	-66.57	344.85	3.36	-63.21
O=C(CC1=CC=CC2=C1CC[NH2+]C2)N1CCCCC1CC1=N[N-]N=N1	REAL300020251976	0	49	0.0	-69.82	364.56	6.00	-63.82
O=C(CC1=CC=CC2=C1CC[NH2+]C2)N1CCCCC1CC1=NN=N[N-]1	REAL300020251976	1	49	0.0	-69.79	364.63	6.01	-63.78
[NH3+]C1CC2=CC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2C1	REAL300020251977	0	46	0.0	-88.28	344.66	4.59	-83.69
[NH3+]C1CC2=CC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2C1	REAL300020251977	1	46	0.0	-88.30	344.69	4.59	-83.71
O=C(C1=C(C(F)F)N(C2CC[NH2+]CC2)N=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020251978	0	51	0.0	-73.87	386.89	4.06	-69.81
O=C(C1=C(C(F)F)N(C2CC[NH2+]CC2)N=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020251978	1	51	0.0	-73.92	386.94	4.08	-69.84
O=C(CC1(O)CCC[NH2+]C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020251979	0	46	0.0	-63.29	332.04	1.80	-61.49
O=C(CC1(O)CCC[NH2+]C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020251979	1	46	0.0	-63.27	332.10	1.81	-61.46
O=C(C=CC1CCC[NH2+]C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020251980	0	46	0.0	-74.36	337.11	4.90	-69.46
O=C(C=CC1CCC[NH2+]C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020251980	1	46	0.0	-74.36	337.17	4.91	-69.45
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)OC(C[NH3+])=C1	REAL300020251981	0	42	0.0	-85.09	318.89	2.66	-82.43
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)OC(C[NH3+])=C1	REAL300020251981	1	42	0.0	-85.12	318.94	2.68	-82.44
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)OC(CN)=C1	REAL300020251981	1	41	-1.0	-48.73	315.43	2.26	-46.47
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)OC(CN)=C1	REAL300020251981	1	41	-1.0	-48.76	315.48	2.28	-46.48
C[N@@H+](CC1=CC=CC=C1)CC(N)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020251982	0	53	0.0	-70.35	394.60	5.01	-65.34
C[N@H+](CC1=CC=CC=C1)CC(N)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020251982	1	53	0.0	-52.87	389.65	5.43	-47.44
C[N@@H+](CC1=CC=CC=C1)CC(N)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020251982	1	53	0.0	-70.32	394.67	5.03	-65.29
C[N@H+](CC1=CC=CC=C1)CC(N)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020251982	1	53	0.0	-52.83	389.70	5.44	-47.39
[NH3+]CC1=NC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020251983	0	40	0.0	-69.50	310.81	0.57	-68.93
[NH3+]CC1=NC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020251983	1	40	0.0	-69.51	310.86	0.57	-68.94
NCC1=NC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020251983	1	39	-1.0	-46.16	305.83	0.09	-46.07
NCC1=NC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020251983	1	39	-1.0	-46.18	305.83	0.10	-46.08
[NH3+]C1(CC(=O)N2CCCCC2CC2=N[N-]N=N2)CCN(CC2=CC=CC=C2)CC1	REAL300020251984	0	60	0.0	-28.96	416.65	5.79	-23.17
[NH3+]C1(CC(=O)N2CCCCC2CC2=NN=N[N-]2)CCN(CC2=CC=CC=C2)CC1	REAL300020251984	1	60	0.0	-28.88	416.69	5.80	-23.08
NC1=CC=C(Cl)C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020251985	0	38	-1.0	-50.34	306.77	3.70	-46.64
NC1=CC=C(Cl)C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020251985	1	38	-1.0	-50.34	306.78	3.70	-46.64
O=C(C1=CSC(C2CC[NH2+]CC2)=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020251986	0	48	0.0	-84.63	365.18	4.71	-79.92
O=C(C1=CSC(C2CC[NH2+]CC2)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020251986	1	48	0.0	-84.60	365.24	4.72	-79.88
O=C(CCC12CC(C1)C[NH2+]2)N1CCCCC1CC1=N[N-]N=N1	REAL300020251987	0	46	0.0	-74.51	339.41	4.59	-69.92
O=C(CCC12CC(C1)C[NH2+]2)N1CCCCC1CC1=NN=N[N-]1	REAL300020251987	1	46	0.0	-74.54	339.48	4.61	-69.93
O=C(C1=CNC(C2CC[NH2+]CC2)=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020251988	0	49	0.0	-84.10	360.74	4.34	-79.76
O=C(C1=CNC(C2CC[NH2+]CC2)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020251988	1	49	0.0	-84.12	360.79	4.35	-79.77
[NH3+][C@@H]1CCCC[C@@H]1CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020251989	0	48	0.0	-85.24	336.00	3.42	-81.82
[NH3+][C@@H]1CCCC[C@@H]1CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020251989	1	48	0.0	-85.25	336.07	3.43	-81.82
[NH3+]C(CC1OCCO1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020251990	0	44	0.0	-67.75	329.66	-0.08	-67.83
[NH3+]C(CC1OCCO1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020251990	1	44	0.0	-67.68	329.73	-0.08	-67.76
CC(C)C([NH3+])C(=O)NCCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020251991	0	51	0.0	-77.76	376.50	1.84	-75.92
CC(C)C([NH3+])C(=O)NCCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020251991	1	51	0.0	-77.75	376.55	1.84	-75.91
O=C(C1=CC=NC(N2CC[NH2+]CC2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020251992	0	50	0.0	-79.15	371.32	3.83	-75.32
O=C(C1=CC=NC(N2CC[NH2+]CC2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020251992	1	50	0.0	-79.19	371.28	3.81	-75.38
C=CCOC(=O)[C@@H](N)CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020251993	0	44	-1.0	-47.17	351.52	2.65	-44.52
C=CCOC(=O)[C@@H](N)CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020251993	1	44	-1.0	-47.17	351.58	2.66	-44.51
CNC1=CC=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020251994	0	41	-1.0	-50.08	314.99	4.17	-45.91
CNC1=CC=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020251994	1	41	-1.0	-50.07	315.02	4.17	-45.90
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)SC(C2CC[NH2+]CC2)=N1	REAL300020251995	0	51	0.0	-78.62	389.86	4.76	-73.86
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)SC(C2CC[NH2+]CC2)=N1	REAL300020251995	1	51	0.0	-78.17	389.83	4.75	-73.42
NC1=NC=C(CCC(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020251996	0	40	-1.0	-47.83	329.30	3.07	-44.76
NC1=NC=C(CCC(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020251996	1	40	-1.0	-47.87	329.23	3.06	-44.81
[NH3+]C[C@@H]1[C@H](C(=O)N2CCCCC2CC2=N[N-]N=N2)C1(F)F	REAL300020251997	0	39	0.0	-61.23	298.13	2.32	-58.91
[NH3+]C[C@@H]1[C@H](C(=O)N2CCCCC2CC2=NN=N[N-]2)C1(F)F	REAL300020251997	1	39	0.0	-61.19	298.13	2.34	-58.85
O=C(N1CCCCC1CC1=N[N-]N=N1)[C@@]12CCC[C@@H]1[NH2+]CC2	REAL300020251998	0	46	0.0	-68.62	316.06	4.05	-64.57
O=C(N1CCCCC1CC1=NN=N[N-]1)[C@@]12CCC[C@@H]1[NH2+]CC2	REAL300020251998	1	46	0.0	-68.65	316.11	4.06	-64.59
[NH3+]C1CCOC2(CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)C2)C1	REAL300020251999	0	50	0.0	-76.59	364.21	2.42	-74.17
[NH3+]C1CCOC2(CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)C2)C1	REAL300020251999	1	50	0.0	-76.64	364.28	2.44	-74.20
O=C(C1=CN=C(CC2CC[NH2+]CC2)S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020252000	0	51	0.0	-71.33	384.63	4.79	-66.54
O=C(C1=CN=C(CC2CC[NH2+]CC2)S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020252000	1	51	0.0	-71.77	385.06	4.78	-66.99
[NH3+]C(CC1=CC2=CC=CC=C2O1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252001	0	48	0.0	-68.17	371.78	4.60	-63.57
[NH3+]C(CC1=CC2=CC=CC=C2O1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252001	1	48	0.0	-68.16	371.84	4.62	-63.54
NC(CC1=CC2=CC=CC=C2O1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252001	1	47	-1.0	-48.62	370.39	4.23	-44.39
NC(CC1=CC2=CC=CC=C2O1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252001	1	47	-1.0	-48.64	370.45	4.25	-44.39
N#CC1C[NH2+]CC12CC(C(=O)N1CCCCC1CC1=N[N-]N=N1)C2	REAL300020252002	0	47	0.0	-95.36	347.49	4.52	-90.84
N#CC1C[NH2+]CC12CC(C(=O)N1CCCCC1CC1=NN=N[N-]1)C2	REAL300020252002	1	47	0.0	-95.33	347.54	4.52	-90.81
CS(=O)(=O)CC[C@H]([NH3+])C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252003	0	44	0.0	-72.03	341.82	-0.98	-73.01
CS(=O)(=O)CC[C@H]([NH3+])C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252003	1	44	0.0	-72.00	341.87	-0.98	-72.98
CS(=O)(=O)CC[C@H](N)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252003	1	43	-1.0	-56.31	343.49	-1.65	-57.96
CS(=O)(=O)CC[C@H](N)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252003	1	43	-1.0	-56.38	343.54	-1.64	-58.02
[NH3+]CCCN1C=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=N1	REAL300020252004	0	45	0.0	-90.93	343.75	2.77	-88.16
[NH3+]CCCN1C=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=N1	REAL300020252004	1	45	0.0	-90.91	343.70	2.76	-88.15
[NH3+]CCC1=CN2N=CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=C2N=C1	REAL300020252005	0	47	0.0	-97.12	364.06	3.05	-94.07
[NH3+]CCC1=CN2N=CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=C2N=C1	REAL300020252005	1	47	0.0	-97.13	364.05	3.03	-94.10
O=C(CC1CS(=O)(=O)C2C[NH2+]CC12)N1CCCCC1CC1=N[N-]N=N1	REAL300020252006	0	49	0.0	-106.35	365.05	0.86	-105.49
O=C(CC1CS(=O)(=O)C2C[NH2+]CC12)N1CCCCC1CC1=NN=N[N-]1	REAL300020252006	1	49	0.0	-106.31	365.11	0.86	-105.45
[NH3+][C@H](CC(=O)N1CCCCC1CC1=N[N-]N=N1)CC1=CC=CC=C1	REAL300020252007	0	48	0.0	-48.42	357.05	5.61	-42.81
[NH3+][C@H](CC(=O)N1CCCCC1CC1=NN=N[N-]1)CC1=CC=CC=C1	REAL300020252007	1	48	0.0	-48.41	357.08	5.63	-42.78
CC(N)C1=NC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CS1	REAL300020252008	0	40	-1.0	-50.97	320.20	1.63	-49.34
CC(N)C1=NC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CS1	REAL300020252008	1	40	-1.0	-51.05	320.25	1.63	-49.42
CC([NH3+])C1=NC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CS1	REAL300020252008	1	41	0.0	-85.96	323.68	1.96	-84.00
CC([NH3+])C1=NC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CS1	REAL300020252008	1	41	0.0	-85.92	323.73	1.96	-83.96
O=C(C1CNCCS1(=O)=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252009	0	41	-1.0	-67.07	317.55	-1.05	-68.12
O=C(C1CNCCS1(=O)=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252009	1	41	-1.0	-67.13	317.60	-1.05	-68.18
O=C(C1=CC=CC2=C1OCC[NH2+]C2)N1CCCCC1CC1=N[N-]N=N1	REAL300020252010	0	47	0.0	-80.73	345.85	4.85	-75.88
O=C(C1=CC=CC2=C1OCC[NH2+]C2)N1CCCCC1CC1=NN=N[N-]1	REAL300020252010	1	47	0.0	-80.68	345.84	4.87	-75.81
O=C(C1=CC=NC2=C1CCN2)N1CCCCC1CC1=NN=N[N-]1	REAL300020252011	0	41	-1.0	-48.91	312.43	3.73	-45.18
O=C(C1=CC=NC2=C1CCN2)N1CCCCC1CC1=N[N-]N=N1	REAL300020252011	1	41	-1.0	-48.91	312.44	3.71	-45.20
O=C(C1=CC=CC2=C1CCN2)N1CCCCC1CC1=N[N-]N=N1	REAL300020252012	0	42	-1.0	-50.82	316.23	4.47	-46.35
O=C(C1=CC=CC2=C1CCN2)N1CCCCC1CC1=NN=N[N-]1	REAL300020252012	1	42	-1.0	-50.75	316.26	4.48	-46.27
[NH3+]C1CCCN2N=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C12	REAL300020252013	0	46	0.0	-78.93	341.20	2.64	-76.29
[NH3+]C1CCCN2N=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C12	REAL300020252013	1	46	0.0	-78.97	341.25	2.66	-76.31
O=C(C1CC(=O)N(C2C[NH2+]C2)C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020252014	0	47	0.0	-69.18	347.19	2.04	-67.14
O=C(C1CC(=O)N(C2C[NH2+]C2)C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020252014	1	47	0.0	-69.16	347.26	2.04	-67.12
CCOC1=CC=CC=C1[C@@H]([NH3+])CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252015	0	52	0.0	-43.55	385.20	5.17	-38.38
CCOC1=CC=CC=C1[C@@H]([NH3+])CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252015	1	52	0.0	-43.52	385.22	5.19	-38.33
CCOC1=CC=CC=C1[C@H]([NH3+])CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252016	0	52	0.0	-42.96	385.16	5.16	-37.80
CCOC1=CC=CC=C1[C@H]([NH3+])CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252016	1	52	0.0	-42.90	385.20	5.19	-37.71
[NH3+]CCCSCCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252017	0	45	0.0	-76.08	350.40	3.82	-72.26
[NH3+]CCCSCCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252017	1	45	0.0	-76.08	350.45	3.83	-72.25
CSCC[C@H]([NH3+])CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252018	0	45	0.0	-67.24	347.48	3.30	-63.94
CSCC[C@H]([NH3+])CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252018	1	45	0.0	-67.27	347.54	3.30	-63.97
O=C(CCCCC1CC[NH2+]CC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020252019	0	54	0.0	-72.34	386.69	6.58	-65.76
O=C(CCCCC1CC[NH2+]CC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020252019	1	54	0.0	-72.26	386.74	6.59	-65.67
[NH3+]CC1=CN2C=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)N=C2C=C1	REAL300020252020	0	45	0.0	-94.44	346.97	4.77	-89.67
[NH3+]CC1=CN2C=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)N=C2C=C1	REAL300020252020	1	45	0.0	-94.40	346.92	4.74	-89.66
O=C(C1CNC2=CC=CC=C21)N1CCCCC1CC1=N[N-]N=N1	REAL300020252021	0	42	-1.0	-49.52	320.04	4.07	-45.45
O=C(C1CNC2=CC=CC=C21)N1CCCCC1CC1=NN=N[N-]1	REAL300020252021	1	42	-1.0	-49.52	320.11	4.08	-45.44
O=C(C1=CC=C2CC[NH2+]CC2=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020252022	0	45	0.0	-85.06	334.50	4.44	-80.62
O=C(C1=CC=C2CC[NH2+]CC2=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020252022	1	45	0.0	-85.04	334.55	4.45	-80.59
O=C(C1=CC=C2CCNCC2=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020252022	1	44	-1.0	-49.65	331.08	3.07	-46.58
O=C(C1=CC=C2CCNCC2=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020252022	1	44	-1.0	-49.68	331.14	3.08	-46.60
[NH3+]CCN1CCCC(C(=O)N2CCCCC2CC2=N[N-]N=N2)C1=O	REAL300020252023	0	49	0.0	-78.49	356.00	2.02	-76.47
[NH3+]CCN1CCCC(C(=O)N2CCCCC2CC2=NN=N[N-]2)C1=O	REAL300020252023	1	49	0.0	-78.50	356.05	2.03	-76.47
CCCCCCCCC([NH3+])C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252024	0	56	0.0	-61.28	406.38	6.11	-55.17
CCCCCCCCC([NH3+])C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252024	1	56	0.0	-61.24	406.43	6.12	-55.12
CC1[NH2+]CCN2C(C(=O)N3CCCCC3CC3=N[N-]N=N3)=CC=C12	REAL300020252025	0	47	0.0	-53.03	345.14	4.99	-48.04
CC1[NH2+]CCN2C(C(=O)N3CCCCC3CC3=NN=N[N-]3)=CC=C12	REAL300020252025	1	47	0.0	-53.01	345.17	5.01	-48.00
O=C(C1=CC=C2CCNC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020252026	0	42	-1.0	-50.89	320.13	4.56	-46.33
O=C(C1=CC=C2CCNC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020252026	1	42	-1.0	-50.89	320.16	4.56	-46.33
O=C(CC1CNC2=CC=CC=C21)N1CCCCC1CC1=N[N-]N=N1	REAL300020252027	0	45	-1.0	-45.71	344.74	5.08	-40.63
O=C(CC1CNC2=CC=CC=C21)N1CCCCC1CC1=NN=N[N-]1	REAL300020252027	1	45	-1.0	-45.73	344.80	5.08	-40.65
CN1N=CC(N)=C1CCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252028	0	44	-1.0	-47.13	339.79	2.73	-44.40
CN1N=CC(N)=C1CCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252028	1	44	-1.0	-47.12	339.84	2.74	-44.38
[NH3+]C1CCC2=CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=CC=C2NC1=O	REAL300020252029	0	50	0.0	-80.94	372.55	2.87	-78.07
[NH3+]C1CCC2=CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=CC=C2NC1=O	REAL300020252029	1	50	0.0	-80.93	372.58	2.87	-78.06
[NH3+]CCCC1=CC=C(OCC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020252030	0	52	0.0	-89.49	396.02	5.70	-83.79
[NH3+]CCCC1=CC=C(OCC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020252030	1	52	0.0	-89.53	396.07	5.72	-83.81
O=C(CC1CNCCS1(=O)=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252031	0	44	-1.0	-57.51	334.73	0.10	-57.41
O=C(CC1CNCCS1(=O)=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252031	1	44	-1.0	-57.55	334.78	0.11	-57.44
[NH3+][C@@H](CC(=O)N1CCCCC1CC1=N[N-]N=N1)CC1=CC=CC=C1	REAL300020252032	0	48	0.0	-48.78	356.53	5.59	-43.19
[NH3+][C@@H](CC(=O)N1CCCCC1CC1=NN=N[N-]1)CC1=CC=CC=C1	REAL300020252032	1	48	0.0	-48.74	356.57	5.62	-43.12
[NH3+]C(CC(=O)N1CCCCC1CC1=N[N-]N=N1)C1CCOCC1	REAL300020252033	0	49	0.0	-41.20	341.43	2.80	-38.40
[NH3+]C(CC(=O)N1CCCCC1CC1=NN=N[N-]1)C1CCOCC1	REAL300020252033	1	49	0.0	-41.15	341.46	2.81	-38.34
[NH3+]C(CC(=O)N1CCCCC1CC1=N[N-]N=N1)C1CCCCC1	REAL300020252034	0	51	0.0	-45.01	353.16	5.08	-39.93
[NH3+]C(CC(=O)N1CCCCC1CC1=NN=N[N-]1)C1CCCCC1	REAL300020252034	1	51	0.0	-45.03	353.19	5.11	-39.92
[NH3+][C@@H](CC(=O)N1CCCCC1CC1=N[N-]N=N1)CC1CCCCC1	REAL300020252035	0	54	0.0	-47.12	377.71	5.77	-41.35
[NH3+][C@@H](CC(=O)N1CCCCC1CC1=NN=N[N-]1)CC1CCCCC1	REAL300020252035	1	54	0.0	-47.14	377.75	5.79	-41.35
[NH3+]C1CC2CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)CC12	REAL300020252036	0	46	0.0	-60.06	326.75	3.47	-56.59
[NH3+]C1CC2CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)CC12	REAL300020252036	1	46	0.0	-60.06	326.81	3.48	-56.58
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)N=C(C(C)[NH3+])S1	REAL300020252037	0	44	0.0	-82.65	339.56	2.78	-79.87
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)N=C(C(C)[NH3+])S1	REAL300020252037	1	44	0.0	-82.65	339.60	2.78	-79.87
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)N=C(C(C)N)S1	REAL300020252037	1	43	-1.0	-48.76	336.26	2.46	-46.30
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)N=C(C(C)N)S1	REAL300020252037	1	43	-1.0	-48.79	336.30	2.46	-46.33
[NH3+]C1CCC2(CC2C(=O)N2CCCCC2CC2=N[N-]N=N2)CC1	REAL300020252038	0	49	0.0	-60.75	348.84	4.39	-56.36
[NH3+]C1CCC2(CC2C(=O)N2CCCCC2CC2=NN=N[N-]2)CC1	REAL300020252038	1	49	0.0	-60.76	348.89	4.40	-56.36
[NH3+]C(CC1=NC=CS1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252039	0	41	0.0	-63.44	327.13	1.23	-62.21
[NH3+]C(CC1=NC=CS1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252039	1	41	0.0	-63.45	327.19	1.26	-62.19
NC(CC1=NC=CS1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252039	1	40	-1.0	-45.21	324.43	0.83	-44.38
NC(CC1=NC=CS1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252039	1	40	-1.0	-45.22	324.49	0.85	-44.37
O=C(C1=CSC(N2CC[NH2+]CC2)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020252040	0	47	0.0	-86.13	359.26	3.26	-82.87
O=C(C1=CSC(N2CC[NH2+]CC2)=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020252040	1	47	0.0	-86.17	359.21	3.25	-82.92
COC(=O)CC[C@H]([NH3+])CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252041	0	47	0.0	-71.11	358.20	2.87	-68.24
COC(=O)CC[C@H]([NH3+])CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252041	1	47	0.0	-71.13	358.27	2.88	-68.25
[NH3+]CC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020252042	0	39	0.0	-85.45	310.32	2.51	-82.94
[NH3+]CC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020252042	1	39	0.0	-85.48	310.37	2.53	-82.95
O=C(C1=CC=C2OCC[NH2+]CC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020252043	0	47	0.0	-70.82	349.42	4.28	-66.54
O=C(C1=CC=C2OCC[NH2+]CC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020252043	1	47	0.0	-70.81	349.45	4.29	-66.52
N#CC(C(=O)N1CCCCC1CC1=N[N-]N=N1)C1CC[NH2+]CC1	REAL300020252044	0	46	0.0	-70.94	336.49	4.14	-66.80
N#CC(C(=O)N1CCCCC1CC1=NN=N[N-]1)C1CC[NH2+]CC1	REAL300020252044	1	46	0.0	-70.99	336.55	4.15	-66.84
CC1CN2N=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2CN1	REAL300020252045	0	45	-1.0	-52.22	339.05	2.44	-49.78
CC1CN2N=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2CN1	REAL300020252045	1	45	-1.0	-52.22	339.11	2.46	-49.76
CC1CN2N=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2C[NH2+]1	REAL300020252045	1	46	0.0	-81.51	342.34	3.67	-77.84
CC1CN2N=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2C[NH2+]1	REAL300020252045	1	46	0.0	-81.52	342.39	3.69	-77.83
O=C(C1=CN=C(C2CCC[NH2+]2)N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020252046	0	47	0.0	-61.74	354.54	3.56	-58.18
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)N=C(CC[NH3+])S1	REAL300020252047	0	44	0.0	-84.19	341.43	2.87	-81.32
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)N=C(CC[NH3+])S1	REAL300020252047	1	44	0.0	-84.16	341.47	2.88	-81.28
CC[NH2+]CC1CCC(C(=O)N2CCCCC2CC2=N[N-]N=N2)CC1	REAL300020252048	0	54	0.0	-49.87	373.78	6.40	-43.47
CC[NH2+]CC1CCC(C(=O)N2CCCCC2CC2=NN=N[N-]2)CC1	REAL300020252048	1	54	0.0	-49.85	373.83	6.43	-43.42
NC1=CC2=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=NN2C=C1	REAL300020252049	0	41	-1.0	-59.19	326.10	3.05	-56.14
NC1=CC2=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=NN2C=C1	REAL300020252049	1	41	-1.0	-59.45	326.21	2.95	-56.50
O=C(C1CC[NH2+]C(C2CCCO2)C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020252050	0	53	0.0	-69.03	372.45	4.62	-64.41
O=C(C1CC[NH2+]C(C2CCCO2)C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020252050	1	53	0.0	-69.02	372.52	4.62	-64.40
O=C(CC1CCNC2=CC=CC=C21)N1CCCCC1CC1=N[N-]N=N1	REAL300020252051	0	48	-1.0	-46.92	350.88	6.28	-40.64
O=C(CC1CCNC2=CC=CC=C21)N1CCCCC1CC1=NN=N[N-]1	REAL300020252051	1	48	-1.0	-46.92	350.91	6.30	-40.62
O=C(C1=CC=C2C[NH2+]CCOC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020252052	0	47	0.0	-82.92	349.24	4.23	-78.69
O=C(C1=CC=C2C[NH2+]CCOC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020252052	1	47	0.0	-82.95	349.28	4.25	-78.70
O=C(N1CCCCC1CC1=N[N-]N=N1)C(F)(F)C1CC[NH2+]CC1	REAL300020252053	0	45	0.0	-57.70	325.65	4.40	-53.30
O=C(N1CCCCC1CC1=NN=N[N-]1)C(F)(F)C1CC[NH2+]CC1	REAL300020252053	1	45	0.0	-57.68	325.68	4.40	-53.28
CN1N=C(C[NH3+])C=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252054	0	42	0.0	-81.60	320.14	1.03	-80.57
CN1N=C(C[NH3+])C=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252054	1	42	0.0	-81.59	320.27	1.03	-80.56
CN1N=C(CN)C=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252054	1	41	-1.0	-48.46	316.69	0.63	-47.83
CN1N=C(CN)C=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252054	1	41	-1.0	-48.42	316.81	0.62	-47.80
[NH3+][C@@H](CC(=O)N1CCCCC1CC1=N[N-]N=N1)CC1=CC(F)=C(F)C=C1F	REAL300020252055	0	48	0.0	-45.86	367.59	6.05	-39.81
[NH3+][C@@H](CC(=O)N1CCCCC1CC1=NN=N[N-]1)CC1=CC(F)=C(F)C=C1F	REAL300020252055	1	48	0.0	-45.88	367.63	6.08	-39.80
[NH3+]CC1=NC(CC(=O)N2CCCCC2CC2=N[N-]N=N2)=CS1	REAL300020252056	0	41	0.0	-67.40	332.77	1.32	-66.08
[NH3+]CC1=NC(CC(=O)N2CCCCC2CC2=NN=N[N-]2)=CS1	REAL300020252056	1	41	0.0	-67.33	332.83	1.35	-65.98
NCC1=NC(CC(=O)N2CCCCC2CC2=N[N-]N=N2)=CS1	REAL300020252056	1	40	-1.0	-54.45	329.31	0.92	-53.53
NCC1=NC(CC(=O)N2CCCCC2CC2=NN=N[N-]2)=CS1	REAL300020252056	1	40	-1.0	-54.46	329.37	0.94	-53.52
NCC1=NC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020252057	0	37	-1.0	-47.64	301.26	0.10	-47.54
NCC1=NC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020252057	1	37	-1.0	-47.63	301.31	0.10	-47.53
[NH3+]CC1=NC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)S1	REAL300020252057	1	38	0.0	-86.15	305.35	0.80	-85.35
[NH3+]CC1=NC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)S1	REAL300020252057	1	38	0.0	-86.15	305.50	0.85	-85.30
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)N=C(CN)S1	REAL300020252058	0	40	-1.0	-48.96	316.46	1.72	-47.24
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)N=C(CN)S1	REAL300020252058	1	40	-1.0	-48.93	316.50	1.73	-47.20
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)N=C(C[NH3+])S1	REAL300020252058	1	41	0.0	-80.98	319.92	2.12	-78.86
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)N=C(C[NH3+])S1	REAL300020252058	1	41	0.0	-81.02	319.96	2.13	-78.89
O=C(C1=C2CNCCN2N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020252059	0	42	-1.0	-49.64	317.83	1.00	-48.64
O=C(C1=C2CNCCN2N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020252059	1	42	-1.0	-49.68	317.87	1.01	-48.67
O=C(C1=C2C[NH2+]CCN2N=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020252059	1	43	0.0	-72.88	320.78	2.35	-70.53
O=C(C1=C2C[NH2+]CCN2N=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020252059	1	43	0.0	-72.89	320.82	2.36	-70.53
[NH3+]CCC1(CC(=O)N2CCCCC2CC2=N[N-]N=N2)COCCO1	REAL300020252060	0	50	0.0	-75.87	349.26	2.09	-73.78
[NH3+]CCC1(CC(=O)N2CCCCC2CC2=NN=N[N-]2)COCCO1	REAL300020252060	1	50	0.0	-75.90	349.29	2.09	-73.81
[NH3+][C@@H](CCC1=CC=CC=C1)CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252061	0	51	0.0	-48.73	379.02	6.38	-42.35
[NH3+][C@@H](CCC1=CC=CC=C1)CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252061	1	51	0.0	-48.68	379.05	6.41	-42.27
[NH3+][C@H](CCC1=CC=CC=C1)CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252062	0	51	0.0	-49.15	378.85	6.38	-42.77
[NH3+][C@H](CCC1=CC=CC=C1)CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252062	1	51	0.0	-49.16	378.88	6.40	-42.76
COC(=O)C[C@H]([NH3+])CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252063	0	44	0.0	-69.34	335.89	2.11	-67.23
COC(=O)C[C@H]([NH3+])CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252063	1	44	0.0	-69.41	335.96	2.12	-67.29
[NH3+][C@@H]1C[C@@H]2CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)C[C@H]12	REAL300020252064	0	46	0.0	-66.60	325.91	3.26	-63.34
[NH3+][C@@H]1C[C@@H]2CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)C[C@H]12	REAL300020252064	1	46	0.0	-66.58	325.97	3.27	-63.31
[NH3+]CC(CC1CCCC1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252065	0	51	0.0	-66.11	356.56	4.48	-61.63
[NH3+]CC(CC1CCCC1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252065	1	51	0.0	-66.13	356.62	4.48	-61.65
[NH3+]CCCCSCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252066	0	45	0.0	-79.00	350.04	3.78	-75.22
[NH3+]CCCCSCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252066	1	45	0.0	-79.01	350.10	3.78	-75.23
[NH3+]C1CCS(=O)(=O)C2(CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)C2)C1	REAL300020252067	0	52	0.0	-87.79	386.28	1.24	-86.55
[NH3+]C1CCS(=O)(=O)C2(CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)C2)C1	REAL300020252067	1	52	0.0	-87.80	386.34	1.26	-86.54
[NH3+]C1CCC2(CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)C2)CC1	REAL300020252068	0	52	0.0	-86.63	368.20	4.86	-81.77
[NH3+]C1CCC2(CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)C2)CC1	REAL300020252068	1	52	0.0	-86.62	368.25	4.87	-81.75
[NH3+]C(CCSC(F)(F)F)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252069	0	42	0.0	-66.14	341.85	3.26	-62.88
[NH3+]C(CCSC(F)(F)F)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252069	1	42	0.0	-66.13	341.91	3.28	-62.85
CC1(C)C[NH2+]C(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020252070	0	48	0.0	-61.00	349.04	4.67	-56.33
CC1(C)C[NH2+]C(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020252070	1	48	0.0	-61.01	349.10	4.69	-56.32
[NH3+]CC1(C2=CC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=N2)CCC1	REAL300020252071	0	51	0.0	-68.56	378.32	4.06	-64.50
[NH3+]CC1(C2=CC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=N2)CCC1	REAL300020252071	1	51	0.0	-68.56	378.26	4.06	-64.50
NC(=N[N+](=O)[O-])NCCC[C@H]([NH3+])C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252072	0	50	0.0	-79.58	380.97	2.79	-76.79
NC(=N[N+](=O)[O-])NCCC[C@H]([NH3+])C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252072	1	50	0.0	-79.60	381.02	2.82	-76.78
CN1C(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1C1CCCC[NH2+]1	REAL300020252073	0	53	0.0	-60.72	383.45	6.33	-54.39
CN1C(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1C1CCCC[NH2+]1	REAL300020252073	1	53	0.0	-60.96	383.57	6.25	-54.71
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)SC(N2CC[NH2+]CC2)=N1	REAL300020252074	0	50	0.0	-81.40	382.21	3.26	-78.14
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)SC(N2CC[NH2+]CC2)=N1	REAL300020252074	1	50	0.0	-81.37	382.25	3.26	-78.11
O=C([C@@H]1CCC[NH2+]1)N1CCC(C(=O)N2CCCCC2CC2=NN=N[N-]2)CC1	REAL300020252075	0	56	0.0	-67.62	395.39	4.79	-62.83
[NH3+]C(CC1CCS(=O)(=O)C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252076	0	48	0.0	-100.95	356.00	-0.59	-101.54
[NH3+]C(CC1CCS(=O)(=O)C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252076	1	48	0.0	-100.98	356.06	-0.58	-101.56
O=C(CC[C@@H]1CCCC[NH2+]1)N1CCCCC1CC1=N[N-]N=N1	REAL300020252077	0	48	0.0	-70.95	343.98	5.32	-65.63
O=C(CC[C@@H]1CCCC[NH2+]1)N1CCCCC1CC1=NN=N[N-]1	REAL300020252077	1	48	0.0	-70.97	344.03	5.33	-65.64
[NH3+]CCC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020252078	0	45	0.0	-84.09	340.48	4.14	-79.95
[NH3+]CCC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020252078	1	45	0.0	-84.09	340.48	4.15	-79.94
COC(=O)CC[C@@H]([NH3+])C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252079	0	44	0.0	-80.91	337.35	1.81	-79.10
COC(=O)CC[C@@H]([NH3+])C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252079	1	44	0.0	-80.92	337.41	1.81	-79.11
O=C(C1=CC2=C(C[NH2+]CC2)S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020252080	0	43	0.0	-83.96	331.09	4.83	-79.13
O=C(C1=CC2=C(C[NH2+]CC2)S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020252080	1	43	0.0	-83.95	331.13	4.84	-79.11
O=C(C1=CC=CC2=C1C[NH2+]CCO2)N1CCCCC1CC1=N[N-]N=N1	REAL300020252081	0	47	0.0	-49.10	345.38	4.65	-44.45
O=C(C1=CC=CC2=C1C[NH2+]CCO2)N1CCCCC1CC1=NN=N[N-]1	REAL300020252081	1	47	0.0	-49.10	345.42	4.66	-44.44
[NH3+]C1(CCC(=O)N2CCCCC2CC2=N[N-]N=N2)CCCC1	REAL300020252082	0	48	0.0	-81.62	348.16	3.73	-77.89
[NH3+]C1(CCC(=O)N2CCCCC2CC2=NN=N[N-]2)CCCC1	REAL300020252082	1	48	0.0	-81.57	348.22	3.76	-77.81
O=C(CC1=CSC(C2CC[NH2+]CC2)=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020252083	0	51	0.0	-78.04	395.30	4.58	-73.46
O=C(CC1=CSC(C2CC[NH2+]CC2)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020252083	1	51	0.0	-78.02	395.36	4.60	-73.42
COC(=O)C[C@@H]([NH3+])CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252084	0	44	0.0	-59.55	331.30	2.51	-57.04
COC(=O)C[C@@H]([NH3+])CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252084	1	44	0.0	-59.58	331.35	2.53	-57.05
[NH3+]C(CC1=CC=CC=C1Cl)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252085	0	45	0.0	-62.82	349.69	4.17	-58.65
[NH3+]C(CC1=CC=CC=C1Cl)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252085	1	45	0.0	-62.79	349.75	4.17	-58.62
[NH3+]C(CC(=O)N1CCCCC1CC1=N[N-]N=N1)C1CCCCCC1	REAL300020252086	0	54	0.0	-65.47	370.50	4.96	-60.51
[NH3+]C(CC(=O)N1CCCCC1CC1=NN=N[N-]1)C1CCCCCC1	REAL300020252086	1	54	0.0	-65.46	370.57	4.99	-60.47
[NH3+]C1CCN2N=CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=C2C1	REAL300020252087	0	46	0.0	-80.01	341.51	2.00	-78.01
[NH3+]C1CCN2N=CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=C2C1	REAL300020252087	1	46	0.0	-79.99	341.55	2.00	-77.99
CC1(C)CC[NH2+]CC1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252088	0	48	0.0	-59.65	321.38	3.99	-55.66
CC1(C)CC[NH2+]CC1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252088	1	48	0.0	-59.60	321.42	3.99	-55.61
[NH3+]CC1=CN=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020252089	0	41	0.0	-77.13	315.78	1.56	-75.57
[NH3+]CC1=CN=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020252089	1	41	0.0	-77.12	315.75	1.55	-75.57
O=C(C1=COC([C@@H]2CCC[NH2+]2)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020252090	0	45	0.0	-69.09	340.78	2.25	-66.84
O=C(C1=COC([C@@H]2CCCN2)=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020252090	1	44	-1.0	-47.76	337.36	0.83	-46.93
O=C(C1=COC([C@@H]2CCCN2)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020252090	1	44	-1.0	-47.76	337.42	0.85	-46.91
[NH3+]C(CC(F)(F)F)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252091	0	38	0.0	-54.91	293.34	1.91	-53.00
[NH3+]C(CC(F)(F)F)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252091	1	38	0.0	-54.89	293.40	1.93	-52.96
NC1=CC=C2SC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=CC2=C1	REAL300020252092	0	41	-1.0	-52.75	331.40	4.85	-47.90
NC1=CC=C2SC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=CC2=C1	REAL300020252092	1	41	-1.0	-52.73	331.45	4.88	-47.85
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)SC(CN)=N1	REAL300020252093	0	40	-1.0	-48.62	319.53	1.04	-47.58
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)SC(CN)=N1	REAL300020252093	1	40	-1.0	-48.70	319.83	1.05	-47.65
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)SC(C[NH3+])=N1	REAL300020252093	1	41	0.0	-85.35	322.99	1.44	-83.91
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)SC(C[NH3+])=N1	REAL300020252093	1	41	0.0	-85.30	323.29	1.46	-83.84
[NH3+]CC(C(=O)N1CCCCC1CC1=N[N-]N=N1)C1CCOC1	REAL300020252094	0	46	0.0	-80.85	326.76	1.18	-79.67
[NH3+]CC(C(=O)N1CCCCC1CC1=NN=N[N-]1)C1CCOC1	REAL300020252094	1	46	0.0	-80.90	326.82	1.20	-79.70
O=C(CC[C@H]1CCCC[NH2+]1)N1CCCCC1CC1=N[N-]N=N1	REAL300020252095	0	48	0.0	-76.23	348.50	4.90	-71.33
O=C(CC[C@H]1CCCC[NH2+]1)N1CCCCC1CC1=NN=N[N-]1	REAL300020252095	1	48	0.0	-76.21	348.56	4.90	-71.31
O=C(C1=NN2CC3(CC[NH2+]CC3)OCC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020252096	0	54	0.0	-83.53	387.40	3.67	-79.86
O=C(C1=NN2CC3(CC[NH2+]CC3)OCC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020252096	1	54	0.0	-83.53	387.45	3.70	-79.83
O=C(C(F)C1CCC[NH2+]CC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020252097	0	48	0.0	-65.80	339.27	4.84	-60.96
O=C(C(F)C1CCC[NH2+]CC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020252097	1	48	0.0	-65.78	339.31	4.85	-60.93
[NH3+]CC(CC(=O)N1CCCCC1CC1=N[N-]N=N1)C1CCC1	REAL300020252098	0	48	0.0	-65.67	346.14	3.87	-61.80
[NH3+]CC(CC(=O)N1CCCCC1CC1=NN=N[N-]1)C1CCC1	REAL300020252098	1	48	0.0	-65.70	346.20	3.87	-61.83
O=C([C@@H]1C[NH2+]C[C@H]1C(F)F)N1CCCCC1CC1=N[N-]N=N1	REAL300020252099	0	42	0.0	-61.10	312.67	3.38	-57.72
O=C([C@@H]1C[NH2+]C[C@H]1C(F)F)N1CCCCC1CC1=NN=N[N-]1	REAL300020252099	1	42	0.0	-61.07	312.72	3.41	-57.66
O=C(C1=C2CNCCN2C(Br)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020252100	0	42	-1.0	-49.07	337.25	3.17	-45.90
O=C(C1=C2CNCCN2C(Br)=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020252100	1	42	-1.0	-49.08	337.19	3.15	-45.93
O=C(C1=C2C[NH2+]CCN2C(Br)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020252100	1	43	0.0	-67.08	340.26	4.52	-62.56
O=C(C1=C2C[NH2+]CCN2C(Br)=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020252100	1	43	0.0	-67.15	340.21	4.51	-62.64
O=C(C1=C2C[NH2+]CCN2C=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020252101	0	43	0.0	-67.88	318.51	4.85	-63.03
O=C(C1=C2C[NH2+]CCN2C=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020252101	1	43	0.0	-67.91	318.45	4.84	-63.07
O=C(C1=C2CNCCN2C=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020252101	1	42	-1.0	-53.52	315.81	3.43	-50.09
O=C(C1=C2CNCCN2C=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020252101	1	42	-1.0	-53.51	315.76	3.41	-50.10
[NH3+][C@H](CC(=O)N1CCCCC1CC1=N[N-]N=N1)CC1CCCCC1	REAL300020252102	0	54	0.0	-59.25	378.58	5.69	-53.56
[NH3+][C@H](CC(=O)N1CCCCC1CC1=NN=N[N-]1)CC1CCCCC1	REAL300020252102	1	54	0.0	-59.19	378.63	5.70	-53.49
O=C(C1=CC=C(C2CCC[NH2+]2)S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020252103	0	46	0.0	-79.67	352.77	5.65	-74.02
O=C(C1=CC=C(C2CCC[NH2+]2)S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020252103	1	46	0.0	-79.67	352.82	5.66	-74.01
[NH3+]C(CC1CCCCO1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252104	0	49	0.0	-64.99	354.27	2.67	-62.32
[NH3+]C(CC1CCCCO1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252104	1	49	0.0	-65.00	354.33	2.70	-62.30
[NH3+][C@H](CC1=CC=CC=N1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252105	0	44	0.0	-48.58	330.22	3.37	-45.21
[NH3+][C@H](CC1=CC=CC=N1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252105	1	44	0.0	-48.58	330.27	3.38	-45.20
CC1=CC=CN=C1CC([NH3+])C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252106	0	47	0.0	-62.12	348.85	2.66	-59.46
CC1=CC=CN=C1CC([NH3+])C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252106	1	47	0.0	-62.12	348.92	2.69	-59.43
[NH3+]C(CCC1=CC=NC=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252107	0	47	0.0	-81.09	358.16	3.03	-78.06
[NH3+]C(CCC1=CC=NC=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252107	1	47	0.0	-81.07	358.22	3.06	-78.01
O=C(C1C[NH2+]CC12CCC2)N1CCCCC1CC1=N[N-]N=N1	REAL300020252108	0	46	0.0	-68.15	317.37	4.15	-64.00
O=C(C1C[NH2+]CC12CCC2)N1CCCCC1CC1=NN=N[N-]1	REAL300020252108	1	46	0.0	-68.14	317.39	4.15	-63.99
[NH3+][C@@H]1COC[C@@H]1N1C=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020252109	0	47	0.0	-69.29	351.60	0.66	-68.63
[NH3+][C@@H]1COC[C@@H]1N1C=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020252109	1	47	0.0	-69.28	351.56	0.64	-68.64
O=C(C1=CSC(C2CCC[NH2+]C2)=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020252110	0	48	0.0	-83.73	365.33	4.70	-79.03
O=C(C1=CSC(C2CCC[NH2+]C2)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020252110	1	48	0.0	-83.72	365.39	4.71	-79.01
[NH3+]C1(CCC(=O)N2CCCCC2CC2=N[N-]N=N2)CCOCC1	REAL300020252111	0	49	0.0	-85.39	348.20	1.77	-83.62
[NH3+]C1(CCC(=O)N2CCCCC2CC2=NN=N[N-]2)CCOCC1	REAL300020252111	1	49	0.0	-85.41	348.26	1.78	-83.63
O=C(C1=CN(CCC2CCCC[NH2+]2)N=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020252112	0	54	0.0	-74.93	399.10	4.96	-69.97
O=C(C1=CN(CCC2CCCC[NH2+]2)N=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020252112	1	54	0.0	-74.92	399.05	4.94	-69.98
O=C([C@H]1C[NH2+]C[C@@H](C2=CC=CC=C2)C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020252113	0	52	0.0	-81.96	375.14	6.75	-75.21
O=C([C@H]1C[NH2+]C[C@@H](C2=CC=CC=C2)C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020252113	1	52	0.0	-81.97	375.20	6.76	-75.21
[NH3+][C@H]1CC[C@H](OCC(=O)N2CCCCC2CC2=N[N-]N=N2)CC1	REAL300020252114	0	49	0.0	-85.83	363.35	3.18	-82.65
[NH3+][C@H]1CC[C@H](OCC(=O)N2CCCCC2CC2=NN=N[N-]2)CC1	REAL300020252114	1	49	0.0	-85.83	363.41	3.19	-82.64
[NH3+][C@@H](CC1=CC=NC=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252115	0	44	0.0	-59.22	331.72	2.66	-56.56
[NH3+][C@@H](CC1=CC=NC=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252115	1	44	0.0	-59.18	331.77	2.68	-56.50
[NH3+]C(CC1CC=CCC1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252116	0	49	0.0	-57.28	351.20	4.55	-52.73
[NH3+]C(CC1CC=CCC1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252116	1	49	0.0	-57.33	351.25	4.56	-52.77
[NH3+]C1(CCC(=O)N2CCCCC2CC2=N[N-]N=N2)CCOC1	REAL300020252117	0	46	0.0	-82.55	339.29	1.14	-81.41
[NH3+]C1(CCC(=O)N2CCCCC2CC2=NN=N[N-]2)CCOC1	REAL300020252117	1	46	0.0	-82.55	339.36	1.15	-81.40
C[C@@]1(CCC(=O)N2CCCCC2CC2=N[N-]N=N2)CCC[NH2+]1	REAL300020252118	0	48	0.0	-67.79	347.42	4.41	-63.38
C[C@@]1(CCC(=O)N2CCCCC2CC2=NN=N[N-]2)CCC[NH2+]1	REAL300020252118	1	48	0.0	-67.80	347.48	4.44	-63.36
C[NH2+]C(CC1=CC=CC=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252119	0	48	0.0	-43.62	349.46	6.27	-37.35
C[NH2+]C(CC1=CC=CC=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252119	1	48	0.0	-43.58	349.50	6.27	-37.31
C[NH2+]C(CC1=CNC2=CC=CC=C12)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252120	0	52	0.0	-81.33	380.50	5.34	-75.99
C[NH2+]C(CC1=CNC2=CC=CC=C12)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252120	1	52	0.0	-81.38	380.56	5.35	-76.03
CC[NH2+]C(CC1=CC=CC=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252121	0	51	0.0	-50.40	371.17	6.75	-43.65
CC[NH2+]C(CC1=CC=CC=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252121	1	51	0.0	-50.38	371.23	6.75	-43.63
[NH3+][C@@H](CC1CCCCC1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252122	0	51	0.0	-54.14	358.46	4.64	-49.50
[NH3+][C@@H](CC1CCCCC1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252122	1	51	0.0	-54.17	358.51	4.64	-49.53
[NH3+]C(CCC1=CC=CC=N1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252123	0	47	0.0	-75.14	357.46	3.02	-72.12
[NH3+]C(CCC1=CC=CC=N1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252123	1	47	0.0	-75.07	357.53	3.04	-72.03
[NH3+]C(CN1C=NC=N1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252124	0	41	0.0	-66.66	315.61	2.99	-63.67
[NH3+]C(CN1C=NC=N1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252124	1	41	0.0	-66.59	315.55	2.98	-63.61
[NH3+][C@H](CCC1=CC=CC=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252125	0	48	0.0	-76.19	363.09	4.94	-71.25
[NH3+][C@H](CCC1=CC=CC=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252125	1	48	0.0	-76.21	363.16	4.96	-71.25
[NH3+][C@@H](CCC1=CC=CC=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252126	0	48	0.0	-58.85	359.67	5.26	-53.59
[NH3+][C@@H](CCC1=CC=CC=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252126	1	48	0.0	-58.87	359.72	5.27	-53.60
O=C(C1C[NH2+]CC2=CNN=C21)N1CCCCC1CC1=N[N-]N=N1	REAL300020252127	0	43	0.0	-64.39	312.97	2.32	-62.07
O=C(C1C[NH2+]CC2=CNN=C21)N1CCCCC1CC1=NN=N[N-]1	REAL300020252127	1	43	0.0	-64.40	313.02	2.34	-62.06
[NH3+]C1CC2CC1CC2C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252128	0	46	0.0	-92.27	324.08	3.30	-88.97
[NH3+]C1CC2CC1CC2C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252128	1	46	0.0	-92.21	324.14	3.32	-88.89
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)NC(C2CC[NH2+]CC2)=N1	REAL300020252129	0	52	0.0	-89.88	379.05	4.65	-85.23
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)NC(C2CC[NH2+]CC2)=N1	REAL300020252129	1	52	0.0	-89.87	379.13	4.66	-85.21
O=C(C1=NOC(CC2CCCC[NH2+]2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020252130	0	51	0.0	-61.66	376.74	5.98	-55.68
O=C(C1=NOC(CC2CCCC[NH2+]2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020252130	1	51	0.0	-61.68	376.79	6.00	-55.68
[NH3+]C(CC(=O)N1CCCCC1CC1=N[N-]N=N1)CC1CCCC1	REAL300020252131	0	51	0.0	-40.66	359.09	5.29	-35.37
[NH3+]C(CC(=O)N1CCCCC1CC1=NN=N[N-]1)CC1CCCC1	REAL300020252131	1	51	0.0	-40.61	359.12	5.30	-35.31
[NH3+]C(CC(=O)N1CCCCC1CC1=N[N-]N=N1)C1=CC=CC(F)=C1	REAL300020252132	0	45	0.0	-40.34	339.71	5.05	-35.29
[NH3+]C(CC(=O)N1CCCCC1CC1=NN=N[N-]1)C1=CC=CC(F)=C1	REAL300020252132	1	45	0.0	-40.30	339.75	5.05	-35.25
O=C([C@@H]1C[NH2+]C[C@H]1C1CC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020252133	0	46	0.0	-66.19	330.30	4.61	-61.58
O=C([C@@H]1C[NH2+]C[C@H]1C1CC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020252133	1	46	0.0	-66.18	330.35	4.61	-61.57
O=C([C@@H]1CC[C@@H](C2CCC2)[NH2+]C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020252134	0	52	0.0	-55.49	367.38	5.97	-49.52
O=C([C@@H]1CC[C@@H](C2CCC2)[NH2+]C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020252134	1	52	0.0	-55.51	367.44	6.00	-49.51
[NH3+]C[C@@H]1COC[C@H]1N1C=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)N=N1	REAL300020252135	0	49	0.0	-86.88	370.61	0.38	-86.50
[NH3+]C[C@@H]1COC[C@H]1N1C=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)N=N1	REAL300020252135	1	49	0.0	-86.85	370.56	0.38	-86.47
CCN1N=CC(N)=C1C=CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252136	0	45	-1.0	-49.17	350.88	3.39	-45.78
CCN1N=CC(N)=C1C=CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252136	1	45	-1.0	-49.17	350.93	3.39	-45.78
COC1C[NH2+]CCC1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252137	0	46	0.0	-71.18	331.58	2.71	-68.47
COC1C[NH2+]CCC1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252137	1	46	0.0	-71.16	331.62	2.72	-68.44
O=C(C1=C2C[NH2+]CCN2C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020252138	0	44	0.0	-69.41	321.84	4.32	-65.09
O=C(C1=C2C[NH2+]CCN2C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020252138	1	44	0.0	-69.39	321.89	4.32	-65.07
O=C(C1=C2CNCCN2C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020252138	1	43	-1.0	-52.88	322.55	2.92	-49.96
O=C(CC1CC2(CCC2)C[NH2+]1)N1CCCCC1CC1=N[N-]N=N1	REAL300020252139	0	49	0.0	-59.77	356.07	5.39	-54.38
O=C(CC1CC2(CCC2)C[NH2+]1)N1CCCCC1CC1=NN=N[N-]1	REAL300020252139	1	49	0.0	-59.81	356.13	5.41	-54.40
[NH3+]C(CC1=CC=CC(F)=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252140	0	45	0.0	-54.49	344.34	4.52	-49.97
[NH3+]C(CC1=CC=CC(F)=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252140	1	45	0.0	-54.43	344.39	4.53	-49.90
[NH3+][C@H](CC(=O)N1CCCCC1CC1=N[N-]N=N1)C1CCCCC1	REAL300020252141	0	51	0.0	-56.23	353.66	5.00	-51.23
[NH3+][C@H](CC(=O)N1CCCCC1CC1=NN=N[N-]1)C1CCCCC1	REAL300020252141	1	51	0.0	-56.24	353.72	5.01	-51.23
[NH3+]C1CCC(C(=O)N2CCCCC2CC2=N[N-]N=N2)C2=CC=CC=C21	REAL300020252142	0	49	0.0	-78.97	351.58	5.42	-73.55
[NH3+]C1CCC(C(=O)N2CCCCC2CC2=NN=N[N-]2)C2=CC=CC=C21	REAL300020252142	1	49	0.0	-78.94	351.63	5.42	-73.52
[NH3+][C@H]1CC[C@@H](CC(=O)N2CCCCC2CC2=N[N-]N=N2)CC1	REAL300020252143	0	48	0.0	-83.99	335.11	3.78	-80.21
[NH3+][C@H]1CC[C@@H](CC(=O)N2CCCCC2CC2=NN=N[N-]2)CC1	REAL300020252143	1	48	0.0	-83.99	335.15	3.79	-80.20
O=C(C[C@@H]1CC2(CC2)C[NH2+]1)N1CCCCC1CC1=N[N-]N=N1	REAL300020252144	0	46	0.0	-61.22	341.02	4.91	-56.31
O=C(C[C@@H]1CC2(CC2)C[NH2+]1)N1CCCCC1CC1=NN=N[N-]1	REAL300020252144	1	46	0.0	-61.24	341.08	4.92	-56.32
O=C(C1CCC(C2CCC2)[NH2+]C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020252145	0	52	0.0	-55.29	367.44	5.98	-49.31
O=C(C1CCC(C2CCC2)[NH2+]C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020252145	1	52	0.0	-55.33	367.50	5.99	-49.34
O=C(N1CCCCC1CC1=N[N-]N=N1)C(F)(F)C1CCC[NH2+]C1	REAL300020252146	0	45	0.0	-63.48	326.04	4.32	-59.16
O=C(N1CCCCC1CC1=NN=N[N-]1)C(F)(F)C1CCC[NH2+]C1	REAL300020252146	1	45	0.0	-63.49	326.08	4.33	-59.16
CC1=NC(N)=NC=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252147	0	39	-1.0	-41.30	306.41	3.88	-37.42
CC1=NC(N)=NC=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252147	1	39	-1.0	-41.29	306.46	3.88	-37.41
COC1=CC=C([C@H](C)[NH3+])C=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252148	0	49	0.0	-84.27	364.77	4.04	-80.23
COC1=CC=C([C@H](C)[NH3+])C=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252148	1	49	0.0	-84.27	364.74	4.07	-80.20
[NH3+]C(CC1CCOC1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252149	0	46	0.0	-61.78	330.45	1.40	-60.38
[NH3+]C(CC1CCOC1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252149	1	46	0.0	-61.82	330.50	1.42	-60.40
COC(=O)[C@@]1(N)C[C@H](C(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020252150	0	44	-1.0	-49.48	327.22	2.36	-47.12
COC(=O)[C@@]1(N)C[C@H](C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020252150	1	44	-1.0	-49.53	327.26	2.36	-47.17
COC(=O)[C@@]1([NH3+])C[C@H](C(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020252150	1	45	0.0	-72.99	339.41	2.45	-70.54
COC(=O)[C@@]1([NH3+])C[C@H](C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020252150	1	45	0.0	-72.99	339.46	2.46	-70.53
O=C(C1=CN(CC2C[NH2+]CCO2)N=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020252151	0	49	0.0	-80.19	370.06	1.94	-78.25
O=C(C1=CN(CC2C[NH2+]CCO2)N=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020252151	1	49	0.0	-80.20	370.00	1.94	-78.26
[NH3+]C1(CC(=O)N2CCCCC2CC2=N[N-]N=N2)CCSC1	REAL300020252152	0	43	0.0	-41.97	315.37	3.46	-38.51
[NH3+]C1(CC(=O)N2CCCCC2CC2=NN=N[N-]2)CCSC1	REAL300020252152	1	43	0.0	-41.96	315.40	3.47	-38.49
[NH3+]CC1=C(Cl)SC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020252153	0	39	0.0	-68.59	324.44	3.20	-65.39
[NH3+]CC1=C(Cl)SC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020252153	1	39	0.0	-68.65	324.49	3.22	-65.43
O=C(C1CCC2(CC[NH2+]C2)CC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020252154	0	52	0.0	-73.13	358.42	5.38	-67.75
O=C(C1CCC2(CC[NH2+]C2)CC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020252154	1	52	0.0	-73.14	358.45	5.39	-67.75
C=C(F)C1(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C[NH2+]C1	REAL300020252155	0	43	0.0	-80.29	324.78	3.35	-76.94
C=C(F)C1(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C[NH2+]C1	REAL300020252155	1	43	0.0	-80.27	324.84	3.36	-76.91
O=C(C1=CC=C2C[NH2+]CCC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020252156	0	46	0.0	-81.05	340.96	5.47	-75.58
O=C(C1=CC=C2C[NH2+]CCC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020252156	1	46	0.0	-81.04	340.99	5.48	-75.56
[NH3+][C@H](COCC1=CC=CC=C1)CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252157	0	52	0.0	-67.10	398.13	4.54	-62.56
[NH3+][C@H](COCC1=CC=CC=C1)CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252157	1	52	0.0	-67.14	398.20	4.56	-62.58
CC1(C)[NH2+]CCC1CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252158	0	48	0.0	-61.75	339.15	4.64	-57.11
CC1(C)[NH2+]CCC1CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252158	1	48	0.0	-61.74	339.20	4.66	-57.08
[NH3+][C@@H](COCC1=CC=CC=C1)CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252159	0	52	0.0	-67.34	398.95	4.41	-62.93
[NH3+][C@@H](COCC1=CC=CC=C1)CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252159	1	52	0.0	-67.40	399.02	4.42	-62.98
O=C(C1=NOC(CC2CC[NH2+]CC2)=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020252160	0	51	0.0	-77.54	378.13	5.70	-71.84
O=C(C1=NOC(CC2CC[NH2+]CC2)=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020252160	1	51	0.0	-77.52	378.18	5.73	-71.79
O=C(C[NH2+]CCC(F)(F)F)N1CCCCC1CC1=NN=N[N-]1	REAL300020252161	0	41	0.0	-56.47	324.07	4.06	-52.41
O=C(C1C[NH2+]CC2=C1C=CC=C2C(F)(F)F)N1CCCCC1CC1=N[N-]N=N1	REAL300020252162	0	49	0.0	-66.69	371.22	6.27	-60.42
O=C(C1C[NH2+]CC2=C1C=CC=C2C(F)(F)F)N1CCCCC1CC1=NN=N[N-]1	REAL300020252162	1	49	0.0	-66.67	371.27	6.28	-60.39
O=C(C1=NN(C2CC[NH2+]CC2)C=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020252163	0	49	0.0	-90.93	360.83	4.65	-86.28
O=C(C1=NN(C2CC[NH2+]CC2)C=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020252163	1	49	0.0	-90.90	360.78	4.65	-86.25
COC(=O)CC[C@@H]([NH3+])CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252164	0	47	0.0	-70.99	357.38	3.01	-67.98
COC(=O)CC[C@@H]([NH3+])CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252164	1	47	0.0	-70.97	357.45	3.02	-67.95
[NH3+][C@H](COCC1=CC=CC=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252165	0	49	0.0	-65.98	377.96	3.51	-62.47
N[C@H](COCC1=CC=CC=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252165	1	48	-1.0	-45.63	374.78	3.14	-42.49
N[C@H](COCC1=CC=CC=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252165	1	48	-1.0	-45.64	374.84	3.16	-42.48
[NH3+]C[C@H]1CC[C@H](C(=O)N2CCCCC2CC2=N[N-]N=N2)CC1	REAL300020252166	0	48	0.0	-86.86	337.29	3.62	-83.24
[NH3+]C[C@H]1CC[C@H](C(=O)N2CCCCC2CC2=NN=N[N-]2)CC1	REAL300020252166	1	48	0.0	-86.83	337.34	3.63	-83.20
[NH3+][C@@H](COCC1=CC=CC=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252167	0	49	0.0	-52.08	374.44	3.82	-48.26
N[C@@H](COCC1=CC=CC=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252167	1	48	-1.0	-45.71	375.74	3.03	-42.68
N[C@@H](COCC1=CC=CC=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252167	1	48	-1.0	-45.71	375.81	3.03	-42.68
O=C(C1=CC2=C(CCC[NH2+]C2)O1)N1CCCCC1CC1=N[N-]N=N1	REAL300020252168	0	46	0.0	-71.60	338.74	4.64	-66.96
O=C(C1=CC2=C(CCC[NH2+]C2)O1)N1CCCCC1CC1=NN=N[N-]1	REAL300020252168	1	46	0.0	-71.58	338.80	4.65	-66.93
[NH3+]C(CC1=CC=C(OC(F)F)C=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252169	0	49	0.0	-57.15	376.68	4.06	-53.09
[NH3+]C(CC1=CC=C(OC(F)F)C=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252169	1	49	0.0	-57.13	376.73	4.07	-53.06
[NH3+]C(CC1=CC=CS1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252170	0	42	0.0	-64.62	331.58	3.12	-61.50
[NH3+]C(CC1=CC=CS1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252170	1	42	0.0	-64.60	331.64	3.13	-61.47
NC(CC1=CC=CS1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252170	1	41	-1.0	-46.91	325.08	3.23	-43.68
[NH3+]CCCCCCCCCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252171	0	56	0.0	-77.78	413.01	6.29	-71.49
[NH3+]CCCCCCCCCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252171	1	56	0.0	-77.75	413.06	6.30	-71.45
O=C(C1=NOC2(CC[NH2+]C2)C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020252172	0	44	0.0	-70.03	326.82	2.56	-67.47
O=C(C1=NOC2(CC[NH2+]C2)C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020252172	1	44	0.0	-70.07	326.88	2.58	-67.49
O=C(C1=CC=C2NCCOC2=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020252173	0	43	-1.0	-52.44	331.06	3.62	-48.82
O=C(C1=CC=C2NCCOC2=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020252173	1	43	-1.0	-52.44	331.10	3.64	-48.80
O=C(CC1CCC2=CC=CC=C2N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020252174	0	48	-1.0	-50.27	358.71	6.67	-43.60
O=C(CC1CCC2=CC=CC=C2N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020252174	1	48	-1.0	-50.23	358.76	6.68	-43.55
[NH3+]CC1=CC=C(C2=CC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2)C=C1	REAL300020252175	0	52	0.0	-86.96	393.05	6.76	-80.20
[NH3+]CC1=CC=C(C2=CC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2)C=C1	REAL300020252175	1	52	0.0	-86.92	393.05	6.78	-80.14
O=C(CC1CC2(C[NH2+]1)CCOCC2)N1CCCCC1CC1=N[N-]N=N1	REAL300020252176	0	53	0.0	-64.48	377.32	3.85	-60.63
O=C(CC1CC2(C[NH2+]1)CCOCC2)N1CCCCC1CC1=NN=N[N-]1	REAL300020252176	1	53	0.0	-64.52	377.38	3.85	-60.67
O=C(CC1CC[NH2+]C2(CC2)C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020252177	0	49	0.0	-66.31	356.90	5.33	-60.98
O=C(CC1CC[NH2+]C2(CC2)C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020252177	1	49	0.0	-66.34	356.96	5.34	-61.00
NC1=CC=C2NC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=CC2=C1	REAL300020252178	0	42	-1.0	-53.78	329.81	3.40	-50.38
NC1=CC=C2NC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=CC2=C1	REAL300020252178	1	42	-1.0	-52.87	329.39	3.49	-49.38
[NH3+]CC1=CC=CC(C2=CC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2)=C1	REAL300020252179	0	52	0.0	-86.70	393.06	6.75	-79.95
[NH3+]CC1=CC=CC(C2=CC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2)=C1	REAL300020252179	1	52	0.0	-86.71	393.05	6.76	-79.95
[NH3+]CC1=CC=CC([C@@H]2C[C@H]2C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020252180	0	49	0.0	-69.88	371.35	5.83	-64.05
[NH3+]CC1=CC=CC([C@@H]2C[C@H]2C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020252180	1	49	0.0	-69.89	371.40	5.84	-64.05
[NH3+]CC1=CC=C([C@@H]2C[C@H]2C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020252181	0	49	0.0	-84.92	370.98	5.78	-79.14
[NH3+]CC1=CC=C([C@@H]2C[C@H]2C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020252181	1	49	0.0	-84.90	371.03	5.79	-79.11
[NH3+]CC1=CC=CC=C1C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020252182	0	52	0.0	-81.18	391.81	6.84	-74.34
[NH3+]CC1=CC=CC=C1C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020252182	1	52	0.0	-81.18	391.84	6.86	-74.32
O=C(C1CC2(C1)CCC[NH2+]2)N1CCCCC1CC1=N[N-]N=N1	REAL300020252183	0	46	0.0	-27.46	318.32	5.96	-21.50
O=C(C1CC2(C1)CCC[NH2+]2)N1CCCCC1CC1=NN=N[N-]1	REAL300020252183	1	46	0.0	-27.42	318.33	5.98	-21.44
[NH3+][C@@H](CCSC(F)(F)F)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252184	0	42	0.0	-60.03	342.65	3.29	-56.74
[NH3+][C@@H](CCSC(F)(F)F)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252184	1	42	0.0	-60.01	342.70	3.30	-56.71
[NH3+]CC1=CC=CC=C1CCC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252185	0	48	0.0	-73.27	355.89	5.13	-68.14
[NH3+]CC1=CC=CC=C1CCC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252185	1	48	0.0	-73.25	355.95	5.13	-68.12
O=C(C1CNCCS(=O)(=O)C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020252186	0	44	-1.0	-58.75	326.95	-0.84	-59.59
O=C(C1CNCCS(=O)(=O)C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020252186	1	44	-1.0	-58.80	327.00	-0.84	-59.64
[NH3+]CC1=CC=C(C2=CC=CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=C2)C=C1	REAL300020252187	0	52	0.0	-86.33	395.11	6.83	-79.50
[NH3+]CC1=CC=C(C2=CC=CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=C2)C=C1	REAL300020252187	1	52	0.0	-86.32	395.14	6.84	-79.48
[NH3+]C(CC1=CC=CC(Br)=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252188	0	45	0.0	-53.61	359.22	5.08	-48.53
[NH3+]C(CC1=CC=CC(Br)=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252188	1	45	0.0	-53.65	359.28	5.08	-48.57
[NH3+]CC1=CC=C(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020252189	0	45	0.0	-72.65	343.64	4.49	-68.16
[NH3+]CC1=CC=C(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020252189	1	45	0.0	-72.62	343.70	4.50	-68.12
O=C(C[C@@H]1CC2=CC=CC=C2C[NH2+]1)N1CCCCC1CC1=N[N-]N=N1	REAL300020252190	0	49	0.0	-54.84	359.90	6.77	-48.07
O=C(C[C@@H]1CC2=CC=CC=C2C[NH2+]1)N1CCCCC1CC1=NN=N[N-]1	REAL300020252190	1	49	0.0	-54.89	359.95	6.79	-48.10
CN1C=C(CC([NH3+])C(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020252191	0	45	0.0	-59.75	340.12	2.17	-57.58
CN1C=C(CC([NH3+])C(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020252191	1	45	0.0	-59.74	340.06	2.17	-57.57
CC1(C)C[NH2+]CC(CC(=O)N2CCCCC2CC2=N[N-]N=N2)O1	REAL300020252192	0	49	0.0	-72.88	350.80	4.05	-68.83
CC1(C)C[NH2+]CC(CC(=O)N2CCCCC2CC2=NN=N[N-]2)O1	REAL300020252192	1	49	0.0	-72.87	350.86	4.05	-68.82
CC1(C)[NH2+]CCC1C(F)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252193	0	48	0.0	-64.31	340.07	4.60	-59.71
CC1(C)[NH2+]CCC1C(F)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252193	1	48	0.0	-64.28	340.12	4.61	-59.67
O=C(N1CCCCC1CC1=N[N-]N=N1)C1(F)C[NH2+]CC12CCC2	REAL300020252194	0	46	0.0	-61.37	321.54	4.40	-56.97
O=C(N1CCCCC1CC1=NN=N[N-]1)C1(F)C[NH2+]CC12CCC2	REAL300020252194	1	46	0.0	-61.39	321.58	4.42	-56.97
CC1(C)CC(C([NH3+])C(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020252195	0	48	0.0	-53.28	345.10	3.56	-49.72
CC1(C)CC(C([NH3+])C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020252195	1	48	0.0	-53.13	345.11	3.55	-49.58
[NH3+]C(C(=O)N1CCCCC1CC1=N[N-]N=N1)C1CC2(CCC2)C1	REAL300020252196	0	49	0.0	-54.17	347.37	4.30	-49.87
[NH3+]C(C(=O)N1CCCCC1CC1=NN=N[N-]1)C1CC2(CCC2)C1	REAL300020252196	1	49	0.0	-54.12	347.42	4.32	-49.80
[NH3+]CC1CC2CC1CC2C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252197	0	49	0.0	-61.11	330.99	3.76	-57.35
[NH3+]CC1CC2CC1CC2C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252197	1	49	0.0	-61.16	331.04	3.77	-57.39
[NH3+]CC1=CC2=CC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2C=C1	REAL300020252198	0	48	0.0	-89.25	369.30	5.83	-83.42
[NH3+]CC1=CC2=CC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2C=C1	REAL300020252198	1	48	0.0	-89.28	369.34	5.85	-83.43
O=C(C1CCNC2C1C2(F)F)N1CCCCC1CC1=N[N-]N=N1	REAL300020252199	0	42	-1.0	-41.86	313.31	3.00	-38.86
O=C(C1CCNC2C1C2(F)F)N1CCCCC1CC1=NN=N[N-]1	REAL300020252199	1	42	-1.0	-41.84	313.32	3.01	-38.83
CC(C)OCCC([NH3+])C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252200	0	48	0.0	-63.89	353.19	2.22	-61.67
CC(C)OCCC([NH3+])C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252200	1	48	0.0	-63.91	353.24	2.24	-61.67
[NH3+]C(CC1CCOCC1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252201	0	49	0.0	-60.92	342.19	1.64	-59.28
[NH3+]C(CC1CCOCC1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252201	1	49	0.0	-60.87	342.30	1.66	-59.21
NC1(CC(=O)N2CCCCC2CC2=N[N-]N=N2)CS(=O)(=O)C1	REAL300020252202	0	41	-1.0	-54.09	324.51	-1.90	-55.99
NC1(CC(=O)N2CCCCC2CC2=NN=N[N-]2)CS(=O)(=O)C1	REAL300020252202	1	41	-1.0	-54.08	324.57	-1.89	-55.97
[NH3+]C1(CC(=O)N2CCCCC2CC2=N[N-]N=N2)CS(=O)(=O)C1	REAL300020252202	1	42	0.0	-41.12	314.35	-1.03	-42.15
[NH3+]C1(CC(=O)N2CCCCC2CC2=NN=N[N-]2)CS(=O)(=O)C1	REAL300020252202	1	42	0.0	-41.10	314.37	-1.02	-42.12
O=C(CC1COC2(C1)CC[NH2+]CC2)N1CCCCC1CC1=N[N-]N=N1	REAL300020252203	0	53	0.0	-74.93	381.06	4.32	-70.61
O=C(CC1COC2(C1)CC[NH2+]CC2)N1CCCCC1CC1=NN=N[N-]1	REAL300020252203	1	53	0.0	-74.86	381.12	4.33	-70.53
O=C(CC1C[NH2+]C2CCCCC12)N1CCCCC1CC1=N[N-]N=N1	REAL300020252204	0	52	0.0	-60.78	367.55	5.84	-54.94
O=C(CC1C[NH2+]C2CCCCC12)N1CCCCC1CC1=NN=N[N-]1	REAL300020252204	1	52	0.0	-60.84	367.60	5.84	-55.00
O=C(C1=CN(C[C@@H]2CCC[NH2+]2)N=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020252205	0	48	0.0	-66.72	359.95	3.70	-63.02
O=C(C1=CN(C[C@@H]2CCC[NH2+]2)N=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020252205	1	48	0.0	-66.72	359.90	3.69	-63.03
COC1=CC=C(C[NH3+])C=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252206	0	46	0.0	-89.57	347.14	3.29	-86.28
COC1=CC=C(C[NH3+])C=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252206	1	46	0.0	-89.53	347.11	3.31	-86.22
O=C(C1CNCC(F)(F)C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020252207	0	41	-1.0	-48.39	307.35	2.27	-46.12
O=C(C1CNCC(F)(F)C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020252207	1	41	-1.0	-48.44	307.40	2.28	-46.16
[NH3+]C1CCCC2=CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=CC=C21	REAL300020252208	0	49	0.0	-82.18	358.02	5.19	-76.99
[NH3+]C1CCCC2=CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=CC=C21	REAL300020252208	1	49	0.0	-82.23	358.06	5.18	-77.05
CO[C@@]1(C[NH3+])C[C@@H](C(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020252209	0	46	0.0	-86.79	335.48	1.58	-85.21
CO[C@@]1(C[NH3+])C[C@@H](C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020252209	1	46	0.0	-86.75	335.53	1.59	-85.16
O=C(C1C[NH2+]CC12CCCC2)N1CCCCC1CC1=N[N-]N=N1	REAL300020252210	0	49	0.0	-69.04	338.67	5.06	-63.98
O=C(C1C[NH2+]CC12CCCC2)N1CCCCC1CC1=NN=N[N-]1	REAL300020252210	1	49	0.0	-69.03	338.72	5.06	-63.97
CN1N=CC=C1C(N)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252211	0	41	-1.0	-43.26	309.23	0.86	-42.40
CN1N=CC=C1C(N)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252211	1	41	-1.0	-43.30	309.27	0.88	-42.42
CN1N=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C2=C1CC[NH2+]C2	REAL300020252212	0	46	0.0	-64.87	339.91	3.80	-61.07
CN1N=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C2=C1CC[NH2+]C2	REAL300020252212	1	46	0.0	-64.88	339.96	3.81	-61.07
[NH3+]CC1=CC=CC(OCC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020252213	0	46	0.0	-76.19	352.83	4.09	-72.10
[NH3+]CC1=CC=CC(OCC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020252213	1	46	0.0	-76.16	352.88	4.10	-72.06
O=C(C(F)C1CC[NH2+]CC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020252214	0	45	0.0	-73.71	325.60	4.25	-69.46
O=C(C(F)C1CC[NH2+]CC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020252214	1	45	0.0	-73.68	325.66	4.26	-69.42
[NH3+]CC1=CC=CC2=CC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C21	REAL300020252215	0	48	0.0	-77.49	362.18	5.57	-71.92
[NH3+]CC1=CC=CC2=CC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C21	REAL300020252215	1	48	0.0	-77.42	362.21	5.58	-71.84
[NH3+]C(CC1=CC=C(Cl)N=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252216	0	44	0.0	-61.63	348.59	3.02	-58.61
[NH3+]C(CC1=CC=C(Cl)N=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252216	1	44	0.0	-61.62	348.54	3.01	-58.61
[NH3+]CC1=CC=CC(C2=CC=CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=C2)=C1	REAL300020252217	0	52	0.0	-91.72	397.28	6.99	-84.73
[NH3+]CC1=CC=CC(C2=CC=CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=C2)=C1	REAL300020252217	1	52	0.0	-91.72	397.32	7.01	-84.71
[NH3+]C1CCCC(C(=O)N2CCCCC2CC2=N[N-]N=N2)CC1	REAL300020252218	0	48	0.0	-75.76	331.63	3.45	-72.31
[NH3+]C1CCCC(C(=O)N2CCCCC2CC2=NN=N[N-]2)CC1	REAL300020252218	1	48	0.0	-75.75	331.68	3.47	-72.28
[NH3+]C1CCCN(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C1=O	REAL300020252219	0	46	0.0	-76.42	346.31	1.60	-74.82
[NH3+]C1CCCN(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C1=O	REAL300020252219	1	46	0.0	-76.42	346.37	1.62	-74.80
O=C(C1=CC2=C(CCC[NH2+]C2)S1)N1CCCCC1CC1=N[N-]N=N1	REAL300020252220	0	46	0.0	-71.74	348.27	5.48	-66.26
O=C(C1=CC2=C(CCC[NH2+]C2)S1)N1CCCCC1CC1=NN=N[N-]1	REAL300020252220	1	46	0.0	-71.78	348.32	5.49	-66.29
[NH3+]C1CCC(C(=O)N2CCCCC2CC2=N[N-]N=N2)CCC1(F)F	REAL300020252221	0	48	0.0	-80.15	337.70	3.16	-76.99
[NH3+]C1CCC(C(=O)N2CCCCC2CC2=NN=N[N-]2)CCC1(F)F	REAL300020252221	1	48	0.0	-80.19	337.77	3.17	-77.02
NC1CCC(C(=O)N2CCCCC2CC2=N[N-]N=N2)CCC1(F)F	REAL300020252221	1	47	-1.0	-46.63	334.31	2.85	-43.78
NC1CCC(C(=O)N2CCCCC2CC2=NN=N[N-]2)CCC1(F)F	REAL300020252221	1	47	-1.0	-46.61	334.38	2.86	-43.75
CC(C)(C)[C@@H]1C[NH2+]C[C@H](C(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020252222	0	54	0.0	-82.48	367.06	5.16	-77.32
CC(C)(C)[C@@H]1C[NH2+]C[C@H](C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020252222	1	54	0.0	-82.50	367.12	5.17	-77.33
O=C(C1CCNC2=CC=CC=C21)N1CCCCC1CC1=N[N-]N=N1	REAL300020252223	0	45	-1.0	-50.00	334.70	5.37	-44.63
O=C(C1CCNC2=CC=CC=C21)N1CCCCC1CC1=NN=N[N-]1	REAL300020252223	1	45	-1.0	-49.95	334.76	5.38	-44.57
[NH3+]CC(C(=O)N1CCCCC1CC1=N[N-]N=N1)C1=CC=CC=C1Cl	REAL300020252224	0	45	0.0	-57.08	343.28	4.98	-52.10
[NH3+]CC(C(=O)N1CCCCC1CC1=NN=N[N-]1)C1=CC=CC=C1Cl	REAL300020252224	1	45	0.0	-57.04	343.33	4.99	-52.05
[NH3+]C1CCCC2=CC=C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C=C2C1	REAL300020252225	0	52	0.0	-82.96	376.76	5.61	-77.35
[NH3+]C1CCCC2=CC=C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C=C2C1	REAL300020252225	1	52	0.0	-82.98	376.79	5.61	-77.37
NC1=CN=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C(Cl)=C1	REAL300020252226	0	37	-1.0	-51.93	300.66	2.84	-49.09
NC1=CN=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C(Cl)=C1	REAL300020252226	1	37	-1.0	-51.92	300.60	2.84	-49.08
[NH3+]C(CC(=O)N1CCCCC1CC1=N[N-]N=N1)C1=CC=C(F)C=C1F	REAL300020252227	0	45	0.0	-71.70	352.49	4.46	-67.24
[NH3+]C(CC(=O)N1CCCCC1CC1=NN=N[N-]1)C1=CC=C(F)C=C1F	REAL300020252227	1	45	0.0	-71.70	352.55	4.48	-67.22
[NH3+]CC1=CC=NC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020252228	0	41	0.0	-77.89	314.22	2.45	-75.44
[NH3+]CC1=CC=NC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020252228	1	41	0.0	-77.87	314.27	2.46	-75.41
[NH3+][C@@H](CC1=CC=C(Br)C=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252229	0	45	0.0	-71.33	363.31	4.67	-66.66
[NH3+][C@@H](CC1=CC=C(Br)C=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252229	1	45	0.0	-71.38	363.38	4.67	-66.71
O=C(C1=CC=CC2=C1C[NH2+]CC2)N1CCCCC1CC1=N[N-]N=N1	REAL300020252230	0	46	0.0	-44.43	328.15	5.30	-39.13
O=C(C1=CC=CC2=C1C[NH2+]CC2)N1CCCCC1CC1=NN=N[N-]1	REAL300020252230	1	46	0.0	-44.45	328.19	5.30	-39.15
CC1=CC=CC(C(C[NH3+])C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020252231	0	48	0.0	-68.16	355.20	4.83	-63.33
CC1=CC=CC(C(C[NH3+])C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020252231	1	48	0.0	-68.14	355.23	4.85	-63.29
[NH3+]C(CCOCC(F)(F)F)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252232	0	45	0.0	-70.73	352.49	1.93	-68.80
[NH3+]C(CCOCC(F)(F)F)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252232	1	45	0.0	-70.71	352.54	1.94	-68.77
O=C(C1=NNC2=C1CC[NH2+]C2)N1CCCCC1CC1=N[N-]N=N1	REAL300020252233	0	43	0.0	-75.49	318.71	2.46	-73.03
O=C(C1=NNC2=C1CC[NH2+]C2)N1CCCCC1CC1=NN=N[N-]1	REAL300020252233	1	43	0.0	-75.49	318.77	2.47	-73.02
O=C(C1=COC(C2CC[NH2+]CC2)=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020252234	0	48	0.0	-81.90	358.57	2.92	-78.98
O=C(C1=COC(C2CC[NH2+]CC2)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020252234	1	48	0.0	-81.94	358.62	2.94	-79.00
C[C@@H]1C[NH2+]C[C@H]1N1C=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)N=N1	REAL300020252235	0	48	0.0	-77.56	359.24	3.00	-74.56
C[C@@H]1C[NH2+]C[C@H]1N1C=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)N=N1	REAL300020252235	1	48	0.0	-77.53	359.19	2.99	-74.54
[NH3+]C1CCOC(CC(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020252236	0	46	0.0	-83.16	336.43	2.40	-80.76
[NH3+]C1CCOC(CC(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020252236	1	46	0.0	-83.14	336.49	2.41	-80.73
[NH3+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252237	0	46	0.0	-53.01	312.22	3.79	-49.22
[NH3+][C@@H]1C[C@H]2C[C@@H]1C[C@H]2C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252237	1	46	0.0	-53.05	312.27	3.80	-49.25
[NH3+]C1CC2(C1)CCC(C(=O)N1CCCCC1CC1=N[N-]N=N1)CC2	REAL300020252238	0	52	0.0	-76.47	366.04	4.74	-71.73
[NH3+]C1CC2(C1)CCC(C(=O)N1CCCCC1CC1=NN=N[N-]1)CC2	REAL300020252238	1	52	0.0	-76.46	366.09	4.76	-71.70
O=C(CC1CCC2(CC[NH2+]CC2)CC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020252239	0	58	0.0	-72.44	386.54	6.93	-65.51
O=C(CC1CCC2(CC[NH2+]CC2)CC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020252239	1	58	0.0	-72.42	386.58	6.93	-65.49
O=C(C1CC2(C1)CC[NH2+]CC2)N1CCCCC1CC1=N[N-]N=N1	REAL300020252240	0	49	0.0	-75.13	347.59	5.27	-69.86
O=C(C1CC2(C1)CC[NH2+]CC2)N1CCCCC1CC1=NN=N[N-]1	REAL300020252240	1	49	0.0	-75.15	347.64	5.28	-69.87
O=C(C1C[NH2+]CC2=CC=NN2C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020252241	0	46	0.0	-62.74	334.14	2.99	-59.75
O=C(C1C[NH2+]CC2=CC=NN2C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020252241	1	46	0.0	-62.71	334.19	2.99	-59.72
O=C(C1=CSC(CC2CC[NH2+]C2)=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020252242	0	48	0.0	-81.28	369.54	4.80	-76.48
O=C(C1=CSC(CC2CC[NH2+]C2)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020252242	1	48	0.0	-81.24	369.60	4.82	-76.42
O=C(CC1C[NH2+]C2(CCC2)CO1)N1CCCCC1CC1=N[N-]N=N1	REAL300020252243	0	50	0.0	-71.17	360.04	4.50	-66.67
O=C(CC1C[NH2+]C2(CCC2)CO1)N1CCCCC1CC1=NN=N[N-]1	REAL300020252243	1	50	0.0	-71.19	360.10	4.53	-66.66
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)SC(C(C)[NH3+])=N1	REAL300020252244	0	44	0.0	-78.78	344.82	1.95	-76.83
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)SC(C(C)[NH3+])=N1	REAL300020252244	1	44	0.0	-78.79	344.87	1.96	-76.83
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)SC(C(C)N)=N1	REAL300020252244	1	43	-1.0	-48.58	345.48	1.60	-46.98
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)SC(C(C)N)=N1	REAL300020252244	1	43	-1.0	-48.61	345.50	1.60	-47.01
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)SC(CC2CC[NH2+]CC2)=N1	REAL300020252245	0	54	0.0	-78.58	408.98	5.59	-72.99
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)SC(CC2CC[NH2+]CC2)=N1	REAL300020252245	1	54	0.0	-78.19	408.95	5.58	-72.61
O=C(C1=CSC(CC2CC[NH2+]CC2)=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020252246	0	51	0.0	-77.52	384.73	5.41	-72.11
O=C(C1=CSC(CC2CC[NH2+]CC2)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020252246	1	51	0.0	-77.52	384.78	5.41	-72.11
O=C(C1CC2(C1)CCC[NH2+]C2)N1CCCCC1CC1=N[N-]N=N1	REAL300020252247	0	49	0.0	-81.43	347.73	5.32	-76.11
O=C(C1CC2(C1)CCC[NH2+]C2)N1CCCCC1CC1=NN=N[N-]1	REAL300020252247	1	49	0.0	-81.43	347.78	5.34	-76.09
O=C(C1CC1C1CCC[NH2+]C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020252248	0	49	0.0	-69.54	355.24	5.66	-63.88
O=C(C1CC1C1CCC[NH2+]C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020252248	1	49	0.0	-69.53	355.29	5.66	-63.87
O=C(C[C@@H]1C[NH2+][C@@H]2COC[C@H]2O1)N1CCCCC1CC1=N[N-]N=N1	REAL300020252249	0	48	0.0	-78.81	344.26	1.83	-76.98
O=C(C[C@@H]1C[NH2+][C@@H]2COC[C@H]2O1)N1CCCCC1CC1=NN=N[N-]1	REAL300020252249	1	48	0.0	-78.82	344.31	1.84	-76.98
O=C(C[C@@H]1CN[C@@H]2COC[C@H]2O1)N1CCCCC1CC1=N[N-]N=N1	REAL300020252249	1	47	-1.0	-50.00	347.63	0.16	-49.84
O=C(C[C@@H]1CN[C@@H]2COC[C@H]2O1)N1CCCCC1CC1=NN=N[N-]1	REAL300020252249	1	47	-1.0	-50.00	347.70	0.18	-49.82
O=C(CC1CCC2C[NH2+]CCC2C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020252250	0	55	0.0	-74.01	383.22	6.67	-67.34
O=C(CC1CCC2C[NH2+]CCC2C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020252250	1	55	0.0	-74.00	383.28	6.69	-67.31
NC1=C(F)C=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1F	REAL300020252251	0	38	-1.0	-49.55	303.17	3.35	-46.20
NC1=C(F)C=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1F	REAL300020252251	1	38	-1.0	-49.51	303.13	3.36	-46.15
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)SC(C2CCC[NH2+]C2)=N1	REAL300020252252	0	51	0.0	-78.37	389.10	4.84	-73.53
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)SC(C2CCC[NH2+]C2)=N1	REAL300020252252	1	51	0.0	-78.41	389.14	4.85	-73.56
CC([NH3+])CN1C=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020252253	0	45	0.0	-71.12	343.03	1.92	-69.20
CC([NH3+])CN1C=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020252253	1	45	0.0	-71.14	342.99	1.90	-69.24
O=C(C1=CC=C(F)C2=C1CC[NH2+]C2)N1CCCCC1CC1=N[N-]N=N1	REAL300020252254	0	46	0.0	-66.87	340.21	5.37	-61.50
O=C(C1=CC=C(F)C2=C1CC[NH2+]C2)N1CCCCC1CC1=NN=N[N-]1	REAL300020252254	1	46	0.0	-66.83	340.22	5.37	-61.46
O=C(C1=CC=C(F)C2=C1CCNC2)N1CCCCC1CC1=N[N-]N=N1	REAL300020252254	1	45	-1.0	-47.86	330.51	3.99	-43.87
O=C(C1=CC=C(F)C2=C1CCNC2)N1CCCCC1CC1=NN=N[N-]1	REAL300020252254	1	45	-1.0	-47.83	330.54	4.01	-43.82
[NH3+]C(CC1=CN=CC(Br)=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252255	0	44	0.0	-58.76	353.03	3.20	-55.56
[NH3+]C(CC1=CN=CC(Br)=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252255	1	44	0.0	-58.75	352.98	3.19	-55.56
CC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC(C)=C1C[NH3+]	REAL300020252256	0	48	0.0	-84.59	356.14	4.63	-79.96
CC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC(C)=C1C[NH3+]	REAL300020252256	1	48	0.0	-84.64	356.18	4.63	-80.01
C[NH2+]CC1=C(C)C=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1C	REAL300020252257	0	51	0.0	-78.29	377.88	6.49	-71.80
C[NH2+]CC1=C(C)C=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1C	REAL300020252257	1	51	0.0	-78.28	377.92	6.51	-71.77
COC1C[NH2+]CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020252258	0	46	0.0	-49.24	325.04	2.39	-46.85
COC1C[NH2+]CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020252258	1	46	0.0	-49.31	325.08	2.41	-46.90
[NH3+]CC1CC(CC(=O)N2CCCCC2CC2=N[N-]N=N2)CO1	REAL300020252259	0	46	0.0	-75.34	337.58	1.82	-73.52
[NH3+]CC1CC(CC(=O)N2CCCCC2CC2=NN=N[N-]2)CO1	REAL300020252259	1	46	0.0	-75.30	337.63	1.82	-73.48
[NH3+]CC(CC1=CC=CC=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252260	0	48	0.0	-38.76	352.97	5.23	-33.53
[NH3+]CC(CC1=CC=CC=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252260	1	48	0.0	-38.75	353.01	5.25	-33.50
O=C(C1COC2(C1)CC[NH2+]CC2)N1CCCCC1CC1=N[N-]N=N1	REAL300020252261	0	50	0.0	-76.82	358.72	3.20	-73.62
O=C(C1COC2(C1)CC[NH2+]CC2)N1CCCCC1CC1=NN=N[N-]1	REAL300020252261	1	50	0.0	-76.85	358.78	3.20	-73.65
O=C(CC1CC[NH2+]CCC1(F)F)N1CCCCC1CC1=N[N-]N=N1	REAL300020252262	0	48	0.0	-66.32	336.16	4.96	-61.36
O=C(CC1CC[NH2+]CCC1(F)F)N1CCCCC1CC1=NN=N[N-]1	REAL300020252262	1	48	0.0	-67.19	335.71	5.00	-62.19
C[NH2+]CC1=CC=CC(OCC(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020252263	0	49	0.0	-70.96	374.57	5.97	-64.99
C[NH2+]CC1=CC=CC(OCC(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020252263	1	49	0.0	-70.94	374.62	5.97	-64.97
O=C([C@H]1C[C@H]2C[NH2+]C[C@H]2C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020252264	0	46	0.0	-69.98	324.92	4.32	-65.66
O=C([C@H]1C[C@H]2C[NH2+]C[C@H]2C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020252264	1	46	0.0	-69.97	324.97	4.32	-65.65
CC1(C)C(C[NH3+])CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)S1(=O)=O	REAL300020252265	0	51	0.0	-93.69	374.99	1.44	-92.25
CC1(C)C(C[NH3+])CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)S1(=O)=O	REAL300020252265	1	51	0.0	-93.62	375.04	1.44	-92.18
NC1=CC=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1F	REAL300020252267	0	38	-1.0	-53.67	297.69	3.27	-50.40
NC1=CC=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1F	REAL300020252267	1	38	-1.0	-53.69	297.65	3.28	-50.41
[NH3+]C(CCC(=O)OCC1=CC=CC=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252268	0	54	0.0	-73.57	414.62	6.22	-67.35
[NH3+]C(CCC(=O)OCC1=CC=CC=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252268	1	54	0.0	-73.52	414.67	6.23	-67.29
[NH3+]CC(CC1=CC=C(F)C=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252269	0	48	0.0	-50.27	356.30	5.10	-45.17
[NH3+]CC(CC1=CC=C(F)C=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252269	1	48	0.0	-50.30	356.35	5.10	-45.20
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)SC(CC[NH3+])=N1	REAL300020252270	0	44	0.0	-87.97	344.50	2.19	-85.78
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)SC(CC[NH3+])=N1	REAL300020252270	1	44	0.0	-87.96	344.81	2.21	-85.75
O=C(C1CC2(C1)CC[NH2+]C2)N1CCCCC1CC1=N[N-]N=N1	REAL300020252271	0	46	0.0	-77.63	332.40	4.62	-73.01
O=C(C1CC2(C1)CC[NH2+]C2)N1CCCCC1CC1=NN=N[N-]1	REAL300020252271	1	46	0.0	-77.61	332.45	4.63	-72.98
O=C(CC1C[NH2+]C2(C1)CCOCC2)N1CCCCC1CC1=N[N-]N=N1	REAL300020252272	0	53	0.0	-64.49	377.32	3.98	-60.51
O=C(CC1C[NH2+]C2(C1)CCOCC2)N1CCCCC1CC1=NN=N[N-]1	REAL300020252272	1	53	0.0	-64.50	377.39	3.98	-60.52
[NH3+]C1CCN(C2=CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)=CC=N2)CC1	REAL300020252273	0	53	0.0	-79.69	389.94	3.34	-76.35
[NH3+]C1CCN(C2=CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)=CC=N2)CC1	REAL300020252273	1	53	0.0	-79.65	389.91	3.34	-76.31
O=C(COCC1CC[NH2+]CC1)N1CCCCC1CC1=N[N-]N=N1	REAL300020252274	0	49	0.0	-75.37	364.14	4.26	-71.11
O=C(COCC1CC[NH2+]CC1)N1CCCCC1CC1=NN=N[N-]1	REAL300020252274	1	49	0.0	-75.31	364.20	4.27	-71.04
[NH3+]C(CC1=CC=C(Br)N=C1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252275	0	44	0.0	-61.53	353.19	3.10	-58.43
[NH3+]C(CC1=CC=C(Br)N=C1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252275	1	44	0.0	-61.55	353.12	3.08	-58.47
O=C(CCC1CC2=CC=CC=C2C[NH2+]1)N1CCCCC1CC1=N[N-]N=N1	REAL300020252276	0	52	0.0	-75.02	381.80	7.47	-67.55
O=C(CCC1CC2=CC=CC=C2C[NH2+]1)N1CCCCC1CC1=NN=N[N-]1	REAL300020252276	1	52	0.0	-75.02	381.85	7.48	-67.54
CC1=CC=C(CC(C[NH3+])C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020252277	0	51	0.0	-70.64	372.09	5.63	-65.01
CC1=CC=C(CC(C[NH3+])C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020252277	1	51	0.0	-70.61	372.15	5.64	-64.97
[NH3+]C(CC1=COC2=CC=CC=C12)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252278	0	48	0.0	-49.05	362.53	4.77	-44.28
[NH3+]C(CC1=COC2=CC=CC=C12)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252278	1	48	0.0	-49.06	362.51	4.76	-44.30
NC(CC1=COC2=CC=CC=C12)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252278	1	47	-1.0	-46.93	365.05	4.45	-42.48
CS(=O)(=O)CC[C@@H]([NH3+])C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252279	0	44	0.0	-90.48	345.52	-1.45	-91.93
CS(=O)(=O)CC[C@@H]([NH3+])C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252279	1	44	0.0	-90.51	345.59	-1.45	-91.96
CS(=O)(=O)CC[C@@H](N)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252279	1	43	-1.0	-59.66	338.63	-1.32	-60.98
CS(=O)(=O)CC[C@@H](N)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252279	1	43	-1.0	-59.74	338.69	-1.32	-61.06
[NH3+]CCC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=NO1	REAL300020252280	0	41	0.0	-81.65	317.03	2.28	-79.37
[NH3+]CCC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=NO1	REAL300020252280	1	41	0.0	-81.71	317.08	2.29	-79.42
O=C(CC12CCCCC1[NH2+]CCC2)N1CCCCC1CC1=N[N-]N=N1	REAL300020252281	0	55	0.0	-78.61	363.62	6.26	-72.35
O=C(CC12CCCCC1[NH2+]CCC2)N1CCCCC1CC1=NN=N[N-]1	REAL300020252281	1	55	0.0	-78.60	363.68	6.27	-72.33
[NH3+][C@H](CC(=O)N1CCCCC1CC1=NN=N[N-]1)C1=CC=CN=C1	REAL300020252282	0	44	0.0	-67.17	336.09	2.57	-64.60
[NH3+][C@H](CC(=O)N1CCCCC1CC1=N[N-]N=N1)C1=CC=CN=C1	REAL300020252282	1	44	0.0	-67.16	336.03	2.54	-64.62
CC1(C)C[NH2+]CCC1CC(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252283	0	51	0.0	-64.94	348.61	5.18	-59.76
CC1(C)C[NH2+]CCC1CC(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252283	1	51	0.0	-64.94	348.67	5.20	-59.74
[NH3+]CC12C3C4C1C1C2C3C41C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252284	0	46	0.0	-93.92	339.21	4.45	-89.47
[NH3+]CC12C3C4C1C1C2C3C41C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252284	1	46	0.0	-93.96	339.27	4.46	-89.50
O=C([C@H]1CO[C@H]2C[NH2+]C[C@H]21)N1CCCCC1CC1=N[N-]N=N1	REAL300020252285	0	44	0.0	-47.63	308.32	1.90	-45.73
O=C([C@H]1CO[C@H]2C[NH2+]C[C@H]21)N1CCCCC1CC1=NN=N[N-]1	REAL300020252285	1	44	0.0	-47.70	308.34	1.91	-45.79
O=C(C[C@@H]1CC2=CC=CC=C2N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020252286	0	45	-1.0	-49.67	336.95	6.10	-43.57
O=C(C[C@@H]1CC2=CC=CC=C2N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020252286	1	45	-1.0	-49.68	336.97	6.12	-43.56
NC1=C2C=CN(CC(=O)N3CCCCC3CC3=N[N-]N=N3)C2=CC=C1	REAL300020252287	0	45	-1.0	-53.34	355.71	5.35	-47.99
NC1=C2C=CN(CC(=O)N3CCCCC3CC3=NN=N[N-]3)C2=CC=C1	REAL300020252287	1	45	-1.0	-53.33	355.78	5.36	-47.97
COC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CC=C1C[NH3+]	REAL300020252288	0	46	0.0	-75.90	348.98	2.77	-73.13
COC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CC=C1C[NH3+]	REAL300020252288	1	46	0.0	-75.91	349.01	2.78	-73.13
CC1(C)C[NH2+]CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)O1	REAL300020252289	0	46	0.0	-80.64	326.56	3.24	-77.40
CC1(C)C[NH2+]CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)O1	REAL300020252289	1	46	0.0	-80.65	326.61	3.24	-77.41
O=C(N1CCCCC1CC1=N[N-]N=N1)C1(C(F)F)CC[NH2+]CC1	REAL300020252290	0	45	0.0	-52.57	308.36	3.50	-49.07
O=C(N1CCCCC1CC1=NN=N[N-]1)C1(C(F)F)CC[NH2+]CC1	REAL300020252290	1	45	0.0	-52.54	308.40	3.51	-49.03
O=C(C1C[NH2+]CC2=NC=CN2C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020252291	0	46	0.0	-61.18	332.81	3.77	-57.41
O=C(C1CNCC2=NC=CN2C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020252291	1	45	-1.0	-44.26	333.40	2.55	-41.71
O=C(C1C[NH2+]CC2=NC=CN2C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020252291	1	46	0.0	-61.18	332.86	3.78	-57.40
O=C(C1CNCC2=NC=CN2C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020252291	1	45	-1.0	-44.34	333.45	2.55	-41.79
O=C(C1=COC2=C1CNC2)N1CCCCC1CC1=N[N-]N=N1	REAL300020252292	0	39	-1.0	-52.16	300.79	1.43	-50.73
O=C(C1=COC2=C1CNC2)N1CCCCC1CC1=NN=N[N-]1	REAL300020252292	1	39	-1.0	-52.16	300.83	1.44	-50.72
O=C(C1=COC2=C1C[NH2+]C2)N1CCCCC1CC1=NN=N[N-]1	REAL300020252292	1	40	0.0	-68.15	306.75	3.10	-65.05
[NH3+]C1CCCC2C(C(=O)N3CCCCC3CC3=N[N-]N=N3)C21	REAL300020252293	0	46	0.0	-81.64	312.97	3.01	-78.63
[NH3+]C1CCCC2C(C(=O)N3CCCCC3CC3=NN=N[N-]3)C21	REAL300020252293	1	46	0.0	-81.65	313.02	3.03	-78.62
O=C(C1=CSC(CC2CCC[NH2+]C2)=N1)N1CCCCC1CC1=N[N-]N=N1	REAL300020252294	0	51	0.0	-72.86	384.15	5.37	-67.49
O=C(C1=CSC(CC2CCC[NH2+]C2)=N1)N1CCCCC1CC1=NN=N[N-]1	REAL300020252294	1	51	0.0	-72.86	384.20	5.39	-67.47
CC1=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)SC(CC2CC[NH2+]C2)=N1	REAL300020252295	0	51	0.0	-75.21	393.05	4.70	-70.51
CC1=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)SC(CC2CC[NH2+]C2)=N1	REAL300020252295	1	51	0.0	-75.21	393.09	4.71	-70.50
[NH3+]C(CC1=C2C=CC=CC2=NN1)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252296	0	48	0.0	-53.25	360.47	3.00	-50.25
[NH3+]C(CC1=C2C=CC=CC2=NN1)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252296	1	48	0.0	-53.25	360.52	3.01	-50.24
O=C([C@H]1[NH2+][C@H]2C[C@@H]1C[C@@H]2O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252297	0	44	0.0	-64.76	320.64	0.30	-64.46
O=C(CCNOCC1=CC=CC=C1)N1CCCCC1CC1=N[N-]N=N1	REAL300020252298	0	48	-1.0	-50.68	376.33	5.62	-45.06
O=C(CCNOCC1=CC=CC=C1)N1CCCCC1CC1=NN=N[N-]1	REAL300020252298	1	48	-1.0	-50.71	376.38	5.62	-45.09
[NH3+]CCCCC(CC(F)(F)F)C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252299	0	50	0.0	-74.48	368.24	4.08	-70.40
[NH3+]CCCCC(CC(F)(F)F)C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252299	1	50	0.0	-74.48	368.27	4.10	-70.38
O=C(C1C[NH2+]C2(C1)CCOCC2)N1CCCCC1CC1=N[N-]N=N1	REAL300020252300	0	50	0.0	-79.25	351.85	2.99	-76.26
O=C(C1C[NH2+]C2(C1)CCOCC2)N1CCCCC1CC1=NN=N[N-]1	REAL300020252300	1	50	0.0	-79.15	351.91	3.00	-76.15
CC1(C)COC(C(=O)N2CCCCC2CC2=N[N-]N=N2)C[NH2+]1	REAL300020252301	0	46	0.0	-74.12	327.72	3.16	-70.96
CC1(C)COC(C(=O)N2CCCCC2CC2=NN=N[N-]2)C[NH2+]1	REAL300020252301	1	46	0.0	-74.10	327.78	3.16	-70.94
O=C([O-])C1CC12CCC(C(=O)N1CCCCC1CC1=N[N-]N=N1)C2	REAL300020252302	0	45	-2.0	-99.70	340.77	7.05	-92.65
O=C([O-])C1CC12CCC(C(=O)N1CCCCC1CC1=NN=N[N-]1)C2	REAL300020252302	1	45	-2.0	-99.69	340.82	7.08	-92.61
[NH3+]C1CC2(C1)CC1(CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)C1)C2	REAL300020252303	0	53	0.0	-80.66	391.05	5.32	-75.34
[NH3+]C1CC2(C1)CC1(CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)C1)C2	REAL300020252303	1	53	0.0	-80.72	391.12	5.34	-75.38
O=C(C1=CC=NC2=C1C[NH2+]CC2)N1CCCCC1CC1=N[N-]N=N1	REAL300020252304	0	45	0.0	-63.51	330.43	3.50	-60.01
O=C(C1=CC=NC2=C1C[NH2+]CC2)N1CCCCC1CC1=NN=N[N-]1	REAL300020252304	1	45	0.0	-63.41	330.43	3.51	-59.90
COC1=CC=C(CC([NH3+])C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1OC	REAL300020252305	0	53	0.0	-58.30	396.16	3.68	-54.62
COC1=CC=C(CC([NH3+])C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1OC	REAL300020252305	1	53	0.0	-58.29	396.22	3.70	-54.59
COC1=CC=C(C([NH3+])CC(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020252306	0	48	0.0	-41.47	360.45	1.67	-39.80
COC1=CC=C(C([NH3+])CC(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020252306	1	48	0.0	-41.50	360.42	1.66	-39.84
N#CC1=CC=CC(CC([NH3+])C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020252307	0	46	0.0	-59.95	358.78	4.85	-55.10
N#CC1=CC=CC(CC([NH3+])C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020252307	1	46	0.0	-59.92	358.84	4.85	-55.07
CC(C)[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252308	0	48	0.0	-75.16	340.21	4.48	-70.68
CC(C)[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252308	1	48	0.0	-75.12	340.34	4.51	-70.61
COC(=O)C1=CC=C(C[C@H]([NH3+])C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020252309	0	51	0.0	-76.53	396.82	4.71	-71.82
COC(=O)C1=CC=C(C[C@H]([NH3+])C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020252309	1	51	0.0	-76.58	396.89	4.71	-71.87
O=C(C1C[NH2+]C2(CCC2)CO1)N1CCCCC1CC1=N[N-]N=N1	REAL300020252310	0	47	0.0	-77.64	335.81	3.63	-74.01
O=C(C1C[NH2+]C2(CCC2)CO1)N1CCCCC1CC1=NN=N[N-]1	REAL300020252310	1	47	0.0	-77.68	335.87	3.65	-74.03
O=C(C1CNC2(CCC2)CO1)N1CCCCC1CC1=N[N-]N=N1	REAL300020252310	1	46	-1.0	-54.06	333.93	2.43	-51.63
[NH3+]CCN1CCC(C(=O)N2CCCCC2CC2=N[N-]N=N2)CC1	REAL300020252311	0	50	0.0	-78.81	354.96	1.37	-77.44
[NH3+]CCN1CCC(C(=O)N2CCCCC2CC2=NN=N[N-]2)CC1	REAL300020252311	1	50	0.0	-78.85	355.01	1.40	-77.45
[NH3+]CCN1C=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020252312	0	42	0.0	-83.35	323.06	1.09	-82.26
[NH3+]CCN1C=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020252312	1	42	0.0	-83.37	323.02	1.08	-82.29
O=C(C1=CC(=O)NC2=C1C[NH2+]CC2)N1CCCCC1CC1=N[N-]N=N1	REAL300020252313	0	46	0.0	-91.15	346.17	2.39	-88.76
O=C(C1=CC(=O)NC2=C1C[NH2+]CC2)N1CCCCC1CC1=NN=N[N-]1	REAL300020252313	1	46	0.0	-91.19	346.23	2.40	-88.79
CN(C)C1C[NH2+]CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020252314	0	50	0.0	-70.21	352.05	1.98	-68.23
CN(C)C1C[NH2+]CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020252314	1	50	0.0	-70.22	352.10	1.99	-68.23
[NH3+][C@@H]1COC[C@H]1C(NC(=O)CCC1=N[N-]N=N1)C1=CC=CC=C1	REAL300020252315	0	43	0.0	-66.16	338.12	0.50	-65.66
[NH3+][C@@H]1COC[C@H]1C(NC(=O)CCC1=NN=N[N-]1)C1=CC=CC=C1	REAL300020252315	1	43	0.0	-66.16	338.17	0.51	-65.65
[NH3+]C[C@@H]1COC[C@H]1N1C=C(CNC(=O)CCC2=N[N-]N=N2)N=N1	REAL300020252316	0	42	0.0	-81.39	347.85	-2.78	-84.17
[NH3+]C[C@@H]1COC[C@H]1N1C=C(CNC(=O)CCC2=NN=N[N-]2)N=N1	REAL300020252316	1	42	0.0	-81.43	347.91	-2.76	-84.19
[NH3+]CC12CC(NC(=O)CCC3=N[N-]N=N3)(C1)C1(CCOCC1)O2	REAL300020252317	0	45	0.0	-69.25	344.48	-1.88	-71.13
[NH3+]CC12CC(NC(=O)CCC3=NN=N[N-]3)(C1)C1(CCOCC1)O2	REAL300020252317	1	45	0.0	-69.25	344.53	-1.87	-71.12
COC(=O)[C@@]1(F)CN(C(=O)CCC2=N[N-]N=N2)C[C@H]1C[NH3+]	REAL300020252318	0	38	0.0	-75.49	314.53	0.51	-74.98
COC(=O)[C@@]1(F)CN(C(=O)CCC2=NN=N[N-]2)C[C@H]1C[NH3+]	REAL300020252318	1	38	0.0	-75.49	314.59	0.53	-74.96
COC(=O)C(CC1CCCC[NH2+]1)NC(=O)CCC1=N[N-]N=N1	REAL300020252319	0	44	0.0	-62.65	348.74	3.82	-58.83
COC(=O)C(CC1CCCC[NH2+]1)NC(=O)CCC1=NN=N[N-]1	REAL300020252319	1	44	0.0	-62.65	348.79	3.84	-58.81
O=C(CCC1=N[N-]N=N1)N1CC[NH+](CC2CC[NH2+]CC2)CC1	REAL300020252320	0	48	1.0	-118.05	350.77	4.27	-113.78
O=C(CCC1=NN=N[N-]1)N1CC[NH+](CC2CC[NH2+]CC2)CC1	REAL300020252320	1	48	1.0	-118.06	350.82	4.28	-113.78
CCOC(=O)C12CC(CNC(=O)CCC3=N[N-]N=N3)(C1)OC21CC[NH2+]CC1	REAL300020252321	0	53	0.0	-63.62	411.24	2.37	-61.25
CCOC(=O)C12CC(CNC(=O)CCC3=NN=N[N-]3)(C1)OC21CC[NH2+]CC1	REAL300020252321	1	53	0.0	-63.63	411.30	2.37	-61.26
O=C(CCC1=NN=N[N-]1)NC1CCN(C(=O)[C@@H]2CCC[NH2+]2)CC1	REAL300020252322	0	46	0.0	-69.91	356.51	1.43	-68.48
CC(C)C([NH3+])C(NC(=O)CCC1=N[N-]N=N1)C1CCCCC1	REAL300020252323	0	50	0.0	-75.34	354.74	4.03	-71.31
CC(C)C([NH3+])C(NC(=O)CCC1=NN=N[N-]1)C1CCCCC1	REAL300020252323	1	50	0.0	-75.37	354.80	4.05	-71.32
O=C(CCC1=N[N-]N=N1)NCC(C1=CC=CC=C1)C1CC[NH2+]CC1	REAL300020252324	0	48	0.0	-69.15	372.29	4.59	-64.56
O=C(CCC1=NN=N[N-]1)NCC(C1=CC=CC=C1)C1CC[NH2+]CC1	REAL300020252324	1	48	0.0	-69.13	372.35	4.60	-64.53
CC([NH3+])C(NC(=O)CCC1=N[N-]N=N1)C1=CC2=CC=CC=C2C=C1	REAL300020252325	0	44	0.0	-56.79	350.66	3.96	-52.83
CC([NH3+])C(NC(=O)CCC1=NN=N[N-]1)C1=CC2=CC=CC=C2C=C1	REAL300020252325	1	44	0.0	-56.79	350.72	3.98	-52.81
CC(C)C([NH3+])C(NC(=O)CCC1=N[N-]N=N1)C1=CC=CC=C1	REAL300020252326	0	44	0.0	-63.75	334.70	2.91	-60.84
CC(C)C([NH3+])C(NC(=O)CCC1=NN=N[N-]1)C1=CC=CC=C1	REAL300020252326	1	44	0.0	-63.75	334.76	2.92	-60.83
O=C(CCC1=N[N-]N=N1)NC1C[NH2+]C(C2=CC=C(Br)C=C2)C1	REAL300020252327	0	39	0.0	-67.71	338.34	3.68	-64.03
O=C(CCC1=NN=N[N-]1)NC1C[NH2+]C(C2=CC=C(Br)C=C2)C1	REAL300020252327	1	39	0.0	-67.69	338.39	3.70	-63.99
O=C(CCC1=N[N-]N=N1)NCC1CCC2(CC[NH2+]CC2)CO1	REAL300020252328	0	46	0.0	-70.58	342.56	1.17	-69.41
O=C(CCC1=NN=N[N-]1)NCC1CCC2(CC[NH2+]CC2)CO1	REAL300020252328	1	46	0.0	-70.58	342.61	1.18	-69.40
[NH3+][C@@H]1CN(C(=O)CCC2=N[N-]N=N2)C[C@H]1C1=CC=C(F)C=C1	REAL300020252329	0	39	0.0	-75.30	322.82	2.85	-72.45
[NH3+][C@@H]1CN(C(=O)CCC2=NN=N[N-]2)C[C@H]1C1=CC=C(F)C=C1	REAL300020252329	1	39	0.0	-75.32	322.87	2.87	-72.45
COC(=O)C1(C[NH3+])CC2CN(C(=O)CCC3=N[N-]N=N3)CC2C1	REAL300020252330	0	45	0.0	-83.77	348.02	2.50	-81.27
COC(=O)C1(C[NH3+])CC2CN(C(=O)CCC3=NN=N[N-]3)CC2C1	REAL300020252330	1	45	0.0	-83.83	348.07	2.52	-81.31
CC([NH3+])C(CCC1=CC=CC=C1)NC(=O)CCC1=N[N-]N=N1	REAL300020252331	0	44	0.0	-69.61	349.10	3.15	-66.46
CC([NH3+])C(CCC1=CC=CC=C1)NC(=O)CCC1=NN=N[N-]1	REAL300020252331	1	44	0.0	-69.58	349.16	3.17	-66.41
[NH3+]CC1=CC=C2C(=C1)CCCC2NC(=O)CCC1=N[N-]N=N1	REAL300020252332	0	42	0.0	-71.69	331.76	2.44	-69.25
[NH3+]CC1=CC=C2C(=C1)CCCC2NC(=O)CCC1=NN=N[N-]1	REAL300020252332	1	42	0.0	-71.72	331.82	2.45	-69.27
O=C(CCC1=N[N-]N=N1)NC1=CC=C(CO)C2=C1CC[NH2+]C2	REAL300020252333	0	40	0.0	-80.33	317.76	0.23	-80.10
O=C(CCC1=NN=N[N-]1)NC1=CC=C(CO)C2=C1CC[NH2+]C2	REAL300020252333	1	40	0.0	-80.36	317.81	0.25	-80.11
NC1=C(C(F)F)N(C2CCN(C(=O)CCC3=N[N-]N=N3)CC2)N=C1	REAL300020252334	0	41	-1.0	-43.64	338.77	2.33	-41.31
NC1=C(C(F)F)N(C2CCN(C(=O)CCC3=NN=N[N-]3)CC2)N=C1	REAL300020252334	1	41	-1.0	-43.61	338.83	2.34	-41.27
[NH3+]CC(C1=CC=CC=C1)C1CCN(C(=O)CCC2=N[N-]N=N2)CC1	REAL300020252335	0	48	0.0	-86.46	358.41	4.51	-81.95
[NH3+]CC(C1=CC=CC=C1)C1CCN(C(=O)CCC2=NN=N[N-]2)CC1	REAL300020252335	1	48	0.0	-86.44	358.46	4.52	-81.92
NC1=CC=CC(N2C=NC3=CC=C(NC(=O)CCC4=NN=N[N-]4)C=C3C2=O)=C1	REAL300020252336	0	43	-1.0	-45.68	373.21	4.51	-41.17
NC1=CC=CC(N2C=NC3=CC=C(NC(=O)CCC4=N[N-]N=N4)C=C3C2=O)=C1	REAL300020252336	1	43	-1.0	-45.64	373.15	4.49	-41.15
COC1=CC=C2NCCC(NC(=O)CCC3=N[N-]N=N3)C2=C1	REAL300020252337	0	39	-1.0	-46.36	316.05	1.21	-45.15
COC1=CC=C2NCCC(NC(=O)CCC3=NN=N[N-]3)C2=C1	REAL300020252337	1	39	-1.0	-46.37	316.11	1.22	-45.15
CCOC(=O)C1NC2CC1CN(C(=O)CCC1=N[N-]N=N1)C2	REAL300020252338	0	41	-1.0	-45.46	310.27	2.74	-42.72
CCOC(=O)C1NC2CC1CN(C(=O)CCC1=NN=N[N-]1)C2	REAL300020252338	1	41	-1.0	-45.44	310.33	2.75	-42.69
CC1=CC(NC(=O)CCC2=N[N-]N=N2)=CC=C1N1CC[NH2+]CC1	REAL300020252339	0	44	0.0	-70.11	346.76	2.84	-67.27
CC1=CC(NC(=O)CCC2=NN=N[N-]2)=CC=C1N1CC[NH2+]CC1	REAL300020252339	1	44	0.0	-70.07	346.81	2.86	-67.21
NC1=C(C(F)(F)F)N(C2CCN(C(=O)CCC3=NN=N[N-]3)CC2)N=C1	REAL300020252340	0	41	-1.0	-41.75	345.32	2.47	-39.28
NC1=C(C(F)(F)F)N(C2CCN(C(=O)CCC3=N[N-]N=N3)CC2)N=C1	REAL300020252340	1	41	-1.0	-41.73	345.27	2.46	-39.27
O=C(CCC1=N[N-]N=N1)N=S1(=O)CCC2(CCC[NH2+]2)CC1	REAL300020252341	0	41	0.0	-90.30	319.70	1.12	-89.18
O=C(CCC1=NN=N[N-]1)N=S1(=O)CCC2(CCC[NH2+]2)CC1	REAL300020252341	1	41	0.0	-90.29	319.76	1.13	-89.16
CC12CC(NC(=O)CCC3=N[N-]N=N3)(C1)C1(CC[NH2+]CC1)O2	REAL300020252342	0	44	0.0	-68.42	332.98	0.66	-67.76
CC12CC(NC(=O)CCC3=NN=N[N-]3)(C1)C1(CC[NH2+]CC1)O2	REAL300020252342	1	44	0.0	-68.41	333.04	0.68	-67.73
O=C(CCC1=N[N-]N=N1)NCCC1[NH2+]CCC2=CC=CC=C21	REAL300020252343	0	42	0.0	-66.02	332.77	3.48	-62.54
O=C(CCC1=NN=N[N-]1)NCCC1[NH2+]CCC2=CC=CC=C21	REAL300020252343	1	42	0.0	-66.03	332.83	3.49	-62.54
O=C(CCC1=N[N-]N=N1)NCC1OC(=O)CC12CC[NH2+]CC2	REAL300020252344	0	42	0.0	-80.99	326.20	1.15	-79.84
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COC(=O)C1CC2(C1)CN(C(=O)CCC1=N[N-]N=N1)CC2C(=O)[O-]	REAL300020252378	0	41	-2.0	-92.18	347.58	4.94	-87.24
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O=C([O-])C=CC1=CC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)=CO1	REAL300020252394	1	33	-2.0	-91.01	307.43	5.51	-85.50
O=C([O-])C1=CC=C(C=CC(=O)NC2=CC=CC=C2C2=N[N-]N=N2)O1	REAL300020252395	0	33	-2.0	-99.31	309.51	5.83	-93.48
O=C([O-])C1=CC=C(C=CC(=O)NC2=CC=CC=C2C2=NN=N[N-]2)O1	REAL300020252395	1	33	-2.0	-99.30	309.55	5.82	-93.48
O=C([O-])CN1C=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1=O	REAL300020252396	0	35	-2.0	-117.92	313.24	5.72	-112.20
O=C([O-])CN1C=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1=O	REAL300020252396	1	35	-2.0	-117.83	313.33	5.72	-112.11
O=C([O-])CN1CCCC(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1=O	REAL300020252397	0	39	-2.0	-110.04	330.13	5.26	-104.78
O=C([O-])CN1CCCC(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1=O	REAL300020252397	1	39	-2.0	-110.06	330.17	5.26	-104.80
CC(C)(C(=O)[O-])C1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C=C1	REAL300020252398	0	41	-2.0	-90.46	342.04	7.66	-82.80
CC(C)(C(=O)[O-])C1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C=C1	REAL300020252398	1	41	-2.0	-90.34	342.09	7.66	-82.68
O=C([O-])[C@@H]1CCC[C@H](C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C1	REAL300020252399	0	38	-2.0	-94.42	316.30	6.28	-88.14
O=C([O-])[C@@H]1CCC[C@H](C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C1	REAL300020252399	1	38	-2.0	-94.44	316.34	6.28	-88.16
O=C([O-])C1=CC=C(C(=O)NC2=CC=CC=C2C2=N[N-]N=N2)C(Br)=C1	REAL300020252400	0	32	-2.0	-89.54	306.15	6.66	-82.88
O=C([O-])C1=CC=C(C(=O)NC2=CC=CC=C2C2=NN=N[N-]2)C(Br)=C1	REAL300020252400	1	32	-2.0	-89.50	306.20	6.66	-82.84
O=C([O-])[C@]12CN(C(=O)CCC3=N[N-]N=N3)C[C@H]1C1=CC=CC=C1OC2	REAL300020252401	0	40	-2.0	-94.35	336.09	4.95	-89.40
O=C([O-])[C@]12CN(C(=O)CCC3=NN=N[N-]3)C[C@H]1C1=CC=CC=C1OC2	REAL300020252401	1	40	-2.0	-94.30	336.14	4.97	-89.33
O=C([O-])C(CC1=CC=C([N+](=O)[O-])C=C1)NC(=O)CCC1=N[N-]N=N1	REAL300020252402	0	36	-2.0	-94.64	333.90	5.23	-89.41
O=C([O-])C(CC1=CC=C([N+](=O)[O-])C=C1)NC(=O)CCC1=NN=N[N-]1	REAL300020252402	1	36	-2.0	-94.64	333.95	5.24	-89.40
O=C([O-])C1CC(C(=O)N2CCCC2C2=N[N-]N=N2)=NN1C1=CC=CC=C1	REAL300020252403	0	41	-2.0	-110.24	348.40	5.38	-104.86
O=C([O-])C1CC(C(=O)N2CCCC2C2=NN=N[N-]2)=NN1C1=CC=CC=C1	REAL300020252403	1	41	-2.0	-110.25	348.46	5.41	-104.84
O=C([O-])COC1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020252404	0	36	-2.0	-98.45	310.74	4.43	-94.02
O=C([O-])COC1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020252404	1	36	-2.0	-98.45	310.80	4.45	-94.00
O=C([O-])COC1=CC=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=C1	REAL300020252405	0	36	-2.0	-110.03	310.23	4.39	-105.64
O=C([O-])COC1=CC=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=C1	REAL300020252405	1	36	-2.0	-110.02	310.29	4.41	-105.61
O=C([O-])CCC1CC(C(=O)N2CCCC2C2=N[N-]N=N2)CO1	REAL300020252406	0	39	-2.0	-102.30	319.60	3.11	-99.19
O=C([O-])CCC1CC(C(=O)N2CCCC2C2=NN=N[N-]2)CO1	REAL300020252406	1	39	-2.0	-102.27	319.66	3.13	-99.14
O=C([O-])C=CC1=CC(C(=O)N2CCCC2C2=N[N-]N=N2)=CO1	REAL300020252407	0	33	-2.0	-99.42	295.70	3.71	-95.71
O=C([O-])C=CC1=CC(C(=O)N2CCCC2C2=NN=N[N-]2)=CO1	REAL300020252407	1	33	-2.0	-99.46	295.76	3.71	-95.75
O=C([O-])C1=CC=C(C=CC(=O)N2CCCC2C2=N[N-]N=N2)O1	REAL300020252408	0	33	-2.0	-99.18	302.73	4.32	-94.86
O=C([O-])C1=CC=C(C=CC(=O)N2CCCC2C2=NN=N[N-]2)O1	REAL300020252408	1	33	-2.0	-99.13	302.79	4.34	-94.79
O=C([O-])CN1C=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C1=O	REAL300020252409	0	35	-2.0	-119.57	281.75	2.91	-116.66
O=C([O-])CN1C=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C1=O	REAL300020252409	1	35	-2.0	-119.61	281.85	2.91	-116.70
O=C([O-])CN1C=C(Br)C=C(C(=O)N2CCCC2C2=N[N-]N=N2)C1=O	REAL300020252410	0	35	-2.0	-104.76	335.32	4.45	-100.31
O=C([O-])CN1C=C(Br)C=C(C(=O)N2CCCC2C2=NN=N[N-]2)C1=O	REAL300020252410	1	35	-2.0	-104.74	335.38	4.47	-100.27
O=C([O-])CN1CCCC(C(=O)N2CCCC2C2=N[N-]N=N2)C1=O	REAL300020252411	0	39	-2.0	-142.65	326.32	4.09	-138.56
O=C([O-])CN1CCCC(C(=O)N2CCCC2C2=NN=N[N-]2)C1=O	REAL300020252411	1	39	-2.0	-142.67	326.37	4.11	-138.56
CC(C)(C(=O)[O-])C1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C=C1	REAL300020252412	0	41	-2.0	-101.05	334.58	5.82	-95.23
CC(C)(C(=O)[O-])C1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C=C1	REAL300020252412	1	41	-2.0	-101.07	334.64	5.84	-95.23
O=C([O-])C1=CC=C(C(=O)N2CCCC2C2=N[N-]N=N2)C(Br)=C1	REAL300020252413	0	32	-2.0	-100.86	289.81	4.25	-96.61
O=C([O-])C1=CC=C(C(=O)N2CCCC2C2=NN=N[N-]2)C(Br)=C1	REAL300020252413	1	32	-2.0	-100.89	289.87	4.26	-96.63
CSCC[C@H](NC(=O)C1=CC=CC(C(=O)[O-])=C1)C1=N[N-]N=N1	REAL300020252414	0	35	-2.0	-106.23	325.98	4.66	-101.57
CSCC[C@H](NC(=O)C1=CC=CC(C(=O)[O-])=C1)C1=NN=N[N-]1	REAL300020252414	1	35	-2.0	-106.21	326.04	4.68	-101.53
CSCC[C@H](NC(=O)C1=CC=C(C(=O)[O-])C=C1)C1=N[N-]N=N1	REAL300020252415	0	35	-2.0	-93.31	325.97	4.66	-88.65
CSCC[C@H](NC(=O)C1=CC=C(C(=O)[O-])C=C1)C1=NN=N[N-]1	REAL300020252415	1	35	-2.0	-93.29	326.03	4.68	-88.61
CSCC[C@H](NC(=O)C1=NN(C2=CC=CC=C2)C(C(=O)[O-])C1)C1=N[N-]N=N1	REAL300020252416	0	44	-2.0	-102.22	394.00	5.28	-96.94
CSCC[C@H](NC(=O)C1=NN(C2=CC=CC=C2)C(C(=O)[O-])C1)C1=NN=N[N-]1	REAL300020252416	1	44	-2.0	-102.25	394.06	5.29	-96.96
CSCC[C@H](NC(=O)C1=CC=C(C(=O)[O-])C=N1)C1=NN=N[N-]1	REAL300020252417	0	34	-2.0	-88.86	323.44	2.94	-85.92
CSCC[C@H](NC(=O)C1=CC=C(C(=O)[O-])C=N1)C1=N[N-]N=N1	REAL300020252417	1	34	-2.0	-88.85	323.38	2.93	-85.92
CSCC[C@H](NC(=O)C(C(=O)[O-])C(C)C)C1=N[N-]N=N1	REAL300020252418	0	37	-2.0	-106.76	321.42	3.74	-103.02
CSCC[C@H](NC(=O)C(C(=O)[O-])C(C)C)C1=NN=N[N-]1	REAL300020252418	1	37	-2.0	-106.78	321.48	3.75	-103.03
CSCC[C@H](NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)C1=N[N-]N=N1	REAL300020252419	0	38	-2.0	-103.31	334.42	4.20	-99.11
CSCC[C@H](NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)C1=NN=N[N-]1	REAL300020252419	1	38	-2.0	-103.35	334.48	4.21	-99.14
CSCC[C@H](NC(=O)CCCCC(=O)[O-])C1=N[N-]N=N1	REAL300020252420	0	37	-2.0	-96.09	334.28	4.04	-92.05
CSCC[C@H](NC(=O)CCCCC(=O)[O-])C1=NN=N[N-]1	REAL300020252420	1	37	-2.0	-96.09	334.34	4.05	-92.04
CSCC[C@H](NC(=O)C1=C(C(=O)[O-])C=NN1C)C1=NN=N[N-]1	REAL300020252421	0	35	-2.0	-97.23	332.09	2.08	-95.15
CSCC[C@H](NC(=O)C1=C(C(=O)[O-])C=NN1C)C1=N[N-]N=N1	REAL300020252421	1	35	-2.0	-97.21	332.04	2.07	-95.14
CCC(CC)(C(=O)[O-])C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020252422	0	40	-2.0	-111.71	340.67	3.95	-107.76
CCC(CC)(C(=O)[O-])C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020252422	1	40	-2.0	-111.68	340.73	3.97	-107.71
CSCC[C@H](NC(=O)C1(C(=O)[O-])CC=CCC1)C1=N[N-]N=N1	REAL300020252423	0	39	-2.0	-93.54	338.25	4.51	-89.03
CSCC[C@H](NC(=O)C1(C(=O)[O-])CC=CCC1)C1=NN=N[N-]1	REAL300020252423	1	39	-2.0	-93.49	338.31	4.51	-88.98
CSCC[C@H](NC(=O)C1=CC=C(C(=O)[O-])N=C1)C1=N[N-]N=N1	REAL300020252424	0	34	-2.0	-93.55	321.85	2.86	-90.69
CSCC[C@H](NC(=O)C1=CC=C(C(=O)[O-])N=C1)C1=NN=N[N-]1	REAL300020252424	1	34	-2.0	-93.54	321.91	2.88	-90.66
CSCC[C@H](NC(=O)C1(C(=O)[O-])CCCCC1)C1=N[N-]N=N1	REAL300020252425	0	41	-2.0	-93.82	342.89	4.82	-89.00
CSCC[C@H](NC(=O)C1(C(=O)[O-])CCCCC1)C1=NN=N[N-]1	REAL300020252425	1	41	-2.0	-93.74	342.95	4.84	-88.90
CSCC[C@H](NC(=O)C1=C(COCC(=O)[O-])OC=N1)C1=N[N-]N=N1	REAL300020252426	0	38	-2.0	-115.83	358.24	0.17	-115.66
CSCC[C@H](NC(=O)C1=C(COCC(=O)[O-])OC=N1)C1=NN=N[N-]1	REAL300020252426	1	38	-2.0	-115.83	358.30	0.18	-115.65
CSCC[C@H](NC(=O)C1(C(=O)[O-])CCCO1)C1=N[N-]N=N1	REAL300020252427	0	36	-2.0	-114.03	324.92	2.58	-111.45
CSCC[C@H](NC(=O)C1(C(=O)[O-])CCCO1)C1=NN=N[N-]1	REAL300020252427	1	36	-2.0	-113.99	324.97	2.59	-111.40
CSCC[C@H](NC(=O)C1(C(=O)[O-])CC=CC1)C1=N[N-]N=N1	REAL300020252428	0	36	-2.0	-93.15	322.44	4.18	-88.97
CSCC[C@H](NC(=O)C1(C(=O)[O-])CC=CC1)C1=NN=N[N-]1	REAL300020252428	1	36	-2.0	-93.18	322.50	4.19	-88.99
CSCC[C@H](NC(=O)C(C(=O)[O-])C(C)(C)C)C1=N[N-]N=N1	REAL300020252429	0	40	-2.0	-106.96	335.03	4.20	-102.76
CSCC[C@H](NC(=O)C(C(=O)[O-])C(C)(C)C)C1=NN=N[N-]1	REAL300020252429	1	40	-2.0	-106.96	335.09	4.22	-102.74
CSCC[C@H](NC(=O)C1(C(=O)[O-])CC2CCC1C2)C1=N[N-]N=N1	REAL300020252430	0	42	-2.0	-116.25	351.21	4.89	-111.36
CSCC[C@H](NC(=O)C1(C(=O)[O-])CC2CCC1C2)C1=NN=N[N-]1	REAL300020252430	1	42	-2.0	-116.21	351.27	4.90	-111.31
CSCC[C@H](NC(=O)C1CCC(C(=O)[O-])CC1)C1=N[N-]N=N1	REAL300020252431	0	41	-2.0	-96.51	352.10	4.89	-91.62
CSCC[C@H](NC(=O)C1CCC(C(=O)[O-])CC1)C1=NN=N[N-]1	REAL300020252431	1	41	-2.0	-96.45	352.16	4.90	-91.55
CSCC[C@H](NC(=O)C1(C(=O)[O-])CCOCC1)C1=N[N-]N=N1	REAL300020252432	0	39	-2.0	-91.50	334.25	2.45	-89.05
CSCC[C@H](NC(=O)C1(C(=O)[O-])CCOCC1)C1=NN=N[N-]1	REAL300020252432	1	39	-2.0	-91.48	334.31	2.47	-89.01
CSCC[C@H](NC(=O)C1(C(=O)[O-])C(C)(C)C1(C)C)C1=N[N-]N=N1	REAL300020252433	0	44	-2.0	-96.00	362.02	5.00	-91.00
CSCC[C@H](NC(=O)C1(C(=O)[O-])C(C)(C)C1(C)C)C1=NN=N[N-]1	REAL300020252433	1	44	-2.0	-96.01	362.08	5.01	-91.00
CSCC[C@H](NC(=O)C1=CC=C(OCC(=O)[O-])C=C1)C1=N[N-]N=N1	REAL300020252434	0	39	-2.0	-93.19	356.98	4.95	-88.24
CSCC[C@H](NC(=O)C1=CC=C(OCC(=O)[O-])C=C1)C1=NN=N[N-]1	REAL300020252434	1	39	-2.0	-93.18	357.04	4.96	-88.22
CSCC[C@H](NC(=O)C1=CC=CC(OCC(=O)[O-])=C1)C1=N[N-]N=N1	REAL300020252435	0	39	-2.0	-102.56	357.06	4.93	-97.63
CSCC[C@H](NC(=O)C1=CC=CC(OCC(=O)[O-])=C1)C1=NN=N[N-]1	REAL300020252435	1	39	-2.0	-102.56	357.11	4.95	-97.61
COC(C)(C(=O)[O-])C(=O)N[C@@H](CCSC)C1=N[N-]N=N1	REAL300020252436	0	35	-2.0	-93.65	311.56	2.72	-90.93
COC(C)(C(=O)[O-])C(=O)N[C@@H](CCSC)C1=NN=N[N-]1	REAL300020252436	1	35	-2.0	-93.65	311.62	2.73	-90.92
CSCC[C@H](NC(=O)C1(C(=O)[O-])CC1(C)C)C1=N[N-]N=N1	REAL300020252437	0	38	-2.0	-94.28	331.95	4.36	-89.92
CSCC[C@H](NC(=O)C1(C(=O)[O-])CC1(C)C)C1=NN=N[N-]1	REAL300020252437	1	38	-2.0	-94.29	332.01	4.38	-89.91
CSCC[C@H](NC(=O)C(C(=O)[O-])C1CCCC1)C1=N[N-]N=N1	REAL300020252438	0	41	-2.0	-108.06	346.50	5.05	-103.01
CSCC[C@H](NC(=O)C(C(=O)[O-])C1CCCC1)C1=NN=N[N-]1	REAL300020252438	1	41	-2.0	-108.05	346.56	5.07	-102.98
CSCC[C@H](NC(=O)C1(C(=O)[O-])CCCCCC1)C1=N[N-]N=N1	REAL300020252439	0	44	-2.0	-115.95	343.51	5.32	-110.63
CSCC[C@H](NC(=O)C1(C(=O)[O-])CCCCCC1)C1=NN=N[N-]1	REAL300020252439	1	44	-2.0	-115.99	343.57	5.34	-110.65
CSCC[C@H](NC(=O)C1(C(=O)[O-])CCSCC1)C1=N[N-]N=N1	REAL300020252440	0	39	-2.0	-90.56	337.85	4.68	-85.88
CSCC[C@H](NC(=O)C1(C(=O)[O-])CCSCC1)C1=NN=N[N-]1	REAL300020252440	1	39	-2.0	-90.55	337.91	4.69	-85.86
CSCC[C@H](NC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1)C1=N[N-]N=N1	REAL300020252441	0	41	-2.0	-93.12	358.48	0.97	-92.15
CSCC[C@H](NC(=O)C1(C(=O)[O-])CCS(=O)(=O)CC1)C1=NN=N[N-]1	REAL300020252441	1	41	-2.0	-93.14	358.54	0.98	-92.16
CSCC[C@H](NC(=O)C1=CN(CC(=O)[O-])N=N1)C1=N[N-]N=N1	REAL300020252442	0	34	-2.0	-96.44	327.14	1.32	-95.12
CSCC[C@H](NC(=O)C1=CN(CC(=O)[O-])N=N1)C1=NN=N[N-]1	REAL300020252442	1	34	-2.0	-96.48	327.20	1.34	-95.14
CSCC[C@H](NC(=O)C1=CC(C(=O)[O-])=NN1C)C1=NN=N[N-]1	REAL300020252443	0	35	-2.0	-95.66	328.38	2.33	-93.33
CSCC[C@H](NC(=O)C1=CC(C(=O)[O-])=NN1C)C1=N[N-]N=N1	REAL300020252443	1	35	-2.0	-95.64	328.32	2.32	-93.32
CSCC[C@H](NC(=O)C1COC(CCC(=O)[O-])C1)C1=N[N-]N=N1	REAL300020252444	0	42	-2.0	-95.54	367.23	3.35	-92.19
CSCC[C@H](NC(=O)C1COC(CCC(=O)[O-])C1)C1=NN=N[N-]1	REAL300020252444	1	42	-2.0	-95.57	367.29	3.36	-92.21
CSCC[C@H](NC(=O)C1=COC(C=CC(=O)[O-])=C1)C1=N[N-]N=N1	REAL300020252445	0	36	-2.0	-97.95	343.40	4.13	-93.82
CSCC[C@H](NC(=O)C1=COC(C=CC(=O)[O-])=C1)C1=NN=N[N-]1	REAL300020252445	1	36	-2.0	-97.98	343.46	4.14	-93.84
CSCC[C@H](NC(=O)C=CC1=CC=C(C(=O)[O-])O1)C1=N[N-]N=N1	REAL300020252446	0	36	-2.0	-94.82	346.58	4.45	-90.37
CSCC[C@H](NC(=O)C=CC1=CC=C(C(=O)[O-])O1)C1=NN=N[N-]1	REAL300020252446	1	36	-2.0	-94.82	346.64	4.47	-90.35
CSCC[C@H](NC(=O)C1=CC=CN(CC(=O)[O-])C1=O)C1=N[N-]N=N1	REAL300020252447	0	38	-2.0	-105.79	349.91	4.35	-101.44
CSCC[C@H](NC(=O)C1=CC=CN(CC(=O)[O-])C1=O)C1=NN=N[N-]1	REAL300020252447	1	38	-2.0	-105.80	349.97	4.36	-101.44
CSCC[C@H](NC(=O)C1CCCN(CC(=O)[O-])C1=O)C1=N[N-]N=N1	REAL300020252448	0	42	-2.0	-101.43	366.90	3.93	-97.50
CSCC[C@H](NC(=O)C1CCCN(CC(=O)[O-])C1=O)C1=NN=N[N-]1	REAL300020252448	1	42	-2.0	-101.43	366.96	3.94	-97.49
CSCC[C@H](NC(=O)C12CC(C(=O)[O-])(C1)C2)C1=N[N-]N=N1	REAL300020252449	0	36	-2.0	-94.64	329.41	4.22	-90.42
CSCC[C@H](NC(=O)C12CC(C(=O)[O-])(C1)C2)C1=NN=N[N-]1	REAL300020252449	1	36	-2.0	-94.63	329.47	4.23	-90.40
CSCC[C@H](NC(=O)C1=CC(C(=O)[O-])=NN1)C1=N[N-]N=N1	REAL300020252450	0	32	-2.0	-96.92	309.84	1.07	-95.85
CSCC[C@H](NC(=O)C1=CC(C(=O)[O-])=NN1)C1=NN=N[N-]1	REAL300020252450	1	32	-2.0	-96.89	309.90	1.08	-95.81
CSCC[C@H](NC(=O)C1=CC=C(C(C)(C)C(=O)[O-])C=C1)C1=N[N-]N=N1	REAL300020252451	0	44	-2.0	-100.19	380.81	6.31	-93.88
CSCC[C@H](NC(=O)C1=CC=C(C(C)(C)C(=O)[O-])C=C1)C1=NN=N[N-]1	REAL300020252451	1	44	-2.0	-100.20	380.87	6.33	-93.87
CSCC[C@H](NC(=O)C1(C(=O)[O-])CCCC1)C1=N[N-]N=N1	REAL300020252452	0	38	-2.0	-93.60	330.19	4.31	-89.29
CSCC[C@H](NC(=O)C1(C(=O)[O-])CCCC1)C1=NN=N[N-]1	REAL300020252452	1	38	-2.0	-93.62	330.25	4.32	-89.30
CSCC[C@H](NC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1)C1=N[N-]N=N1	REAL300020252453	0	41	-2.0	-107.05	352.09	4.89	-102.16
CSCC[C@H](NC(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1)C1=NN=N[N-]1	REAL300020252453	1	41	-2.0	-107.06	352.15	4.90	-102.16
CC(C)(C(=O)[O-])C1=CC=C(NC(=O)CCC2=N[N-]N=N2)C=C1	REAL300020252454	0	37	-2.0	-93.70	315.10	4.80	-88.90
CC(C)(C(=O)[O-])C1=CC=C(NC(=O)CCC2=NN=N[N-]2)C=C1	REAL300020252454	1	37	-2.0	-93.66	315.16	4.82	-88.84
O=C([O-])CN1C=CC2=C(NC(=O)CCC3=N[N-]N=N3)C=CC=C21	REAL300020252455	0	35	-2.0	-89.13	315.37	5.41	-83.72
O=C([O-])CN1C=CC2=C(NC(=O)CCC3=NN=N[N-]3)C=CC=C21	REAL300020252455	1	35	-2.0	-89.12	315.42	5.42	-83.70
O=C([O-])C1=CC(NC(=O)CCC2=N[N-]N=N2)=CC(Br)=C1	REAL300020252456	0	28	-2.0	-97.82	281.57	3.75	-94.07
O=C([O-])C1=CC(NC(=O)CCC2=NN=N[N-]2)=CC(Br)=C1	REAL300020252456	1	28	-2.0	-97.83	281.62	3.77	-94.06
CC1(C)C2CCC1(C(=O)[O-])C(NC(=O)CCC1=N[N-]N=N1)C2	REAL300020252457	0	41	-2.0	-114.07	319.99	4.49	-109.58
CC1(C)C2CCC1(C(=O)[O-])C(NC(=O)CCC1=NN=N[N-]1)C2	REAL300020252457	1	41	-2.0	-114.01	320.05	4.51	-109.50
CC(C)(CC1=CC=C(CNC(=O)CCC2=N[N-]N=N2)C=C1)C(=O)[O-]	REAL300020252458	0	43	-2.0	-87.92	361.29	5.64	-82.28
CC(C)(CC1=CC=C(CNC(=O)CCC2=NN=N[N-]2)C=C1)C(=O)[O-]	REAL300020252458	1	43	-2.0	-87.93	361.35	5.66	-82.27
O=C([O-])C1=CC=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020252459	0	38	-2.0	-108.12	308.48	5.95	-102.17
O=C([O-])C1=CC=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020252459	1	38	-2.0	-108.13	308.51	5.94	-102.19
O=C([O-])C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020252460	0	38	-2.0	-99.18	306.58	5.89	-93.29
O=C([O-])C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020252460	1	38	-2.0	-99.26	306.59	5.91	-93.35
O=C([O-])C1CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=NN1C1=CC=CC=C1	REAL300020252461	0	47	-2.0	-114.52	372.52	7.16	-107.36
O=C([O-])C1CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=NN1C1=CC=CC=C1	REAL300020252461	1	47	-2.0	-114.53	372.56	7.16	-107.37
O=C([O-])C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)N=C1	REAL300020252462	0	37	-2.0	-95.37	301.81	5.00	-90.37
O=C([O-])C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)N=C1	REAL300020252462	1	37	-2.0	-95.38	301.76	4.99	-90.39
O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020252463	0	41	-2.0	-106.42	316.95	5.36	-101.06
O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020252463	1	41	-2.0	-106.40	317.02	5.38	-101.02
O=C([O-])C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=N1	REAL300020252464	0	37	-2.0	-100.75	306.41	4.31	-96.44
O=C([O-])C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=N1	REAL300020252464	1	37	-2.0	-100.78	306.45	4.32	-96.46
O=C([O-])C1CCC(C(=O)N2CCCCC2CC2=N[N-]N=N2)CC1	REAL300020252465	0	44	-2.0	-135.32	320.60	6.21	-129.11
O=C([O-])C1CCC(C(=O)N2CCCCC2CC2=NN=N[N-]2)CC1	REAL300020252465	1	44	-2.0	-135.35	320.63	6.22	-129.13
O=C([O-])COC1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020252466	0	42	-2.0	-97.43	337.59	6.16	-91.27
O=C([O-])COC1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020252466	1	42	-2.0	-97.40	337.60	6.18	-91.22
O=C([O-])COC1=CC=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020252467	0	42	-2.0	-104.01	339.52	6.22	-97.79
O=C([O-])COC1=CC=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020252467	1	42	-2.0	-103.99	339.55	6.21	-97.78
O=C([O-])CN1C=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)N=N1	REAL300020252468	0	37	-2.0	-97.02	305.31	3.21	-93.81
O=C([O-])CN1C=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)N=N1	REAL300020252468	1	37	-2.0	-97.03	305.37	3.22	-93.81
CN1N=C(C(=O)[O-])C=C1C(=O)N1CCCCC1CC1=NN=N[N-]1	REAL300020252469	0	38	-2.0	-96.57	311.24	3.57	-93.00
CN1N=C(C(=O)[O-])C=C1C(=O)N1CCCCC1CC1=N[N-]N=N1	REAL300020252469	1	38	-2.0	-96.57	311.11	3.54	-93.03
O=C([O-])CCC1CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)CO1	REAL300020252470	0	45	-2.0	-101.67	345.08	4.94	-96.73
O=C([O-])CCC1CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)CO1	REAL300020252470	1	45	-2.0	-101.66	345.13	4.95	-96.71
O=C([O-])C=CC1=CC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=CO1	REAL300020252471	0	39	-2.0	-101.26	322.97	5.25	-96.01
O=C([O-])C=CC1=CC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=CO1	REAL300020252471	1	39	-2.0	-101.30	323.01	5.28	-96.02
O=C([O-])C1=CC=C(C=CC(=O)N2CCCCC2CC2=N[N-]N=N2)O1	REAL300020252472	0	39	-2.0	-97.87	326.21	6.08	-91.79
O=C([O-])C1=CC=C(C=CC(=O)N2CCCCC2CC2=NN=N[N-]2)O1	REAL300020252472	1	39	-2.0	-97.93	326.26	6.08	-91.85
O=C([O-])CN1C=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C1=O	REAL300020252473	0	41	-2.0	-116.31	332.70	5.37	-110.94
O=C([O-])CN1C=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C1=O	REAL300020252473	1	41	-2.0	-116.30	332.75	5.37	-110.93
O=C([O-])CN1CCCC(C(=O)N2CCCCC2CC2=N[N-]N=N2)C1=O	REAL300020252474	0	45	-2.0	-111.58	344.65	4.94	-106.64
O=C([O-])CN1CCCC(C(=O)N2CCCCC2CC2=NN=N[N-]2)C1=O	REAL300020252474	1	45	-2.0	-111.56	344.70	4.95	-106.61
O=C([O-])C12CC(C(=O)N3CCCCC3CC3=N[N-]N=N3)(C1)C2	REAL300020252475	0	39	-2.0	-102.71	305.07	5.67	-97.04
O=C([O-])C12CC(C(=O)N3CCCCC3CC3=NN=N[N-]3)(C1)C2	REAL300020252475	1	39	-2.0	-102.72	305.12	5.67	-97.05
O=C([O-])C1=NNC(C(=O)N2CCCCC2CC2=N[N-]N=N2)=C1	REAL300020252476	0	35	-2.0	-105.00	288.76	2.67	-102.33
O=C([O-])C1=NNC(C(=O)N2CCCCC2CC2=NN=N[N-]2)=C1	REAL300020252476	1	35	-2.0	-104.94	288.81	2.67	-102.27
CC(C)(C(=O)[O-])C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C=C1	REAL300020252477	0	47	-2.0	-98.82	359.68	7.51	-91.31
CC(C)(C(=O)[O-])C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C=C1	REAL300020252477	1	47	-2.0	-98.81	359.69	7.53	-91.28
O=C([O-])[C@@H]1CCC[C@H](C(=O)N2CCCCC2CC2=N[N-]N=N2)C1	REAL300020252478	0	44	-2.0	-120.70	328.84	6.16	-114.54
O=C([O-])[C@@H]1CCC[C@H](C(=O)N2CCCCC2CC2=NN=N[N-]2)C1	REAL300020252478	1	44	-2.0	-120.73	328.90	6.18	-114.55
O=C([O-])C1=CC=C(C(=O)N2CCCCC2CC2=N[N-]N=N2)C(Br)=C1	REAL300020252479	0	38	-2.0	-96.31	324.20	6.44	-89.87
O=C([O-])C1=CC=C(C(=O)N2CCCCC2CC2=NN=N[N-]2)C(Br)=C1	REAL300020252479	1	38	-2.0	-96.39	324.16	6.46	-89.93
O=C([O-])C1(C(F)(F)F)CCN(C(=O)CCC2=N[N-]N=N2)C1	REAL300020252480	0	31	-2.0	-85.14	282.45	3.31	-81.83
O=C([O-])C1(C(F)(F)F)CCN(C(=O)CCC2=NN=N[N-]2)C1	REAL300020252480	1	31	-2.0	-85.10	282.51	3.32	-81.78